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Short range contacts

PDB ID : 2TRX.pdb    Chain : A

Residue name	Residue number	Chain	Contacting residue	Residue number	Chain	Distance
SER	1	A	ASP	2	A	3.809
SER	1	A	LYS	3	A	5.573
ASP	2	A	LYS	3	A	3.808
ASP	2	A	ILE	4	A	5.772
LYS	3	A	ILE	4	A	3.801
LYS	3	A	ILE	5	A	6.554
ILE	4	A	ILE	5	A	3.815
ILE	4	A	HIS	6	A	6.443
ILE	5	A	HIS	6	A	3.805
ILE	5	A	HIS	6	A	3.794
HIS	6	A	HIS	6	A	0.386
HIS	6	A	LEU	7	A	3.827
HIS	6	A	LEU	7	A	3.803
HIS	6	A	THR	8	A	6.983
LEU	7	A	THR	8	A	3.776
LEU	7	A	ASP	9	A	6.915
THR	8	A	ASP	9	A	3.764
THR	8	A	ASP	10	A	5.371
ASP	9	A	ASP	10	A	3.813
ASP	9	A	SER	11	A	5.645
ASP	10	A	SER	11	A	3.775
ASP	10	A	PHE	12	A	5.637
SER	11	A	PHE	12	A	3.806
SER	11	A	ASP	13	A	5.737
PHE	12	A	ASP	13	A	3.790
PHE	12	A	THR	14	A	5.579
ASP	13	A	THR	14	A	3.803
ASP	13	A	ASP	15	A	5.664
THR	14	A	ASP	15	A	3.800
THR	14	A	VAL	16	A	5.931
ASP	15	A	VAL	16	A	3.798
ASP	15	A	LEU	17	A	6.260
VAL	16	A	LEU	17	A	3.772
VAL	16	A	LYS	18	A	5.544
LEU	17	A	LYS	18	A	3.796
LEU	17	A	ALA	19	A	5.556
LYS	18	A	ALA	19	A	3.807
LYS	18	A	ASP	20	A	6.604
ALA	19	A	ASP	20	A	3.769
ALA	19	A	GLY	21	A	6.144
ASP	20	A	GLY	21	A	3.839
ASP	20	A	ALA	22	A	6.937
GLY	21	A	ALA	22	A	3.781
GLY	21	A	ILE	23	A	6.539
ALA	22	A	ILE	23	A	3.796
ALA	22	A	LEU	24	A	6.757
ILE	23	A	LEU	24	A	3.824
ILE	23	A	VAL	25	A	6.382
LEU	24	A	VAL	25	A	3.824
LEU	24	A	ASP	26	A	6.652
VAL	25	A	ASP	26	A	3.839
VAL	25	A	PHE	27	A	6.504
ASP	26	A	PHE	27	A	3.855
ASP	26	A	TRP	28	A	6.178
PHE	27	A	TRP	28	A	3.834
PHE	27	A	ALA	29	A	7.318
TRP	28	A	ALA	29	A	3.806
TRP	28	A	GLU	30	A	6.930
ALA	29	A	GLU	30	A	3.755
ALA	29	A	TRP	31	A	5.530
GLU	30	A	TRP	31	A	3.792
GLU	30	A	CYS	32	A	5.390
TRP	31	A	CYS	32	A	3.828
TRP	31	A	GLY	33	A	6.247
CYS	32	A	GLY	33	A	3.779
CYS	32	A	PRO	34	A	5.755
GLY	33	A	PRO	34	A	3.813
GLY	33	A	CYS	35	A	5.314
PRO	34	A	CYS	35	A	3.817
PRO	34	A	LYS	36	A	5.403
CYS	35	A	LYS	36	A	3.792
CYS	35	A	MET	37	A	5.379
LYS	36	A	MET	37	A	3.818
LYS	36	A	ILE	38	A	5.534
MET	37	A	ILE	38	A	3.825
MET	37	A	ALA	39	A	5.694
ILE	38	A	ALA	39	A	3.828
ILE	38	A	PRO	40	A	5.598
ALA	39	A	PRO	40	A	3.823
ALA	39	A	ILE	41	A	5.453
PRO	40	A	ILE	41	A	3.779
PRO	40	A	LEU	42	A	5.324
ILE	41	A	LEU	42	A	3.812
ILE	41	A	ASP	43	A	5.357
LEU	42	A	ASP	43	A	3.821
LEU	42	A	GLU	44	A	5.428
ASP	43	A	GLU	44	A	3.801
ASP	43	A	ILE	45	A	5.446
GLU	44	A	ILE	45	A	3.804
GLU	44	A	ALA	46	A	5.441
ILE	45	A	ALA	46	A	3.836
ILE	45	A	ASP	47	A	5.361
ALA	46	A	ASP	47	A	3.817
ALA	46	A	GLU	48	A	5.669
ASP	47	A	GLU	48	A	3.789
ASP	47	A	TYR	49	A	5.607
GLU	48	A	TYR	49	A	3.806
GLU	48	A	GLN	50	A	5.675
TYR	49	A	GLN	50	A	3.801
TYR	49	A	GLY	51	A	6.118
GLN	50	A	GLY	51	A	3.763
GLN	50	A	LYS	52	A	5.550
GLY	51	A	LYS	52	A	3.853
GLY	51	A	LEU	53	A	5.895
LYS	52	A	LEU	53	A	3.799
LYS	52	A	THR	54	A	7.110
LEU	53	A	THR	54	A	3.813
LEU	53	A	VAL	55	A	6.489
THR	54	A	VAL	55	A	3.804
THR	54	A	ALA	56	A	6.599
VAL	55	A	ALA	56	A	3.807
VAL	55	A	LYS	57	A	7.143
ALA	56	A	LYS	57	A	3.819
ALA	56	A	LEU	58	A	6.998
LYS	57	A	LEU	58	A	3.778
LYS	57	A	ASN	59	A	6.492
LEU	58	A	ASN	59	A	3.799
LEU	58	A	ILE	60	A	6.039
ASN	59	A	ILE	60	A	3.806
ASN	59	A	ASP	61	A	5.637
ILE	60	A	ASP	61	A	3.834
ILE	60	A	GLN	62	A	5.402
ASP	61	A	GLN	62	A	3.790
ASP	61	A	ASN	63	A	5.693
GLN	62	A	ASN	63	A	3.843
GLN	62	A	PRO	64	A	6.226
ASN	63	A	PRO	64	A	3.786
ASN	63	A	GLY	65	A	5.693
PRO	64	A	GLY	65	A	3.812
PRO	64	A	THR	66	A	5.937
GLY	65	A	THR	66	A	3.792
GLY	65	A	ALA	67	A	6.099
THR	66	A	ALA	67	A	3.828
THR	66	A	PRO	68	A	5.593
ALA	67	A	PRO	68	A	3.819
ALA	67	A	LYS	69	A	5.433
PRO	68	A	LYS	69	A	3.787
PRO	68	A	TYR	70	A	5.395
LYS	69	A	TYR	70	A	3.814
LYS	69	A	GLY	71	A	5.578
TYR	70	A	GLY	71	A	3.797
TYR	70	A	ILE	72	A	5.488
GLY	71	A	ILE	72	A	3.809
GLY	71	A	ARG	73	A	6.208
ILE	72	A	ARG	73	A	3.784
ILE	72	A	GLY	74	A	5.987
ARG	73	A	GLY	74	A	3.825
ARG	73	A	ILE	75	A	7.205
GLY	74	A	ILE	75	A	3.826
GLY	74	A	PRO	76	A	6.391
ILE	75	A	PRO	76	A	2.887
ILE	75	A	THR	77	A	4.859
PRO	76	A	THR	77	A	3.784
PRO	76	A	LEU	78	A	6.604
THR	77	A	LEU	78	A	3.820
THR	77	A	LEU	79	A	6.569
LEU	78	A	LEU	79	A	3.834
LEU	78	A	LEU	80	A	6.587
LEU	79	A	LEU	80	A	3.829
LEU	79	A	PHE	81	A	6.292
LEU	80	A	PHE	81	A	3.845
LEU	80	A	LYS	82	A	6.801
PHE	81	A	LYS	82	A	3.790
PHE	81	A	ASN	83	A	6.726
LYS	82	A	ASN	83	A	3.820
LYS	82	A	GLY	84	A	5.597
ASN	83	A	GLY	84	A	3.811
ASN	83	A	GLU	85	A	5.683
GLY	84	A	GLU	85	A	3.761
GLY	84	A	VAL	86	A	7.077
GLU	85	A	VAL	86	A	3.783
GLU	85	A	ALA	87	A	6.163
VAL	86	A	ALA	87	A	3.807
VAL	86	A	ALA	88	A	5.761
ALA	87	A	ALA	88	A	3.838
ALA	87	A	THR	89	A	7.175
ALA	88	A	THR	89	A	3.777
ALA	88	A	LYS	90	A	7.043
THR	89	A	LYS	90	A	3.786
THR	89	A	VAL	91	A	6.719
LYS	90	A	VAL	91	A	3.795
LYS	90	A	GLY	92	A	6.661
VAL	91	A	GLY	92	A	3.809
VAL	91	A	ALA	93	A	7.026
GLY	92	A	ALA	93	A	3.769
GLY	92	A	LEU	94	A	6.574
ALA	93	A	LEU	94	A	3.798
ALA	93	A	SER	95	A	7.112
LEU	94	A	SER	95	A	3.800
LEU	94	A	LYS	96	A	6.748
SER	95	A	LYS	96	A	3.778
SER	95	A	GLY	97	A	5.415
LYS	96	A	GLY	97	A	3.829
LYS	96	A	GLN	98	A	5.491
GLY	97	A	GLN	98	A	3.827
GLY	97	A	LEU	99	A	5.433
GLN	98	A	LEU	99	A	3.803
GLN	98	A	LYS	100	A	5.444
LEU	99	A	LYS	100	A	3.801
LEU	99	A	GLU	101	A	5.430
LYS	100	A	GLU	101	A	3.794
LYS	100	A	PHE	102	A	5.421
GLU	101	A	PHE	102	A	3.788
GLU	101	A	LEU	103	A	5.393
PHE	102	A	LEU	103	A	3.834
PHE	102	A	ASP	104	A	5.645
LEU	103	A	ASP	104	A	3.781
LEU	103	A	ALA	105	A	5.373
ASP	104	A	ALA	105	A	3.830
ASP	104	A	ASN	106	A	5.352
ALA	105	A	ASN	106	A	3.780
ALA	105	A	LEU	107	A	6.114
ASN	106	A	LEU	107	A	3.788
ASN	106	A	ALA	108	A	5.573
LEU	107	A	ALA	108	A	3.802

PDB ID : 2TRX.pdb     Chain : A

Residue name	Residue number	Chain	Contacting residue	Residue number	Chain	Distance
SER	1	A	ILE	4	A	5.532
ILE	4	A	HIS	6	A	6.303
ILE	5	A	LEU	7	A	6.185
HIS	6	A	THR	8	A	6.952
LEU	7	A	SER	11	A	6.115
THR	8	A	SER	11	A	5.119
THR	8	A	PHE	12	A	6.027
ASP	9	A	PHE	12	A	5.535
ASP	10	A	ASP	13	A	7.232
SER	11	A	THR	14	A	5.491
SER	11	A	ASP	15	A	5.922
PHE	12	A	ASP	15	A	5.314
PHE	12	A	VAL	16	A	5.452
ASP	13	A	VAL	16	A	5.533
ASP	13	A	LEU	17	A	4.707
THR	14	A	LEU	17	A	6.119
THR	14	A	LYS	18	A	5.515
ASP	15	A	LYS	18	A	6.188
ASP	15	A	ALA	19	A	5.762
VAL	16	A	ALA	19	A	4.952
ALA	19	A	ALA	22	A	7.510
ALA	19	A	ILE	23	A	7.319
TRP	28	A	CYS	32	A	6.842
ALA	29	A	CYS	32	A	5.404
GLU	30	A	GLY	33	A	7.705
CYS	32	A	CYS	35	A	5.222
CYS	32	A	LYS	36	A	6.544
GLY	33	A	LYS	36	A	5.295
GLY	33	A	MET	37	A	6.415
PRO	34	A	MET	37	A	4.865
PRO	34	A	ILE	38	A	6.544
CYS	35	A	ILE	38	A	5.546
CYS	35	A	ALA	39	A	6.507
LYS	36	A	ALA	39	A	5.215
LYS	36	A	PRO	40	A	7.988
MET	37	A	PRO	40	A	7.120
ILE	38	A	ILE	41	A	5.174
ILE	38	A	LEU	42	A	6.387
ALA	39	A	LEU	42	A	5.234
ALA	39	A	ASP	43	A	6.616
PRO	40	A	ASP	43	A	5.038
PRO	40	A	GLU	44	A	6.403
ILE	41	A	GLU	44	A	5.083
ILE	41	A	ILE	45	A	6.207
LEU	42	A	ILE	45	A	5.037
LEU	42	A	ALA	46	A	6.024
ASP	43	A	ALA	46	A	5.024
ASP	43	A	ASP	47	A	6.442
GLU	44	A	ASP	47	A	5.285
GLU	44	A	GLU	48	A	6.121
ILE	45	A	GLU	48	A	4.935
ILE	45	A	TYR	49	A	5.766
ALA	46	A	TYR	49	A	5.497
ALA	46	A	GLN	50	A	5.663
ASP	47	A	GLN	50	A	5.160
TYR	49	A	LYS	52	A	5.357
TYR	49	A	LEU	53	A	5.562
GLN	50	A	LEU	53	A	5.946
GLN	50	A	THR	54	A	7.074
GLY	51	A	THR	54	A	7.574
ASN	59	A	GLN	62	A	5.610
ASN	59	A	ASN	63	A	6.079
ILE	60	A	ASN	63	A	4.868
ILE	60	A	PRO	64	A	4.986
ASP	61	A	PRO	64	A	5.894
ASN	63	A	THR	66	A	6.798
PRO	64	A	ALA	67	A	6.610
PRO	64	A	PRO	68	A	7.759
GLY	65	A	PRO	68	A	6.358
GLY	65	A	LYS	69	A	7.286
THR	66	A	LYS	69	A	5.458
THR	66	A	TYR	70	A	7.077
ALA	67	A	TYR	70	A	5.492
ALA	67	A	GLY	71	A	6.394
PRO	68	A	GLY	71	A	4.942
PRO	68	A	ILE	72	A	5.861
LYS	69	A	ILE	72	A	7.668
ILE	72	A	ILE	75	A	7.829
GLY	74	A	THR	77	A	6.679
PHE	81	A	GLY	84	A	6.286
PHE	81	A	GLU	85	A	5.333
LYS	82	A	GLU	85	A	5.652
LYS	82	A	VAL	86	A	6.499
VAL	86	A	THR	89	A	7.444
LEU	94	A	GLN	98	A	6.078
SER	95	A	GLN	98	A	5.220
SER	95	A	LEU	99	A	6.203
LYS	96	A	LEU	99	A	5.039
LYS	96	A	LYS	100	A	6.180
GLY	97	A	LYS	100	A	5.163
GLY	97	A	GLU	101	A	6.344
GLN	98	A	GLU	101	A	5.147
GLN	98	A	PHE	102	A	6.161
LEU	99	A	PHE	102	A	5.038
LEU	99	A	LEU	103	A	6.183
LYS	100	A	LEU	103	A	5.092
LYS	100	A	ASP	104	A	6.005
GLU	101	A	ASP	104	A	5.088
GLU	101	A	ALA	105	A	6.125
PHE	102	A	ALA	105	A	5.349
PHE	102	A	ASN	106	A	6.761
LEU	103	A	ASN	106	A	5.274
LEU	103	A	LEU	107	A	5.963
ASP	104	A	LEU	107	A	5.322
ASP	104	A	ALA	108	A	6.450
ALA	105	A	ALA	108	A	6.486

PDB ID : 2TRX.pdb     Chain : A

Residue name	Residue number	Chain	Contacting residue	Residue number	Chain	Distance
SER	1	A	ASP	43	A	6.053
LYS	3	A	ASP	43	A	7.230
LYS	3	A	ALA	46	A	6.336
LYS	3	A	ASP	47	A	7.577
LYS	3	A	VAL	55	A	7.386
ILE	4	A	ASP	43	A	7.461
ILE	4	A	ALA	46	A	7.207
ILE	4	A	THR	54	A	7.515
ILE	4	A	VAL	55	A	5.329
ILE	4	A	ALA	56	A	5.015
ILE	4	A	LYS	57	A	6.797
ILE	5	A	THR	54	A	7.765
ILE	5	A	VAL	55	A	6.378
ILE	5	A	ALA	56	A	4.322
ILE	5	A	LYS	57	A	6.230
HIS	6	A	ALA	56	A	6.107
HIS	6	A	LYS	57	A	5.601
HIS	6	A	LEU	58	A	6.733
HIS	6	A	ALA	56	A	5.847
HIS	6	A	LYS	57	A	5.224
HIS	6	A	LEU	58	A	6.429
LEU	7	A	PHE	12	A	6.234
LEU	7	A	ASP	15	A	7.567
LEU	7	A	ALA	56	A	6.734
LEU	7	A	LYS	57	A	5.898
LEU	7	A	LEU	58	A	5.210
LEU	7	A	ASN	59	A	7.954
THR	8	A	LEU	58	A	6.411
THR	8	A	ASN	63	A	5.990
ASP	9	A	ASN	63	A	5.499
ASP	9	A	PRO	64	A	7.564
ASP	9	A	GLY	65	A	6.117
ASP	9	A	THR	66	A	5.864
PHE	12	A	LEU	17	A	6.829
ASP	13	A	LYS	18	A	6.401
THR	14	A	ALA	19	A	7.288
VAL	16	A	ILE	23	A	6.837
VAL	16	A	PHE	81	A	7.373
VAL	16	A	GLY	84	A	7.102
LEU	17	A	PHE	81	A	7.646
LEU	17	A	ASN	83	A	7.042
LEU	17	A	GLY	84	A	4.225
LEU	17	A	GLU	85	A	7.087
LYS	18	A	ASN	83	A	7.222
LYS	18	A	GLY	84	A	6.079
ALA	19	A	LYS	82	A	7.883
ALA	19	A	ASN	83	A	7.208
ALA	19	A	GLY	84	A	7.311
ASP	20	A	ASN	83	A	7.441
GLY	21	A	LYS	52	A	7.139
GLY	21	A	LEU	53	A	6.700
GLY	21	A	THR	54	A	7.752
GLY	21	A	LYS	82	A	6.279
GLY	21	A	ASN	83	A	7.256
ALA	22	A	LYS	52	A	7.142
ALA	22	A	LEU	53	A	5.211
ALA	22	A	THR	54	A	6.450
ALA	22	A	LEU	80	A	6.899
ALA	22	A	PHE	81	A	5.750
ALA	22	A	LYS	82	A	4.846
ALA	22	A	ASN	83	A	7.669
ALA	22	A	LEU	107	A	7.589
ILE	23	A	LEU	53	A	5.640
ILE	23	A	THR	54	A	4.626
ILE	23	A	VAL	55	A	5.686
ILE	23	A	ALA	56	A	7.123
ILE	23	A	LEU	80	A	5.850
ILE	23	A	PHE	81	A	5.334
ILE	23	A	LYS	82	A	6.732
LEU	24	A	LEU	53	A	7.226
LEU	24	A	THR	54	A	6.264
LEU	24	A	VAL	55	A	4.819
LEU	24	A	ALA	56	A	6.095
LEU	24	A	LEU	78	A	6.620
LEU	24	A	LEU	79	A	5.724
LEU	24	A	LEU	80	A	4.498
LEU	24	A	PHE	81	A	6.370
VAL	25	A	VAL	55	A	6.094
VAL	25	A	ALA	56	A	4.788
VAL	25	A	LYS	57	A	5.516
VAL	25	A	LEU	58	A	7.128
VAL	25	A	LEU	78	A	5.584
VAL	25	A	LEU	79	A	5.132
VAL	25	A	LEU	80	A	6.378
VAL	25	A	PHE	81	A	7.768
ASP	26	A	VAL	55	A	7.753
ASP	26	A	ALA	56	A	6.166
ASP	26	A	LYS	57	A	4.674
ASP	26	A	LEU	58	A	6.171
ASP	26	A	PRO	76	A	6.773
ASP	26	A	THR	77	A	6.089
ASP	26	A	LEU	78	A	4.818
ASP	26	A	LEU	79	A	6.771
PHE	27	A	LYS	57	A	6.098
PHE	27	A	LEU	58	A	5.059
PHE	27	A	ASN	59	A	6.037
PHE	27	A	ILE	60	A	6.474
PHE	27	A	ALA	67	A	7.523
PHE	27	A	ILE	75	A	6.242
PHE	27	A	PRO	76	A	5.640
PHE	27	A	THR	77	A	5.438
PHE	27	A	LEU	78	A	6.498
TRP	28	A	CYS	35	A	5.799
TRP	28	A	LYS	57	A	7.280
TRP	28	A	LEU	58	A	6.381
TRP	28	A	ASN	59	A	5.072
TRP	28	A	ILE	60	A	6.078
TRP	28	A	ILE	75	A	5.835
TRP	28	A	PRO	76	A	5.421
TRP	28	A	THR	77	A	7.490
ALA	29	A	CYS	35	A	7.108
ALA	29	A	ASN	59	A	5.265
ALA	29	A	ILE	60	A	5.884
ALA	29	A	ASP	61	A	6.187
ALA	29	A	ILE	75	A	7.808
GLU	30	A	CYS	35	A	7.812
GLU	30	A	LYS	36	A	7.420
GLU	30	A	ASN	59	A	7.919
CYS	32	A	ILE	75	A	7.278
CYS	32	A	PRO	76	A	7.699
PRO	34	A	PRO	76	A	6.878
PRO	34	A	GLY	92	A	7.508
PRO	34	A	ALA	93	A	5.828
CYS	35	A	ILE	75	A	6.892
CYS	35	A	PRO	76	A	5.221
CYS	35	A	ALA	93	A	7.011
MET	37	A	ALA	93	A	7.603
ILE	38	A	ALA	93	A	6.440
ILE	38	A	LEU	94	A	7.244
ILE	38	A	SER	95	A	7.657
ILE	41	A	SER	95	A	7.555
ILE	41	A	LYS	96	A	5.802
LEU	42	A	VAL	55	A	7.450
ILE	45	A	GLN	50	A	7.945
ILE	45	A	LYS	96	A	7.873
ILE	45	A	LYS	100	A	7.821
ALA	46	A	LEU	53	A	7.284
ALA	46	A	THR	54	A	6.859
ALA	46	A	VAL	55	A	6.027
TYR	49	A	THR	54	A	7.942
LEU	58	A	ASN	63	A	7.064
ILE	60	A	GLY	65	A	7.968
ILE	60	A	THR	66	A	7.831
ILE	60	A	ALA	67	A	7.077
ALA	67	A	ILE	72	A	5.249
ALA	67	A	ARG	73	A	7.990
PRO	68	A	ARG	73	A	7.909
ILE	72	A	THR	77	A	7.213
GLY	74	A	VAL	91	A	7.389
GLY	74	A	GLY	92	A	7.846
ILE	75	A	VAL	91	A	6.958
ILE	75	A	GLY	92	A	6.427
PRO	76	A	VAL	91	A	6.213
PRO	76	A	GLY	92	A	5.255
PRO	76	A	ALA	93	A	6.519
THR	77	A	THR	89	A	7.251
THR	77	A	LYS	90	A	5.862
THR	77	A	VAL	91	A	4.422
THR	77	A	GLY	92	A	6.010
LEU	78	A	THR	89	A	5.594
LEU	78	A	LYS	90	A	5.165
LEU	78	A	VAL	91	A	6.308
LEU	79	A	VAL	86	A	6.512
LEU	79	A	ALA	87	A	7.752
LEU	79	A	ALA	88	A	6.233
LEU	79	A	THR	89	A	4.630
LEU	79	A	LYS	90	A	6.749
LEU	80	A	VAL	86	A	5.793
LEU	80	A	ALA	87	A	5.607
LEU	80	A	ALA	88	A	5.265
LEU	80	A	THR	89	A	6.031
PHE	81	A	VAL	86	A	4.469
PHE	81	A	ALA	87	A	5.429
PHE	81	A	ALA	88	A	7.353
LYS	82	A	ALA	87	A	6.091
ALA	87	A	ASN	106	A	7.516
ALA	88	A	ASN	106	A	7.389
LEU	94	A	LEU	99	A	6.525

PDB ID : 2TRX.pdb      Chain : A

Contact order = 15.698 
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Long range order

PDB ID : 2TRX.pdb      Chain : A

Long range order = 1.284

Residue name	Residue number	Chain	Long Range Order
SER	1	A	0.009
ASP	2	A	0.000
LYS	3	A	0.037
ILE	4	A	0.055
ILE	5	A	0.037
HIS	6	A	0.028
HIS	6	A	0.028
LEU	7	A	0.037
THR	8	A	0.018
ASP	9	A	0.037
ASP	10	A	0.000
SER	11	A	0.000
PHE	12	A	0.000
ASP	13	A	0.000
THR	14	A	0.000
ASP	15	A	0.000
VAL	16	A	0.018
LEU	17	A	0.037
LYS	18	A	0.018
ALA	19	A	0.028
ASP	20	A	0.009
GLY	21	A	0.046
ALA	22	A	0.073
ILE	23	A	0.064
LEU	24	A	0.073
VAL	25	A	0.073
ASP	26	A	0.073
PHE	27	A	0.083
TRP	28	A	0.064
ALA	29	A	0.037
GLU	30	A	0.009
TRP	31	A	0.000
CYS	32	A	0.018
GLY	33	A	0.000
PRO	34	A	0.028
CYS	35	A	0.028
LYS	36	A	0.000
MET	37	A	0.009
ILE	38	A	0.028
ALA	39	A	0.000
PRO	40	A	0.000
ILE	41	A	0.018
LEU	42	A	0.009
ASP	43	A	0.000
GLU	44	A	0.000
ILE	45	A	0.018
ALA	46	A	0.000
ASP	47	A	0.000
GLU	48	A	0.000
TYR	49	A	0.000
GLN	50	A	0.000
GLY	51	A	0.000
LYS	52	A	0.000
LEU	53	A	0.000
THR	54	A	0.000
VAL	55	A	0.000
ALA	56	A	0.000
LYS	57	A	0.000
LEU	58	A	0.000
ASN	59	A	0.000
ILE	60	A	0.000
ASP	61	A	0.000
GLN	62	A	0.000
ASN	63	A	0.000
PRO	64	A	0.000
GLY	65	A	0.000
THR	66	A	0.000
ALA	67	A	0.000
PRO	68	A	0.000
LYS	69	A	0.000
TYR	70	A	0.000
GLY	71	A	0.000
ILE	72	A	0.000
ARG	73	A	0.000
GLY	74	A	0.018
ILE	75	A	0.018
PRO	76	A	0.028
THR	77	A	0.037
LEU	78	A	0.018
LEU	79	A	0.000
LEU	80	A	0.000
PHE	81	A	0.000
LYS	82	A	0.000
ASN	83	A	0.000
GLY	84	A	0.000
GLU	85	A	0.000
VAL	86	A	0.000
ALA	87	A	0.009
ALA	88	A	0.009
THR	89	A	0.000
LYS	90	A	0.000
VAL	91	A	0.000
GLY	92	A	0.000
ALA	93	A	0.000
LEU	94	A	0.000
SER	95	A	0.000
LYS	96	A	0.000
GLY	97	A	0.000
GLN	98	A	0.000
LEU	99	A	0.000
LYS	100	A	0.000
GLU	101	A	0.000
PHE	102	A	0.000
LEU	103	A	0.000
ASP	104	A	0.000
ALA	105	A	0.000
ASN	106	A	0.000
LEU	107	A	0.000
ALA	108	A	0.000

PDB ID : 2TRX.pdb      Chain : A

Total contact distance = 0.930
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

Number of contacts (Distance less than 8Å  CA atoms)

PDB name : 2TRX.pdb  Chain : A

Residue name	Residue number	Chain	No. of contacting residues	Contacting residues
SER	1	A	4	ASP2 , LYS3 , ILE4 , ASP43
ASP	2	A	2	LYS3 , ILE4
LYS	3	A	6	ILE4 , ILE5 , ASP43 , ALA46 , ASP47 , VAL55
ILE	4	A	8	ILE5 , HIS6 , ASP43 , ALA46 , THR54 , VAL55 , ALA56 , LYS57
ILE	5	A	6	HIS6 , LEU7 , THR54 , VAL55 , ALA56 , LYS57
HIS	6	A	6	HIS6 , LEU7 , THR8 , ALA56 , LYS57 , LEU58
HIS	6	A	5	LEU7 , THR8 , ALA56 , LYS57 , LEU58
LEU	7	A	9	THR8 , ASP9 , SER11 , PHE12 , ASP15 , ALA56 , LYS57 , LEU58 , ASN59
THR	8	A	6	ASP9 , ASP10 , SER11 , PHE12 , LEU58 , ASN63
ASP	9	A	7	ASP10 , SER11 , PHE12 , ASN63 , PRO64 , GLY65 , THR66
ASP	10	A	3	SER11 , PHE12 , ASP13
SER	11	A	4	PHE12 , ASP13 , THR14 , ASP15
PHE	12	A	5	ASP13 , THR14 , ASP15 , VAL16 , LEU17
ASP	13	A	5	THR14 , ASP15 , VAL16 , LEU17 , LYS18
THR	14	A	5	ASP15 , VAL16 , LEU17 , LYS18 , ALA19
ASP	15	A	4	VAL16 , LEU17 , LYS18 , ALA19
VAL	16	A	6	LEU17 , LYS18 , ALA19 , ILE23 , PHE81 , GLY84
LEU	17	A	6	LYS18 , ALA19 , PHE81 , ASN83 , GLY84 , GLU85
LYS	18	A	4	ALA19 , ASP20 , ASN83 , GLY84
ALA	19	A	7	ASP20 , GLY21 , ALA22 , ILE23 , LYS82 , ASN83 , GLY84
ASP	20	A	3	GLY21 , ALA22 , ASN83
GLY	21	A	7	ALA22 , ILE23 , LYS52 , LEU53 , THR54 , LYS82 , ASN83
ALA	22	A	10	ILE23 , LEU24 , LYS52 , LEU53 , THR54 , LEU80 , PHE81 , LYS82 , ASN83 , LEU107
ILE	23	A	9	LEU24 , VAL25 , LEU53 , THR54 , VAL55 , ALA56 , LEU80 , PHE81 , LYS82
LEU	24	A	10	VAL25 , ASP26 , LEU53 , THR54 , VAL55 , ALA56 , LEU78 , LEU79 , LEU80 , PHE81
VAL	25	A	10	ASP26 , PHE27 , VAL55 , ALA56 , LYS57 , LEU58 , LEU78 , LEU79 , LEU80 , PHE81
ASP	26	A	10	PHE27 , TRP28 , VAL55 , ALA56 , LYS57 , LEU58 , PRO76 , THR77 , LEU78 , LEU79
PHE	27	A	11	TRP28 , ALA29 , LYS57 , LEU58 , ASN59 , ILE60 , ALA67 , ILE75 , PRO76 , THR77 , LEU78
TRP	28	A	11	ALA29 , GLU30 , CYS32 , CYS35 , LYS57 , LEU58 , ASN59 , ILE60 , ILE75 , PRO76 , THR77
ALA	29	A	8	GLU30 , TRP31 , CYS32 , CYS35 , ASN59 , ILE60 , ASP61 , ILE75
GLU	30	A	6	TRP31 , CYS32 , GLY33 , CYS35 , LYS36 , ASN59
TRP	31	A	2	CYS32 , GLY33
CYS	32	A	6	GLY33 , PRO34 , CYS35 , LYS36 , ILE75 , PRO76
GLY	33	A	4	PRO34 , CYS35 , LYS36 , MET37
PRO	34	A	7	CYS35 , LYS36 , MET37 , ILE38 , PRO76 , GLY92 , ALA93
CYS	35	A	7	LYS36 , MET37 , ILE38 , ALA39 , ILE75 , PRO76 , ALA93
LYS	36	A	4	MET37 , ILE38 , ALA39 , PRO40
MET	37	A	4	ILE38 , ALA39 , PRO40 , ALA93
ILE	38	A	7	ALA39 , PRO40 , ILE41 , LEU42 , ALA93 , LEU94 , SER95
ALA	39	A	4	PRO40 , ILE41 , LEU42 , ASP43
PRO	40	A	4	ILE41 , LEU42 , ASP43 , GLU44
ILE	41	A	6	LEU42 , ASP43 , GLU44 , ILE45 , SER95 , LYS96
LEU	42	A	5	ASP43 , GLU44 , ILE45 , ALA46 , VAL55
ASP	43	A	4	GLU44 , ILE45 , ALA46 , ASP47
GLU	44	A	4	ILE45 , ALA46 , ASP47 , GLU48
ILE	45	A	7	ALA46 , ASP47 , GLU48 , TYR49 , GLN50 , LYS96 , LYS100
ALA	46	A	7	ASP47 , GLU48 , TYR49 , GLN50 , LEU53 , THR54 , VAL55
ASP	47	A	3	GLU48 , TYR49 , GLN50
GLU	48	A	2	TYR49 , GLN50
TYR	49	A	5	GLN50 , GLY51 , LYS52 , LEU53 , THR54
GLN	50	A	4	GLY51 , LYS52 , LEU53 , THR54
GLY	51	A	3	LYS52 , LEU53 , THR54
LYS	52	A	2	LEU53 , THR54
LEU	53	A	2	THR54 , VAL55
THR	54	A	2	VAL55 , ALA56
VAL	55	A	2	ALA56 , LYS57
ALA	56	A	2	LYS57 , LEU58
LYS	57	A	2	LEU58 , ASN59
LEU	58	A	3	ASN59 , ILE60 , ASN63
ASN	59	A	4	ILE60 , ASP61 , GLN62 , ASN63
ILE	60	A	7	ASP61 , GLN62 , ASN63 , PRO64 , GLY65 , THR66 , ALA67
ASP	61	A	3	GLN62 , ASN63 , PRO64
GLN	62	A	2	ASN63 , PRO64
ASN	63	A	3	PRO64 , GLY65 , THR66
PRO	64	A	4	GLY65 , THR66 , ALA67 , PRO68
GLY	65	A	4	THR66 , ALA67 , PRO68 , LYS69
THR	66	A	4	ALA67 , PRO68 , LYS69 , TYR70
ALA	67	A	6	PRO68 , LYS69 , TYR70 , GLY71 , ILE72 , ARG73
PRO	68	A	5	LYS69 , TYR70 , GLY71 , ILE72 , ARG73
LYS	69	A	3	TYR70 , GLY71 , ILE72
TYR	70	A	2	GLY71 , ILE72
GLY	71	A	2	ILE72 , ARG73
ILE	72	A	4	ARG73 , GLY74 , ILE75 , THR77
ARG	73	A	2	GLY74 , ILE75
GLY	74	A	5	ILE75 , PRO76 , THR77 , VAL91 , GLY92
ILE	75	A	4	PRO76 , THR77 , VAL91 , GLY92
PRO	76	A	5	THR77 , LEU78 , VAL91 , GLY92 , ALA93
THR	77	A	6	LEU78 , LEU79 , THR89 , LYS90 , VAL91 , GLY92
LEU	78	A	5	LEU79 , LEU80 , THR89 , LYS90 , VAL91
LEU	79	A	7	LEU80 , PHE81 , VAL86 , ALA87 , ALA88 , THR89 , LYS90
LEU	80	A	6	PHE81 , LYS82 , VAL86 , ALA87 , ALA88 , THR89
PHE	81	A	7	LYS82 , ASN83 , GLY84 , GLU85 , VAL86 , ALA87 , ALA88
LYS	82	A	5	ASN83 , GLY84 , GLU85 , VAL86 , ALA87
ASN	83	A	2	GLY84 , GLU85
GLY	84	A	2	GLU85 , VAL86
GLU	85	A	2	VAL86 , ALA87
VAL	86	A	3	ALA87 , ALA88 , THR89
ALA	87	A	3	ALA88 , THR89 , ASN106
ALA	88	A	3	THR89 , LYS90 , ASN106
THR	89	A	2	LYS90 , VAL91
LYS	90	A	2	VAL91 , GLY92
VAL	91	A	2	GLY92 , ALA93
GLY	92	A	2	ALA93 , LEU94
ALA	93	A	2	LEU94 , SER95
LEU	94	A	4	SER95 , LYS96 , GLN98 , LEU99
SER	95	A	4	LYS96 , GLY97 , GLN98 , LEU99
LYS	96	A	4	GLY97 , GLN98 , LEU99 , LYS100
GLY	97	A	4	GLN98 , LEU99 , LYS100 , GLU101
GLN	98	A	4	LEU99 , LYS100 , GLU101 , PHE102
LEU	99	A	4	LYS100 , GLU101 , PHE102 , LEU103
LYS	100	A	4	GLU101 , PHE102 , LEU103 , ASP104
GLU	101	A	4	PHE102 , LEU103 , ASP104 , ALA105
PHE	102	A	4	LEU103 , ASP104 , ALA105 , ASN106
LEU	103	A	4	ASP104 , ALA105 , ASN106 , LEU107
ASP	104	A	4	ALA105 , ASN106 , LEU107 , ALA108
ALA	105	A	3	ASN106 , LEU107 , ALA108
ASN	106	A	2	LEU107 , ALA108
LEU	107	A	1	ALA108
ALA	108	A	0

PDB name : 2TRX.pdb  Chain : A

Residue name	Residue number	Chain	No. of contacting residues	Contacting residues
SER	1	A	30	ASP2 , LYS3 , ILE4 , ILE5 , HIS6 , LEU7 , VAL25 , ASP26 , TRP28 , CYS35 , LYS36 , MET37 , ILE38 , ALA39 , PRO40 , ILE41 , LEU42 , ASP43 , GLU44 , ILE45 , ALA46 , ASP47 , GLU48 , GLN50 , THR54 , VAL55 , ALA56 , LYS57 , LEU58 , ASN59
ASP	2	A	20	LYS3 , ILE4 , ILE5 , HIS6 , LEU7 , ALA39 , PRO40 , ILE41 , LEU42 , ASP43 , GLU44 , ILE45 , ALA46 , ASP47 , GLU48 , GLN50 , THR54 , VAL55 , ALA56 , LYS57
LYS	3	A	27	ILE4 , ILE5 , HIS6 , LEU7 , ILE23 , LEU24 , VAL25 , ASP26 , ALA39 , PRO40 , ILE41 , LEU42 , ASP43 , GLU44 , ILE45 , ALA46 , ASP47 , GLU48 , TYR49 , GLN50 , GLY51 , LYS52 , LEU53 , THR54 , VAL55 , ALA56 , LYS57
ILE	4	A	36	ILE5 , HIS6 , LEU7 , THR8 , ASP15 , VAL16 , ALA22 , ILE23 , LEU24 , VAL25 , ASP26 , PHE27 , TRP28 , ILE38 , ALA39 , PRO40 , ILE41 , LEU42 , ASP43 , GLU44 , ILE45 , ALA46 , ASP47 , GLU48 , TYR49 , GLN50 , GLY51 , LYS52 , LEU53 , THR54 , VAL55 , ALA56 , LYS57 , LEU58 , ASN59 , LEU78
ILE	5	A	36	HIS6 , LEU7 , THR8 , ASP9 , ASP10 , SER11 , PHE12 , ASP13 , THR14 , ASP15 , VAL16 , LEU17 , ALA19 , ASP20 , ALA22 , ILE23 , LEU24 , VAL25 , ASP26 , PHE27 , TRP28 , ALA39 , LEU42 , ASP43 , ILE45 , ALA46 , ASP47 , GLN50 , GLY51 , LEU53 , THR54 , VAL55 , ALA56 , LYS57 , LEU58 , ASN59
HIS	6	A	34	HIS6 , LEU7 , THR8 , ASP9 , ASP10 , SER11 , PHE12 , ASP13 , THR14 , ASP15 , VAL16 , ALA19 , ILE23 , LEU24 , VAL25 , ASP26 , PHE27 , TRP28 , ALA29 , ALA39 , LEU42 , ASP43 , ALA46 , THR54 , VAL55 , ALA56 , LYS57 , LEU58 , ASN59 , ILE60 , ASP61 , GLN62 , ASN63 , THR66
HIS	6	A	33	LEU7 , THR8 , ASP9 , ASP10 , SER11 , PHE12 , ASP13 , THR14 , ASP15 , VAL16 , ALA19 , ILE23 , LEU24 , VAL25 , ASP26 , PHE27 , TRP28 , ALA29 , ALA39 , LEU42 , ASP43 , ALA46 , THR54 , VAL55 , ALA56 , LYS57 , LEU58 , ASN59 , ILE60 , ASP61 , GLN62 , ASN63 , THR66
LEU	7	A	36	THR8 , ASP9 , ASP10 , SER11 , PHE12 , ASP13 , THR14 , ASP15 , VAL16 , LEU17 , LYS18 , ALA19 , ILE23 , LEU24 , VAL25 , ASP26 , PHE27 , TRP28 , ALA29 , THR54 , VAL55 , ALA56 , LYS57 , LEU58 , ASN59 , ILE60 , ASP61 , GLN62 , ASN63 , PRO64 , GLY65 , THR66 , ALA67 , LEU78 , LEU79 , PHE81
THR	8	A	28	ASP9 , ASP10 , SER11 , PHE12 , ASP13 , THR14 , ASP15 , VAL16 , LEU17 , VAL25 , ASP26 , PHE27 , TRP28 , ALA29 , ALA56 , LYS57 , LEU58 , ASN59 , ILE60 , ASP61 , GLN62 , ASN63 , PRO64 , GLY65 , THR66 , ALA67 , PRO68 , LYS69
ASP	9	A	27	ASP10 , SER11 , PHE12 , ASP13 , THR14 , ASP15 , VAL16 , LEU17 , VAL25 , ASP26 , PHE27 , TRP28 , ALA56 , LYS57 , LEU58 , ASN59 , ILE60 , ASP61 , GLN62 , ASN63 , PRO64 , GLY65 , THR66 , ALA67 , PRO68 , LYS69 , TYR70
ASP	10	A	19	SER11 , PHE12 , ASP13 , THR14 , ASP15 , VAL16 , LEU17 , LYS18 , LYS57 , LEU58 , ASN59 , ILE60 , GLN62 , ASN63 , PRO64 , GLY65 , THR66 , ALA67 , LYS69
SER	11	A	21	PHE12 , ASP13 , THR14 , ASP15 , VAL16 , LEU17 , LYS18 , ALA19 , VAL25 , ALA56 , LYS57 , LEU58 , ASN59 , ILE60 , GLN62 , ASN63 , PRO64 , GLY65 , THR66 , ALA67 , GLY84
PHE	12	A	37	ASP13 , THR14 , ASP15 , VAL16 , LEU17 , LYS18 , ALA19 , ASP20 , ILE23 , LEU24 , VAL25 , ASP26 , PHE27 , THR54 , VAL55 , ALA56 , LYS57 , LEU58 , ASN59 , ILE60 , GLN62 , ASN63 , PRO64 , GLY65 , THR66 , ALA67 , PRO68 , LYS69 , TYR70 , LEU79 , LEU80 , PHE81 , LYS82 , ASN83 , GLY84 , GLU85 , VAL86
ASP	13	A	24	THR14 , ASP15 , VAL16 , LEU17 , LYS18 , ALA19 , ASP20 , ILE23 , VAL25 , ALA56 , LYS57 , LEU58 , ASN63 , GLY65 , THR66 , ALA67 , LYS69 , TYR70 , PHE81 , LYS82 , ASN83 , GLY84 , GLU85 , VAL86
THR	14	A	18	ASP15 , VAL16 , LEU17 , LYS18 , ALA19 , ASP20 , GLY21 , ILE23 , VAL25 , THR54 , ALA56 , LEU58 , THR66 , PHE81 , LYS82 , ASN83 , GLY84 , GLU85
ASP	15	A	25	VAL16 , LEU17 , LYS18 , ALA19 , ASP20 , GLY21 , ALA22 , ILE23 , LEU24 , VAL25 , ASP26 , LEU53 , THR54 , VAL55 , ALA56 , LYS57 , LEU58 , THR66 , LEU79 , LEU80 , PHE81 , LYS82 , ASN83 , GLY84 , GLU85
VAL	16	A	31	LEU17 , LYS18 , ALA19 , ASP20 , GLY21 , ALA22 , ILE23 , LEU24 , VAL25 , ASP26 , PHE27 , LEU53 , THR54 , VAL55 , ALA56 , LYS57 , LEU58 , THR66 , ALA67 , LYS69 , TYR70 , LEU78 , LEU79 , LEU80 , PHE81 , LYS82 , ASN83 , GLY84 , GLU85 , VAL86 , ALA87
LEU	17	A	24	LYS18 , ALA19 , ASP20 , GLY21 , ALA22 , ILE23 , LEU24 , VAL25 , THR54 , VAL55 , ALA56 , LEU58 , THR66 , LYS69 , TYR70 , LEU79 , LEU80 , PHE81 , LYS82 , ASN83 , GLY84 , GLU85 , VAL86 , ALA87
LYS	18	A	16	ALA19 , ASP20 , GLY21 , ALA22 , ILE23 , LEU24 , VAL25 , THR54 , ALA56 , LEU80 , PHE81 , LYS82 , ASN83 , GLY84 , GLU85 , VAL86
ALA	19	A	21	ASP20 , GLY21 , ALA22 , ILE23 , LEU24 , VAL25 , GLY51 , LYS52 , LEU53 , THR54 , VAL55 , ALA56 , LEU79 , LEU80 , PHE81 , LYS82 , ASN83 , GLY84 , GLU85 , VAL86 , ALA87
ASP	20	A	19	GLY21 , ALA22 , ILE23 , LEU24 , GLN50 , GLY51 , LYS52 , LEU53 , THR54 , VAL55 , ALA56 , LEU80 , PHE81 , LYS82 , ASN83 , GLY84 , GLU85 , VAL86 , LEU107
GLY	21	A	26	ALA22 , ILE23 , LEU24 , VAL25 , ALA46 , TYR49 , GLN50 , GLY51 , LYS52 , LEU53 , THR54 , VAL55 , ALA56 , LEU79 , LEU80 , PHE81 , LYS82 , ASN83 , GLY84 , GLU85 , VAL86 , ALA87 , LEU103 , ASN106 , LEU107 , ALA108
ALA	22	A	34	ILE23 , LEU24 , VAL25 , ASP26 , ILE45 , ALA46 , TYR49 , GLN50 , GLY51 , LYS52 , LEU53 , THR54 , VAL55 , ALA56 , LEU78 , LEU79 , LEU80 , PHE81 , LYS82 , ASN83 , GLY84 , GLU85 , VAL86 , ALA87 , ALA88 , THR89 , LYS100 , PHE102 , LEU103 , ASP104 , ALA105 , ASN106 , LEU107 , ALA108
ILE	23	A	41	LEU24 , VAL25 , ASP26 , PHE27 , LEU42 , ASP43 , ILE45 , ALA46 , ASP47 , GLU48 , TYR49 , GLN50 , GLY51 , LYS52 , LEU53 , THR54 , VAL55 , ALA56 , LYS57 , LEU58 , THR77 , LEU78 , LEU79 , LEU80 , PHE81 , LYS82 , ASN83 , GLY84 , GLU85 , VAL86 , ALA87 , ALA88 , THR89 , LYS90 , LEU99 , PHE102 , LEU103 , ASP104 , ASN106 , LEU107 , ALA108
LEU	24	A	50	VAL25 , ASP26 , PHE27 , TRP28 , ILE38 , ALA39 , ILE41 , LEU42 , ASP43 , GLU44 , ILE45 , ALA46 , ASP47 , GLU48 , TYR49 , GLN50 , GLY51 , LYS52 , LEU53 , THR54 , VAL55 , ALA56 , LYS57 , LEU58 , TYR70 , PRO76 , THR77 , LEU78 , LEU79 , LEU80 , PHE81 , LYS82 , ASN83 , GLY84 , GLU85 , VAL86 , ALA87 , ALA88 , THR89 , LYS90 , VAL91 , LEU99 , LYS100 , GLU101 , PHE102 , LEU103 , ASP104 , ALA105 , ASN106 , LEU107
VAL	25	A	48	ASP26 , PHE27 , TRP28 , ALA29 , CYS35 , ILE38 , ALA39 , ILE41 , LEU42 , ASP43 , ILE45 , ALA46 , LEU53 , THR54 , VAL55 , ALA56 , LYS57 , LEU58 , ASN59 , ILE60 , ASN63 , THR66 , ALA67 , LYS69 , TYR70 , ILE72 , ILE75 , PRO76 , THR77 , LEU78 , LEU79 , LEU80 , PHE81 , LYS82 , ASN83 , GLY84 , GLU85 , VAL86 , ALA87 , ALA88 , THR89 , LYS90 , VAL91 , GLY92 , ALA93 , LEU99 , PHE102 , LEU103
ASP	26	A	53	PHE27 , TRP28 , ALA29 , GLU30 , CYS32 , GLY33 , PRO34 , CYS35 , LYS36 , MET37 , ILE38 , ALA39 , PRO40 , ILE41 , LEU42 , ASP43 , ILE45 , ALA46 , LEU53 , THR54 , VAL55 , ALA56 , LYS57 , LEU58 , ASN59 , ILE60 , ASP61 , GLN62 , ASN63 , PRO64 , THR66 , ALA67 , TYR70 , ILE72 , ARG73 , GLY74 , ILE75 , PRO76 , THR77 , LEU78 , LEU79 , LEU80 , PHE81 , VAL86 , ALA88 , THR89 , LYS90 , VAL91 , GLY92 , ALA93 , LEU94 , LEU99 , LEU103
PHE	27	A	46	TRP28 , ALA29 , GLU30 , TRP31 , CYS32 , GLY33 , PRO34 , CYS35 , LYS36 , MET37 , ILE38 , ALA39 , LEU42 , VAL55 , ALA56 , LYS57 , LEU58 , ASN59 , ILE60 , ASP61 , GLN62 , ASN63 , PRO64 , GLY65 , THR66 , ALA67 , PRO68 , LYS69 , TYR70 , GLY71 , ILE72 , ARG73 , GLY74 , ILE75 , PRO76 , THR77 , LEU78 , LEU79 , LEU80 , PHE81 , VAL86 , THR89 , LYS90 , VAL91 , GLY92 , ALA93
TRP	28	A	40	ALA29 , GLU30 , TRP31 , CYS32 , GLY33 , PRO34 , CYS35 , LYS36 , MET37 , ILE38 , ALA39 , PRO40 , ILE41 , LEU42 , VAL55 , ALA56 , LYS57 , LEU58 , ASN59 , ILE60 , ASP61 , GLN62 , ASN63 , PRO64 , GLY65 , THR66 , ALA67 , PRO68 , ILE72 , ARG73 , GLY74 , ILE75 , PRO76 , THR77 , LEU78 , LEU79 , LYS90 , VAL91 , GLY92 , ALA93
ALA	29	A	31	GLU30 , TRP31 , CYS32 , GLY33 , PRO34 , CYS35 , LYS36 , MET37 , ILE38 , ALA39 , ALA56 , LYS57 , LEU58 , ASN59 , ILE60 , ASP61 , GLN62 , ASN63 , PRO64 , GLY65 , THR66 , ALA67 , ILE72 , ARG73 , GLY74 , ILE75 , PRO76 , THR77 , LEU78 , GLY92 , ALA93
GLU	30	A	21	TRP31 , CYS32 , GLY33 , PRO34 , CYS35 , LYS36 , MET37 , ILE38 , ALA39 , LYS57 , LEU58 , ASN59 , ILE60 , ASP61 , GLN62 , ASN63 , PRO64 , GLY74 , ILE75 , PRO76 , THR77
TRP	31	A	16	CYS32 , GLY33 , PRO34 , CYS35 , LYS36 , MET37 , ILE38 , ALA39 , LEU58 , ASN59 , ILE60 , ASP61 , GLN62 , GLY74 , ILE75 , PRO76
CYS	32	A	21	GLY33 , PRO34 , CYS35 , LYS36 , MET37 , ILE38 , ALA39 , LYS57 , LEU58 , ASN59 , ILE60 , ASP61 , GLN62 , ARG73 , GLY74 , ILE75 , PRO76 , THR77 , VAL91 , GLY92 , ALA93
GLY	33	A	15	PRO34 , CYS35 , LYS36 , MET37 , ILE38 , ALA39 , PRO40 , ASN59 , GLY74 , ILE75 , PRO76 , THR77 , GLY92 , ALA93 , LEU94
PRO	34	A	21	CYS35 , LYS36 , MET37 , ILE38 , ALA39 , PRO40 , ILE41 , LEU42 , ASN59 , GLY74 , ILE75 , PRO76 , THR77 , LEU78 , LYS90 , VAL91 , GLY92 , ALA93 , LEU94 , SER95 , LYS96
CYS	35	A	28	LYS36 , MET37 , ILE38 , ALA39 , PRO40 , ILE41 , LEU42 , ASP43 , ALA56 , LYS57 , LEU58 , ASN59 , ILE60 , ASP61 , GLY74 , ILE75 , PRO76 , THR77 , LEU78 , LEU79 , LYS90 , VAL91 , GLY92 , ALA93 , LEU94 , SER95 , LYS96 , LEU99
LYS	36	A	21	MET37 , ILE38 , ALA39 , PRO40 , ILE41 , LEU42 , ASP43 , GLU44 , LYS57 , LEU58 , ASN59 , ILE60 , ILE75 , PRO76 , THR77 , LEU78 , GLY92 , ALA93 , LEU94 , SER95 , LYS96
MET	37	A	18	ILE38 , ALA39 , PRO40 , ILE41 , LEU42 , ASP43 , GLU44 , ILE75 , PRO76 , THR77 , LEU78 , VAL91 , GLY92 , ALA93 , LEU94 , SER95 , LYS96 , LEU99
ILE	38	A	26	ALA39 , PRO40 , ILE41 , LEU42 , ASP43 , GLU44 , ILE45 , ALA46 , VAL55 , ALA56 , LYS57 , ILE75 , PRO76 , THR77 , LEU78 , LYS90 , VAL91 , GLY92 , ALA93 , LEU94 , SER95 , LYS96 , GLY97 , GLN98 , LEU99 , LYS100
ALA	39	A	23	PRO40 , ILE41 , LEU42 , ASP43 , GLU44 , ILE45 , ALA46 , ASP47 , VAL55 , ALA56 , LYS57 , LEU58 , ASN59 , ILE75 , PRO76 , THR77 , LEU78 , GLY92 , ALA93 , LEU94 , SER95 , LYS96 , LEU99
PRO	40	A	19	ILE41 , LEU42 , ASP43 , GLU44 , ILE45 , ALA46 , ASP47 , GLU48 , VAL55 , ALA56 , LYS57 , PRO76 , ALA93 , LEU94 , SER95 , LYS96 , GLY97 , LEU99 , LYS100
ILE	41	A	27	LEU42 , ASP43 , GLU44 , ILE45 , ALA46 , ASP47 , GLU48 , TYR49 , GLN50 , THR54 , VAL55 , ALA56 , LYS57 , PRO76 , LEU78 , GLY92 , ALA93 , LEU94 , SER95 , LYS96 , GLY97 , GLN98 , LEU99 , LYS100 , GLU101 , PHE102 , LEU103
LEU	42	A	32	ASP43 , GLU44 , ILE45 , ALA46 , ASP47 , GLU48 , TYR49 , GLN50 , LEU53 , THR54 , VAL55 , ALA56 , LYS57 , LEU58 , PRO76 , THR77 , LEU78 , LEU79 , LEU80 , LYS90 , GLY92 , ALA93 , LEU94 , SER95 , LYS96 , GLY97 , GLN98 , LEU99 , LYS100 , GLU101 , PHE102 , LEU103
ASP	43	A	20	GLU44 , ILE45 , ALA46 , ASP47 , GLU48 , TYR49 , GLN50 , GLY51 , LEU53 , THR54 , VAL55 , ALA56 , LYS57 , LEU78 , LEU94 , SER95 , LYS96 , GLY97 , LEU99 , LYS100
GLU	44	A	20	ILE45 , ALA46 , ASP47 , GLU48 , TYR49 , GLN50 , GLY51 , LYS52 , LEU53 , THR54 , VAL55 , ALA56 , LEU94 , SER95 , LYS96 , GLY97 , GLN98 , LEU99 , LYS100 , LEU103
ILE	45	A	26	ALA46 , ASP47 , GLU48 , TYR49 , GLN50 , GLY51 , LYS52 , LEU53 , THR54 , VAL55 , ALA56 , LYS57 , LEU78 , LEU80 , LEU94 , SER95 , LYS96 , GLY97 , GLN98 , LEU99 , LYS100 , GLU101 , PHE102 , LEU103 , ASP104 , LEU107
ALA	46	A	19	ASP47 , GLU48 , TYR49 , GLN50 , GLY51 , LYS52 , LEU53 , THR54 , VAL55 , ALA56 , LYS57 , LEU78 , LEU80 , LYS96 , GLY97 , LEU99 , LYS100 , LEU103 , ASP104
ASP	47	A	13	GLU48 , TYR49 , GLN50 , GLY51 , LYS52 , LEU53 , THR54 , VAL55 , ALA56 , LYS96 , LEU99 , LYS100 , LEU103
GLU	48	A	15	TYR49 , GLN50 , GLY51 , LYS52 , LEU53 , THR54 , VAL55 , LYS96 , GLY97 , LEU99 , LYS100 , GLU101 , LEU103 , ASP104 , LEU107
TYR	49	A	20	GLN50 , GLY51 , LYS52 , LEU53 , THR54 , VAL55 , ALA56 , LEU80 , LYS96 , GLY97 , LEU99 , LYS100 , GLU101 , PHE102 , LEU103 , ASP104 , ALA105 , ASN106 , LEU107 , ALA108
GLN	50	A	10	GLY51 , LYS52 , LEU53 , THR54 , VAL55 , ALA56 , LYS100 , LEU103 , ASP104 , LEU107
GLY	51	A	7	LYS52 , LEU53 , THR54 , VAL55 , ALA56 , LEU103 , LEU107
LYS	52	A	15	LEU53 , THR54 , VAL55 , ALA56 , LEU80 , PHE81 , LYS82 , ASN83 , LYS100 , LEU103 , ASP104 , ALA105 , ASN106 , LEU107 , ALA108
LEU	53	A	21	THR54 , VAL55 , ALA56 , LYS57 , LEU78 , LEU79 , LEU80 , PHE81 , LYS82 , ASN83 , ALA87 , ALA88 , LEU99 , LYS100 , PHE102 , LEU103 , ASP104 , ALA105 , ASN106 , LEU107 , ALA108
THR	54	A	15	VAL55 , ALA56 , LYS57 , LEU58 , LEU78 , LEU79 , LEU80 , PHE81 , LYS82 , ASN83 , GLY84 , LYS100 , LEU103 , ASN106 , LEU107
VAL	55	A	15	ALA56 , LYS57 , LEU58 , ASN59 , THR77 , LEU78 , LEU79 , LEU80 , PHE81 , LYS82 , THR89 , LEU99 , LYS100 , LEU103 , LEU107
ALA	56	A	14	LYS57 , LEU58 , ASN59 , ILE60 , ASN63 , THR66 , ALA67 , PRO76 , THR77 , LEU78 , LEU79 , LEU80 , PHE81 , LYS82
LYS	57	A	16	LEU58 , ASN59 , ILE60 , ASP61 , GLN62 , ASN63 , PRO64 , THR66 , ALA67 , ILE75 , PRO76 , THR77 , LEU78 , LEU79 , LEU80 , PHE81
LEU	58	A	21	ASN59 , ILE60 , ASP61 , GLN62 , ASN63 , PRO64 , GLY65 , THR66 , ALA67 , PRO68 , LYS69 , TYR70 , ILE72 , GLY74 , ILE75 , PRO76 , THR77 , LEU78 , LEU79 , LEU80 , PHE81
ASN	59	A	16	ILE60 , ASP61 , GLN62 , ASN63 , PRO64 , GLY65 , THR66 , ALA67 , PRO68 , ILE72 , GLY74 , ILE75 , PRO76 , THR77 , LEU78 , LEU79
ILE	60	A	19	ASP61 , GLN62 , ASN63 , PRO64 , GLY65 , THR66 , ALA67 , PRO68 , LYS69 , TYR70 , GLY71 , ILE72 , ARG73 , GLY74 , ILE75 , PRO76 , THR77 , LEU78 , LEU79
ASP	61	A	12	GLN62 , ASN63 , PRO64 , GLY65 , THR66 , ALA67 , PRO68 , ILE72 , ARG73 , GLY74 , ILE75 , PRO76
GLN	62	A	6	ASN63 , PRO64 , GLY65 , THR66 , ALA67 , PRO68
ASN	63	A	9	PRO64 , GLY65 , THR66 , ALA67 , PRO68 , LYS69 , TYR70 , ILE72 , ILE75
PRO	64	A	11	GLY65 , THR66 , ALA67 , PRO68 , LYS69 , TYR70 , GLY71 , ILE72 , ARG73 , GLY74 , ILE75
GLY	65	A	8	THR66 , ALA67 , PRO68 , LYS69 , TYR70 , GLY71 , ILE72 , ARG73
THR	66	A	14	ALA67 , PRO68 , LYS69 , TYR70 , GLY71 , ILE72 , ARG73 , GLY74 , ILE75 , THR77 , LEU78 , LEU79 , GLU85 , VAL86
ALA	67	A	17	PRO68 , LYS69 , TYR70 , GLY71 , ILE72 , ARG73 , GLY74 , ILE75 , PRO76 , THR77 , LEU78 , LEU79 , LEU80 , VAL86 , THR89 , LYS90 , VAL91
PRO	68	A	10	LYS69 , TYR70 , GLY71 , ILE72 , ARG73 , GLY74 , ILE75 , PRO76 , THR77 , LEU79
LYS	69	A	10	TYR70 , GLY71 , ILE72 , ARG73 , GLY74 , THR77 , LEU79 , GLY84 , GLU85 , VAL86
TYR	70	A	19	GLY71 , ILE72 , ARG73 , GLY74 , ILE75 , PRO76 , THR77 , LEU78 , LEU79 , LEU80 , PHE81 , GLY84 , GLU85 , VAL86 , ALA87 , ALA88 , THR89 , LYS90 , VAL91
GLY	71	A	14	ILE72 , ARG73 , GLY74 , ILE75 , PRO76 , THR77 , LEU78 , LEU79 , GLU85 , VAL86 , ALA88 , THR89 , LYS90 , VAL91
ILE	72	A	14	ARG73 , GLY74 , ILE75 , PRO76 , THR77 , LEU78 , LEU79 , LEU80 , VAL86 , ALA88 , THR89 , LYS90 , VAL91 , GLY92
ARG	73	A	10	GLY74 , ILE75 , PRO76 , THR77 , LEU78 , LEU79 , THR89 , LYS90 , VAL91 , GLY92
GLY	74	A	10	ILE75 , PRO76 , THR77 , LEU78 , LEU79 , THR89 , LYS90 , VAL91 , GLY92 , ALA93
ILE	75	A	10	PRO76 , THR77 , LEU78 , LEU79 , THR89 , LYS90 , VAL91 , GLY92 , ALA93 , LEU94
PRO	76	A	12	THR77 , LEU78 , LEU79 , LEU80 , THR89 , LYS90 , VAL91 , GLY92 , ALA93 , LEU94 , SER95 , LEU99
THR	77	A	16	LEU78 , LEU79 , LEU80 , PHE81 , VAL86 , ALA87 , ALA88 , THR89 , LYS90 , VAL91 , GLY92 , ALA93 , LEU94 , SER95 , LEU99 , PHE102
LEU	78	A	23	LEU79 , LEU80 , PHE81 , LYS82 , GLU85 , VAL86 , ALA87 , ALA88 , THR89 , LYS90 , VAL91 , GLY92 , ALA93 , LEU94 , SER95 , LYS96 , GLN98 , LEU99 , LYS100 , GLU101 , PHE102 , LEU103 , ASN106
LEU	79	A	21	LEU80 , PHE81 , LYS82 , ASN83 , GLY84 , GLU85 , VAL86 , ALA87 , ALA88 , THR89 , LYS90 , VAL91 , GLY92 , ALA93 , LEU94 , LEU99 , PHE102 , LEU103 , ALA105 , ASN106 , LEU107
LEU	80	A	21	PHE81 , LYS82 , ASN83 , GLY84 , GLU85 , VAL86 , ALA87 , ALA88 , THR89 , LYS90 , VAL91 , LEU99 , LYS100 , GLU101 , PHE102 , LEU103 , ASP104 , ALA105 , ASN106 , LEU107 , ALA108
PHE	81	A	16	LYS82 , ASN83 , GLY84 , GLU85 , VAL86 , ALA87 , ALA88 , THR89 , LYS90 , PHE102 , LEU103 , ASP104 , ALA105 , ASN106 , LEU107 , ALA108
LYS	82	A	13	ASN83 , GLY84 , GLU85 , VAL86 , ALA87 , ALA88 , THR89 , LEU103 , ASP104 , ALA105 , ASN106 , LEU107 , ALA108
ASN	83	A	7	GLY84 , GLU85 , VAL86 , ALA87 , ALA88 , ASN106 , LEU107
GLY	84	A	4	GLU85 , VAL86 , ALA87 , ALA88
GLU	85	A	6	VAL86 , ALA87 , ALA88 , THR89 , ASN106 , LEU107
VAL	86	A	9	ALA87 , ALA88 , THR89 , LYS90 , VAL91 , PHE102 , LEU103 , ASN106 , LEU107
ALA	87	A	11	ALA88 , THR89 , LYS90 , VAL91 , PHE102 , LEU103 , ASP104 , ALA105 , ASN106 , LEU107 , ALA108
ALA	88	A	15	THR89 , LYS90 , VAL91 , GLY92 , GLN98 , LEU99 , LYS100 , GLU101 , PHE102 , LEU103 , ASP104 , ALA105 , ASN106 , LEU107 , ALA108
THR	89	A	15	LYS90 , VAL91 , GLY92 , ALA93 , LEU94 , GLN98 , LEU99 , LYS100 , GLU101 , PHE102 , LEU103 , ASP104 , ALA105 , ASN106 , LEU107
LYS	90	A	16	VAL91 , GLY92 , ALA93 , LEU94 , SER95 , LYS96 , GLY97 , GLN98 , LEU99 , LYS100 , GLU101 , PHE102 , LEU103 , ASP104 , ALA105 , ASN106
VAL	91	A	8	GLY92 , ALA93 , LEU94 , SER95 , GLN98 , LEU99 , PHE102 , LEU103
GLY	92	A	7	ALA93 , LEU94 , SER95 , LYS96 , GLN98 , LEU99 , PHE102
ALA	93	A	9	LEU94 , SER95 , LYS96 , GLY97 , GLN98 , LEU99 , LYS100 , GLU101 , PHE102
LEU	94	A	9	SER95 , LYS96 , GLY97 , GLN98 , LEU99 , LYS100 , GLU101 , PHE102 , LEU103
SER	95	A	8	LYS96 , GLY97 , GLN98 , LEU99 , LYS100 , GLU101 , PHE102 , LEU103
LYS	96	A	8	GLY97 , GLN98 , LEU99 , LYS100 , GLU101 , PHE102 , LEU103 , ASP104
GLY	97	A	8	GLN98 , LEU99 , LYS100 , GLU101 , PHE102 , LEU103 , ASP104 , ALA105
GLN	98	A	8	LEU99 , LYS100 , GLU101 , PHE102 , LEU103 , ASP104 , ALA105 , ASN106
LEU	99	A	8	LYS100 , GLU101 , PHE102 , LEU103 , ASP104 , ALA105 , ASN106 , LEU107
LYS	100	A	8	GLU101 , PHE102 , LEU103 , ASP104 , ALA105 , ASN106 , LEU107 , ALA108
GLU	101	A	7	PHE102 , LEU103 , ASP104 , ALA105 , ASN106 , LEU107 , ALA108
PHE	102	A	6	LEU103 , ASP104 , ALA105 , ASN106 , LEU107 , ALA108
LEU	103	A	5	ASP104 , ALA105 , ASN106 , LEU107 , ALA108
ASP	104	A	4	ALA105 , ASN106 , LEU107 , ALA108
ALA	105	A	3	ASN106 , LEU107 , ALA108
ASN	106	A	2	LEU107 , ALA108
LEU	107	A	1	ALA108
ALA	108	A	0

PDB name : 2TRX.pdb  Chain : A

Residue name	Residue number	Chain	No. of contacting residues	Contacting residues
SER	1	A	5	ASP2 , LYS3 , ILE4 , ALA39 , ASP43
ASP	2	A	2	LYS3 , ILE4
LYS	3	A	6	ILE4 , ASP43 , ALA46 , ASP47 , GLN50 , VAL55
ILE	4	A	9	ILE5 , HIS6 , ASP26 , LEU42 , ASP43 , ALA46 , VAL55 , ALA56 , LYS57
ILE	5	A	8	HIS6 , LEU7 , ASP15 , ILE23 , THR54 , VAL55 , ALA56 , LYS57
HIS	6	A	5	HIS6 , LEU7 , THR8 , ALA56 , LYS57
HIS	6	A	5	LEU7 , THR8 , ALA56 , LYS57 , ASN59
LEU	7	A	11	THR8 , SER11 , PHE12 , ASP15 , VAL16 , VAL25 , ALA56 , LYS57 , LEU58 , ASN63 , THR66
THR	8	A	7	ASP9 , ASP10 , SER11 , PHE12 , LEU58 , GLN62 , ASN63
ASP	9	A	6	ASP10 , SER11 , PHE12 , ASN63 , PRO64 , THR66
ASP	10	A	2	SER11 , PHE12
SER	11	A	4	PHE12 , ASP13 , THR14 , ASP15
PHE	12	A	7	ASP13 , THR14 , ASP15 , VAL16 , LEU17 , LEU58 , THR66
ASP	13	A	5	THR14 , ASP15 , VAL16 , LEU17 , LYS18
THR	14	A	4	ASP15 , VAL16 , LEU17 , LYS18
ASP	15	A	5	VAL16 , LYS18 , ALA19 , ILE23 , ALA56
VAL	16	A	7	LEU17 , LYS18 , ALA19 , ILE23 , VAL25 , ALA56 , PHE81
LEU	17	A	3	LYS18 , ALA19 , PHE81
LYS	18	A	1	ALA19
ALA	19	A	5	ASP20 , ALA22 , ILE23 , THR54 , PHE81
ASP	20	A	0
ALA	22	A	11	ILE23 , LEU24 , LYS52 , LEU53 , THR54 , LEU80 , PHE81 , LYS82 , ALA87 , ASN106 , LEU107
ILE	23	A	9	LEU24 , VAL25 , LEU53 , THR54 , VAL55 , ALA56 , LEU80 , PHE81 , LYS82
LEU	24	A	13	VAL25 , ASP26 , LEU42 , ILE45 , LEU53 , THR54 , VAL55 , ALA56 , LEU78 , LEU79 , LEU80 , PHE81 , LEU103
VAL	25	A	9	ASP26 , PHE27 , ALA56 , LYS57 , LEU58 , LEU78 , LEU79 , LEU80 , PHE81
ASP	26	A	11	PHE27 , TRP28 , CYS35 , ILE38 , LEU42 , VAL55 , ALA56 , LYS57 , LEU58 , PRO76 , LEU78
PHE	27	A	11	TRP28 , LEU58 , ILE60 , THR66 , ALA67 , ILE72 , ILE75 , PRO76 , THR77 , LEU78 , LEU79
TRP	28	A	12	ALA29 , GLU30 , CYS32 , CYS35 , LYS36 , ALA39 , LYS57 , LEU58 , ASN59 , ILE60 , ILE75 , PRO76
ALA	29	A	8	GLU30 , TRP31 , CYS32 , CYS35 , ASN59 , ILE60 , ASP61 , ILE75
GLU	30	A	5	TRP31 , CYS32 , LYS36 , ASN59 , ASP61
TRP	31	A	2	CYS32 , ASP61
CYS	32	A	5	PRO34 , CYS35 , LYS36 , ILE75 , PRO76
PRO	34	A	7	CYS35 , LYS36 , MET37 , ILE38 , ILE75 , PRO76 , ALA93
CYS	35	A	7	LYS36 , MET37 , ILE38 , ALA39 , ILE75 , PRO76 , ALA93
LYS	36	A	3	MET37 , ILE38 , ALA39
MET	37	A	3	ILE38 , ALA39 , ALA93
ILE	38	A	8	ALA39 , PRO40 , ILE41 , LEU42 , PRO76 , ALA93 , LEU94 , LEU99
ALA	39	A	4	PRO40 , ILE41 , LEU42 , ASP43
PRO	40	A	4	ILE41 , LEU42 , ASP43 , GLU44
ILE	41	A	8	LEU42 , ASP43 , GLU44 , ILE45 , LEU94 , SER95 , LYS96 , LEU99
LEU	42	A	6	ASP43 , GLU44 , ILE45 , ALA46 , VAL55 , LYS57
ASP	43	A	4	GLU44 , ILE45 , ALA46 , ASP47
GLU	44	A	5	ILE45 , ALA46 , ASP47 , GLU48 , LYS96
ILE	45	A	10	ALA46 , ASP47 , GLU48 , TYR49 , LEU53 , VAL55 , LYS96 , LEU99 , LYS100 , LEU103
ALA	46	A	6	ASP47 , GLU48 , TYR49 , GLN50 , LEU53 , VAL55
ASP	47	A	3	GLU48 , TYR49 , GLN50
GLU	48	A	3	TYR49 , GLN50 , LYS100
TYR	49	A	6	GLN50 , LYS52 , LEU53 , VAL55 , LEU103 , LEU107
GLN	50	A	2	LYS52 , LEU53
LYS	52	A	2	LEU53 , LEU107
LEU	53	A	4	THR54 , VAL55 , LEU103 , LEU107
THR	54	A	2	VAL55 , ALA56
VAL	55	A	2	ALA56 , LYS57
ALA	56	A	2	LYS57 , LEU58
LYS	57	A	2	LEU58 , ASN59
LEU	58	A	5	ASN59 , ILE60 , ASN63 , THR66 , ALA67
ASN	59	A	4	ILE60 , ASP61 , GLN62 , ASN63
ILE	60	A	8	ASP61 , GLN62 , ASN63 , PRO64 , THR66 , ALA67 , ILE72 , ILE75
ASP	61	A	3	GLN62 , ASN63 , PRO64
GLN	62	A	2	ASN63 , PRO64
ASN	63	A	2	PRO64 , THR66
PRO	64	A	2	ALA67 , PRO68
THR	66	A	4	ALA67 , PRO68 , LYS69 , TYR70
ALA	67	A	6	PRO68 , LYS69 , TYR70 , ILE72 , ILE75 , THR77
PRO	68	A	3	LYS69 , TYR70 , ILE72
LYS	69	A	1	TYR70
TYR	70	A	3	ILE72 , LEU79 , VAL86
ILE	72	A	3	ARG73 , ILE75 , THR77
ARG	73	A	2	THR77 , VAL91
ILE	75	A	2	PRO76 , THR77
PRO	76	A	4	THR77 , LEU78 , VAL91 , ALA93
THR	77	A	5	LEU78 , LEU79 , THR89 , LYS90 , VAL91
LEU	78	A	7	LEU79 , LEU80 , THR89 , LYS90 , VAL91 , LEU99 , PHE102
LEU	79	A	4	LEU80 , PHE81 , VAL86 , THR89
LEU	80	A	9	PHE81 , LYS82 , VAL86 , ALA87 , ALA88 , THR89 , PHE102 , LEU103 , ASN106
PHE	81	A	5	LYS82 , ASN83 , GLU85 , VAL86 , ALA87
LYS	82	A	4	ASN83 , GLU85 , ALA87 , ASN106
ASN	83	A	1	GLU85
GLU	85	A	2	VAL86 , ALA87
VAL	86	A	3	ALA87 , ALA88 , THR89
ALA	87	A	2	ALA88 , ASN106
ALA	88	A	5	THR89 , LYS90 , PHE102 , ALA105 , ASN106
THR	89	A	2	LYS90 , VAL91
LYS	90	A	4	VAL91 , LEU94 , LEU99 , PHE102
VAL	91	A	0
ALA	93	A	1	LEU94
LEU	94	A	4	SER95 , GLN98 , LEU99 , PHE102
SER	95	A	3	LYS96 , GLN98 , LEU99
LYS	96	A	3	GLN98 , LEU99 , LYS100
GLN	98	A	4	LEU99 , LYS100 , GLU101 , PHE102
LEU	99	A	4	LYS100 , GLU101 , PHE102 , LEU103
LYS	100	A	4	GLU101 , PHE102 , LEU103 , ASP104
GLU	101	A	4	PHE102 , LEU103 , ASP104 , ALA105
PHE	102	A	4	LEU103 , ASP104 , ALA105 , ASN106
LEU	103	A	4	ASP104 , ALA105 , ASN106 , LEU107
ASP	104	A	3	ALA105 , ASN106 , LEU107
ALA	105	A	2	ASN106 , LEU107
ASN	106	A	1	LEU107
LEU	107	A	1	ALA108
ALA	108	A	0

PDB name : 2TRX.pdb  Chain : A

Residue name	Residue number	Chain	No. of contacting residues	Contacting residues
SER	1	A	26	ASP2 , LYS3 , ILE4 , ILE5 , HIS6 , LEU7 , ASP26 , TRP28 , GLU30 , CYS35 , LYS36 , ILE38 , ALA39 , PRO40 , ILE41 , LEU42 , ASP43 , GLU44 , ILE45 , ALA46 , ASP47 , THR54 , VAL55 , ALA56 , LYS57 , ASN59
ASP	2	A	17	LYS3 , ILE4 , ILE5 , HIS6 , ALA39 , PRO40 , LEU42 , ASP43 , GLU44 , ILE45 , ALA46 , ASP47 , GLN50 , THR54 , VAL55 , ALA56 , LYS57
LYS	3	A	25	ILE4 , ILE5 , HIS6 , LEU7 , ILE23 , LEU24 , ASP26 , ALA39 , PRO40 , ILE41 , LEU42 , ASP43 , GLU44 , ILE45 , ALA46 , ASP47 , GLU48 , TYR49 , GLN50 , LYS52 , LEU53 , THR54 , VAL55 , ALA56 , LYS57
ILE	4	A	37	ILE5 , HIS6 , LEU7 , THR8 , SER11 , ASP15 , VAL16 , ILE23 , LEU24 , VAL25 , ASP26 , PHE27 , TRP28 , CYS35 , LYS36 , ILE38 , ALA39 , PRO40 , ILE41 , LEU42 , ASP43 , GLU44 , ILE45 , ALA46 , ASP47 , GLU48 , TYR49 , GLN50 , LEU53 , THR54 , VAL55 , ALA56 , LYS57 , LEU58 , ASN59 , PRO76 , LEU78
ILE	5	A	39	HIS6 , LEU7 , THR8 , ASP10 , SER11 , PHE12 , ASP13 , THR14 , ASP15 , VAL16 , LEU17 , LYS18 , ALA19 , ASP20 , ALA22 , ILE23 , LEU24 , VAL25 , ASP26 , PHE27 , TRP28 , LEU42 , ASP43 , ILE45 , ALA46 , TYR49 , GLN50 , LEU53 , THR54 , VAL55 , ALA56 , LYS57 , LEU58 , ASN59 , ASN63 , THR66 , LEU78 , LEU79 , PHE81
HIS	6	A	29	HIS6 , LEU7 , THR8 , ASP9 , ASP10 , SER11 , PHE12 , THR14 , ASP15 , VAL16 , ILE23 , VAL25 , ASP26 , PHE27 , TRP28 , ALA39 , LEU42 , ALA46 , THR54 , VAL55 , ALA56 , LYS57 , LEU58 , ASN59 , ILE60 , ASP61 , GLN62 , ASN63 , THR66
HIS	6	A	32	LEU7 , THR8 , ASP9 , ASP10 , SER11 , PHE12 , THR14 , ASP15 , VAL16 , ILE23 , LEU24 , VAL25 , ASP26 , PHE27 , TRP28 , ALA29 , GLU30 , ALA39 , LEU42 , ASP43 , ALA46 , THR54 , VAL55 , ALA56 , LYS57 , LEU58 , ASN59 , ILE60 , ASP61 , GLN62 , ASN63 , THR66
LEU	7	A	40	THR8 , ASP9 , ASP10 , SER11 , PHE12 , ASP13 , THR14 , ASP15 , VAL16 , LEU17 , LYS18 , ALA19 , ILE23 , LEU24 , VAL25 , ASP26 , PHE27 , TRP28 , ALA29 , LEU42 , THR54 , VAL55 , ALA56 , LYS57 , LEU58 , ASN59 , ILE60 , ASP61 , GLN62 , ASN63 , PRO64 , THR66 , ALA67 , LYS69 , TYR70 , ILE72 , THR77 , LEU78 , LEU79 , PHE81
THR	8	A	24	ASP9 , ASP10 , SER11 , PHE12 , ASP13 , THR14 , ASP15 , VAL16 , LEU17 , VAL25 , PHE27 , TRP28 , ALA56 , LYS57 , LEU58 , ASN59 , ILE60 , ASP61 , GLN62 , ASN63 , PRO64 , THR66 , ALA67 , LYS69
ASP	9	A	25	ASP10 , SER11 , PHE12 , ASP13 , THR14 , ASP15 , VAL16 , LEU17 , VAL25 , PHE27 , ALA56 , LYS57 , LEU58 , ASN59 , ILE60 , ASP61 , GLN62 , ASN63 , PRO64 , THR66 , ALA67 , PRO68 , LYS69 , TYR70 , ILE72
ASP	10	A	15	SER11 , PHE12 , ASP13 , THR14 , ASP15 , VAL16 , LEU17 , LYS18 , LEU58 , ASN59 , GLN62 , ASN63 , PRO64 , THR66 , LYS69
SER	11	A	19	PHE12 , ASP13 , THR14 , ASP15 , VAL16 , LEU17 , LYS18 , ALA19 , ILE23 , VAL25 , THR54 , ALA56 , LYS57 , LEU58 , ASN59 , GLN62 , ASN63 , THR66 , PHE81
PHE	12	A	31	ASP13 , THR14 , ASP15 , VAL16 , LEU17 , LYS18 , ALA19 , ILE23 , LEU24 , VAL25 , ASP26 , PHE27 , THR54 , ALA56 , LYS57 , LEU58 , ASN59 , ILE60 , GLN62 , ASN63 , PRO64 , THR66 , ALA67 , PRO68 , LYS69 , TYR70 , ILE72 , LEU79 , PHE81 , GLU85 , VAL86
ASP	13	A	18	THR14 , ASP15 , VAL16 , LEU17 , LYS18 , ALA19 , ILE23 , VAL25 , ALA56 , LEU58 , ASN63 , THR66 , LYS69 , TYR70 , PHE81 , ASN83 , GLU85 , VAL86
THR	14	A	14	ASP15 , VAL16 , LEU17 , LYS18 , ALA19 , ASP20 , ILE23 , VAL25 , THR54 , ALA56 , LEU58 , ASN63 , THR66 , PHE81
ASP	15	A	19	VAL16 , LEU17 , LYS18 , ALA19 , ASP20 , ALA22 , ILE23 , LEU24 , VAL25 , ASP26 , THR54 , VAL55 , ALA56 , LYS57 , LEU58 , ASN63 , THR66 , LEU79 , PHE81
VAL	16	A	32	LEU17 , LYS18 , ALA19 , ASP20 , ALA22 , ILE23 , LEU24 , VAL25 , ASP26 , PHE27 , LEU53 , THR54 , VAL55 , ALA56 , LYS57 , LEU58 , ASN63 , THR66 , ALA67 , LYS69 , TYR70 , ILE72 , LEU78 , LEU79 , LEU80 , PHE81 , LYS82 , ASN83 , GLU85 , VAL86 , ALA87 , THR89
LEU	17	A	20	LYS18 , ALA19 , ASP20 , ALA22 , ILE23 , VAL25 , THR54 , ALA56 , LEU58 , THR66 , LYS69 , TYR70 , LEU79 , LEU80 , PHE81 , LYS82 , ASN83 , GLU85 , VAL86 , ALA87
LYS	18	A	11	ALA19 , ASP20 , ALA22 , ILE23 , VAL25 , THR54 , ALA56 , PHE81 , LYS82 , ASN83 , GLU85
ALA	19	A	20	ASP20 , ALA22 , ILE23 , LEU24 , VAL25 , LYS52 , LEU53 , THR54 , VAL55 , ALA56 , LEU58 , LEU79 , LEU80 , PHE81 , LYS82 , ASN83 , GLU85 , VAL86 , ALA87 , LEU107
ASP	20	A	10	ALA22 , ILE23 , LEU24 , LYS52 , LEU53 , THR54 , ALA56 , PHE81 , LYS82 , ASN83
ALA	22	A	35	ILE23 , LEU24 , VAL25 , ASP26 , ILE45 , ALA46 , GLU48 , TYR49 , GLN50 , LYS52 , LEU53 , THR54 , VAL55 , ALA56 , LEU78 , LEU79 , LEU80 , PHE81 , LYS82 , ASN83 , GLU85 , VAL86 , ALA87 , ALA88 , THR89 , LYS90 , LEU99 , LYS100 , PHE102 , LEU103 , ASP104 , ALA105 , ASN106 , LEU107 , ALA108
ILE	23	A	32	LEU24 , VAL25 , ASP26 , PHE27 , LEU42 , ILE45 , ALA46 , TYR49 , GLN50 , LYS52 , LEU53 , THR54 , VAL55 , ALA56 , LYS57 , LEU58 , THR66 , TYR70 , LEU78 , LEU79 , LEU80 , PHE81 , LYS82 , ASN83 , GLU85 , VAL86 , ALA87 , ALA88 , THR89 , LEU103 , ASN106 , LEU107
LEU	24	A	50	VAL25 , ASP26 , PHE27 , TRP28 , ILE38 , ALA39 , ILE41 , LEU42 , ASP43 , GLU44 , ILE45 , ALA46 , ASP47 , GLU48 , TYR49 , GLN50 , LYS52 , LEU53 , THR54 , VAL55 , ALA56 , LYS57 , LEU58 , TYR70 , PRO76 , THR77 , LEU78 , LEU79 , LEU80 , PHE81 , LYS82 , GLU85 , VAL86 , ALA87 , ALA88 , THR89 , LYS90 , VAL91 , LEU94 , LYS96 , GLN98 , LEU99 , LYS100 , GLU101 , PHE102 , LEU103 , ASP104 , ALA105 , ASN106 , LEU107
VAL	25	A	42	ASP26 , PHE27 , TRP28 , CYS35 , ILE38 , ALA39 , LEU42 , ILE45 , ALA46 , LEU53 , THR54 , VAL55 , ALA56 , LYS57 , LEU58 , ASN59 , ILE60 , ASN63 , THR66 , ALA67 , LYS69 , TYR70 , ILE72 , ILE75 , PRO76 , THR77 , LEU78 , LEU79 , LEU80 , PHE81 , LYS82 , GLU85 , VAL86 , ALA87 , ALA88 , THR89 , LYS90 , VAL91 , LEU99 , PHE102 , LEU103 , ASN106
ASP	26	A	51	PHE27 , TRP28 , ALA29 , GLU30 , CYS32 , PRO34 , CYS35 , LYS36 , MET37 , ILE38 , ALA39 , PRO40 , ILE41 , LEU42 , ASP43 , GLU44 , ILE45 , ALA46 , TYR49 , LEU53 , THR54 , VAL55 , ALA56 , LYS57 , LEU58 , ASN59 , ILE60 , ASP61 , GLN62 , ASN63 , THR66 , ALA67 , TYR70 , ILE72 , ILE75 , PRO76 , THR77 , LEU78 , LEU79 , LEU80 , PHE81 , VAL86 , ALA88 , THR89 , LYS90 , VAL91 , ALA93 , LEU94 , LEU99 , PHE102 , LEU103
PHE	27	A	40	TRP28 , ALA29 , GLU30 , TRP31 , CYS32 , PRO34 , CYS35 , LYS36 , ILE38 , ALA39 , LEU42 , VAL55 , ALA56 , LYS57 , LEU58 , ASN59 , ILE60 , ASP61 , GLN62 , ASN63 , PRO64 , THR66 , ALA67 , PRO68 , LYS69 , TYR70 , ILE72 , ARG73 , ILE75 , PRO76 , THR77 , LEU78 , LEU79 , LEU80 , PHE81 , VAL86 , THR89 , LYS90 , VAL91 , ALA93
TRP	28	A	36	ALA29 , GLU30 , TRP31 , CYS32 , PRO34 , CYS35 , LYS36 , MET37 , ILE38 , ALA39 , PRO40 , ILE41 , LEU42 , ASP43 , VAL55 , ALA56 , LYS57 , LEU58 , ASN59 , ILE60 , ASP61 , GLN62 , ASN63 , PRO64 , THR66 , ALA67 , ILE72 , ILE75 , PRO76 , THR77 , LEU78 , LEU79 , LYS90 , VAL91 , ALA93 , LEU94
ALA	29	A	25	GLU30 , TRP31 , CYS32 , PRO34 , CYS35 , LYS36 , MET37 , ILE38 , ALA39 , LYS57 , LEU58 , ASN59 , ILE60 , ASP61 , GLN62 , ASN63 , PRO64 , THR66 , ALA67 , ILE72 , ARG73 , ILE75 , PRO76 , THR77 , ALA93
GLU	30	A	17	TRP31 , CYS32 , PRO34 , CYS35 , LYS36 , MET37 , ILE38 , ALA39 , LYS57 , LEU58 , ASN59 , ILE60 , ASP61 , GLN62 , ASN63 , ILE75 , PRO76
TRP	31	A	13	CYS32 , PRO34 , CYS35 , LYS36 , MET37 , ALA39 , ASN59 , ILE60 , ASP61 , GLN62 , PRO64 , ILE75 , PRO76
CYS	32	A	22	PRO34 , CYS35 , LYS36 , MET37 , ILE38 , ALA39 , LEU42 , LYS57 , LEU58 , ASN59 , ILE60 , ASP61 , GLN62 , ALA67 , ILE72 , ARG73 , ILE75 , PRO76 , THR77 , LEU78 , VAL91 , ALA93
PRO	34	A	20	CYS35 , LYS36 , MET37 , ILE38 , ALA39 , PRO40 , ILE41 , LEU42 , ILE60 , ILE75 , PRO76 , THR77 , LEU78 , LYS90 , VAL91 , ALA93 , LEU94 , SER95 , GLN98 , LEU99
CYS	35	A	26	LYS36 , MET37 , ILE38 , ALA39 , PRO40 , ILE41 , LEU42 , ASP43 , VAL55 , LYS57 , LEU58 , ASN59 , ILE60 , ASP61 , GLN62 , ALA67 , ILE72 , ILE75 , PRO76 , THR77 , LEU78 , LYS90 , VAL91 , ALA93 , LEU94 , LEU99
LYS	36	A	14	MET37 , ILE38 , ALA39 , PRO40 , ILE41 , LEU42 , ASP43 , LYS57 , ASN59 , ILE60 , ASP61 , ILE75 , PRO76 , ALA93
MET	37	A	16	ILE38 , ALA39 , PRO40 , ILE41 , LEU42 , ASP43 , GLU44 , ILE75 , PRO76 , LEU78 , ALA93 , LEU94 , SER95 , LYS96 , GLN98 , LEU99
ILE	38	A	27	ALA39 , PRO40 , ILE41 , LEU42 , ASP43 , GLU44 , ILE45 , ALA46 , VAL55 , ALA56 , LYS57 , ILE75 , PRO76 , THR77 , LEU78 , LEU79 , LYS90 , VAL91 , ALA93 , LEU94 , SER95 , LYS96 , GLN98 , LEU99 , LYS100 , PHE102 , LEU103
ALA	39	A	21	PRO40 , ILE41 , LEU42 , ASP43 , GLU44 , ILE45 , ALA46 , ASP47 , VAL55 , ALA56 , LYS57 , LEU58 , ASN59 , ILE75 , PRO76 , LEU78 , ALA93 , LEU94 , SER95 , LYS96 , LEU99
PRO	40	A	16	ILE41 , LEU42 , ASP43 , GLU44 , ILE45 , ALA46 , ASP47 , GLU48 , VAL55 , LYS57 , PRO76 , ALA93 , LEU94 , SER95 , LYS96 , LEU99
ILE	41	A	24	LEU42 , ASP43 , GLU44 , ILE45 , ALA46 , ASP47 , GLU48 , TYR49 , LEU53 , VAL55 , LYS57 , PRO76 , LEU78 , LYS90 , ALA93 , LEU94 , SER95 , LYS96 , GLN98 , LEU99 , LYS100 , GLU101 , PHE102 , LEU103
LEU	42	A	31	ASP43 , GLU44 , ILE45 , ALA46 , ASP47 , GLU48 , TYR49 , GLN50 , LEU53 , THR54 , VAL55 , ALA56 , LYS57 , LEU58 , ASN59 , ILE75 , PRO76 , THR77 , LEU78 , LEU79 , LEU80 , LYS90 , ALA93 , LEU94 , SER95 , LYS96 , GLN98 , LEU99 , LYS100 , PHE102 , LEU103
ASP	43	A	15	GLU44 , ILE45 , ALA46 , ASP47 , GLU48 , TYR49 , GLN50 , LEU53 , THR54 , VAL55 , ALA56 , LYS57 , LYS96 , LEU99 , LYS100
GLU	44	A	16	ILE45 , ALA46 , ASP47 , GLU48 , TYR49 , GLN50 , LYS52 , LEU53 , VAL55 , LEU94 , SER95 , LYS96 , GLN98 , LEU99 , LYS100 , LEU103
ILE	45	A	28	ALA46 , ASP47 , GLU48 , TYR49 , GLN50 , LYS52 , LEU53 , THR54 , VAL55 , ALA56 , LYS57 , PRO76 , LEU78 , LEU80 , LYS90 , ALA93 , LEU94 , SER95 , LYS96 , GLN98 , LEU99 , LYS100 , GLU101 , PHE102 , LEU103 , ASP104 , ASN106 , LEU107
ALA	46	A	16	ASP47 , GLU48 , TYR49 , GLN50 , LYS52 , LEU53 , THR54 , VAL55 , ALA56 , LYS57 , LEU78 , LEU80 , LYS96 , LEU99 , LYS100 , LEU103
ASP	47	A	11	GLU48 , TYR49 , GLN50 , LYS52 , LEU53 , THR54 , VAL55 , LYS96 , LEU99 , LYS100 , LEU103
GLU	48	A	14	TYR49 , GLN50 , LYS52 , LEU53 , THR54 , VAL55 , LYS96 , LEU99 , LYS100 , GLU101 , PHE102 , LEU103 , ASP104 , LEU107
TYR	49	A	20	GLN50 , LYS52 , LEU53 , THR54 , VAL55 , ALA56 , LEU78 , LEU80 , LYS82 , LYS96 , LEU99 , LYS100 , GLU101 , PHE102 , LEU103 , ASP104 , ALA105 , ASN106 , LEU107 , ALA108
GLN	50	A	8	LYS52 , LEU53 , THR54 , VAL55 , ALA56 , LYS100 , LEU103 , LEU107
LYS	52	A	15	LEU53 , THR54 , VAL55 , LEU80 , PHE81 , LYS82 , ALA87 , LEU99 , LYS100 , LEU103 , ASP104 , ALA105 , ASN106 , LEU107 , ALA108
LEU	53	A	20	THR54 , VAL55 , ALA56 , LEU78 , LEU79 , LEU80 , PHE81 , LYS82 , ALA87 , ALA88 , LYS96 , LEU99 , LYS100 , PHE102 , LEU103 , ASP104 , ALA105 , ASN106 , LEU107 , ALA108
THR	54	A	14	VAL55 , ALA56 , LYS57 , LEU58 , LEU78 , LEU79 , LEU80 , PHE81 , LYS82 , ASN83 , ALA87 , LEU103 , ASN106 , LEU107
VAL	55	A	16	ALA56 , LYS57 , LEU58 , PRO76 , LEU78 , LEU79 , LEU80 , PHE81 , LYS90 , LYS96 , LEU99 , LYS100 , PHE102 , LEU103 , ASN106 , LEU107
ALA	56	A	16	LYS57 , LEU58 , ASN59 , ILE60 , ASN63 , THR66 , ALA67 , TYR70 , PRO76 , THR77 , LEU78 , LEU79 , LEU80 , PHE81 , LYS82 , VAL86
LYS	57	A	15	LEU58 , ASN59 , ILE60 , ASP61 , GLN62 , ASN63 , THR66 , ALA67 , ILE72 , ILE75 , PRO76 , THR77 , LEU78 , LEU79 , PHE81
LEU	58	A	21	ASN59 , ILE60 , ASP61 , GLN62 , ASN63 , PRO64 , THR66 , ALA67 , PRO68 , LYS69 , TYR70 , ILE72 , ILE75 , PRO76 , THR77 , LEU78 , LEU79 , LEU80 , PHE81 , VAL86 , THR89
ASN	59	A	11	ILE60 , ASP61 , GLN62 , ASN63 , PRO64 , THR66 , ALA67 , ILE72 , ILE75 , PRO76 , THR77
ILE	60	A	17	ASP61 , GLN62 , ASN63 , PRO64 , THR66 , ALA67 , PRO68 , LYS69 , TYR70 , ILE72 , ARG73 , ILE75 , PRO76 , THR77 , LEU78 , LEU79 , VAL91
ASP	61	A	9	GLN62 , ASN63 , PRO64 , THR66 , ALA67 , PRO68 , ILE72 , ILE75 , PRO76
GLN	62	A	5	ASN63 , PRO64 , THR66 , ALA67 , ILE75
ASN	63	A	10	PRO64 , THR66 , ALA67 , PRO68 , LYS69 , TYR70 , ILE72 , ILE75 , THR77 , LEU79
PRO	64	A	7	THR66 , ALA67 , PRO68 , LYS69 , TYR70 , ILE72 , ILE75
THR	66	A	13	ALA67 , PRO68 , LYS69 , TYR70 , ILE72 , ARG73 , ILE75 , THR77 , LEU78 , LEU79 , PHE81 , VAL86 , THR89
ALA	67	A	13	PRO68 , LYS69 , TYR70 , ILE72 , ARG73 , ILE75 , PRO76 , THR77 , LEU78 , LEU79 , VAL86 , THR89 , VAL91
PRO	68	A	7	LYS69 , TYR70 , ILE72 , ARG73 , ILE75 , THR77 , LEU79
LYS	69	A	9	TYR70 , ILE72 , ARG73 , THR77 , LEU79 , PHE81 , GLU85 , VAL86 , THR89
TYR	70	A	16	ILE72 , ARG73 , ILE75 , PRO76 , THR77 , LEU78 , LEU79 , LEU80 , PHE81 , GLU85 , VAL86 , ALA87 , ALA88 , THR89 , LYS90 , VAL91
ILE	72	A	12	ARG73 , ILE75 , PRO76 , THR77 , LEU78 , LEU79 , LEU80 , PHE81 , VAL86 , THR89 , LYS90 , VAL91
ARG	73	A	8	ILE75 , PRO76 , THR77 , LEU78 , LEU79 , THR89 , LYS90 , VAL91
ILE	75	A	9	PRO76 , THR77 , LEU78 , LEU79 , THR89 , LYS90 , VAL91 , ALA93 , LEU94
PRO	76	A	13	THR77 , LEU78 , LEU79 , LEU80 , THR89 , LYS90 , VAL91 , ALA93 , LEU94 , SER95 , GLN98 , LEU99 , PHE102
THR	77	A	13	LEU78 , LEU79 , LEU80 , PHE81 , VAL86 , ALA88 , THR89 , LYS90 , VAL91 , ALA93 , LEU94 , LEU99 , PHE102
LEU	78	A	23	LEU79 , LEU80 , PHE81 , LYS82 , VAL86 , ALA87 , ALA88 , THR89 , LYS90 , VAL91 , ALA93 , LEU94 , SER95 , LYS96 , GLN98 , LEU99 , LYS100 , GLU101 , PHE102 , LEU103 , ALA105 , ASN106 , LEU107
LEU	79	A	15	LEU80 , PHE81 , LYS82 , ASN83 , GLU85 , VAL86 , ALA87 , ALA88 , THR89 , LYS90 , VAL91 , LEU99 , PHE102 , LEU103 , ASN106
LEU	80	A	22	PHE81 , LYS82 , ASN83 , GLU85 , VAL86 , ALA87 , ALA88 , THR89 , LYS90 , VAL91 , LEU94 , GLN98 , LEU99 , LYS100 , GLU101 , PHE102 , LEU103 , ASP104 , ALA105 , ASN106 , LEU107 , ALA108
PHE	81	A	11	LYS82 , ASN83 , GLU85 , VAL86 , ALA87 , ALA88 , THR89 , LYS90 , LEU103 , ASN106 , LEU107
LYS	82	A	12	ASN83 , GLU85 , VAL86 , ALA87 , ALA88 , THR89 , PHE102 , LEU103 , ALA105 , ASN106 , LEU107 , ALA108
ASN	83	A	7	GLU85 , VAL86 , ALA87 , ALA88 , ASN106 , LEU107 , ALA108
GLU	85	A	5	VAL86 , ALA87 , ALA88 , THR89 , ASN106
VAL	86	A	7	ALA87 , ALA88 , THR89 , LYS90 , VAL91 , PHE102 , ASN106
ALA	87	A	10	ALA88 , THR89 , LYS90 , PHE102 , LEU103 , ASP104 , ALA105 , ASN106 , LEU107 , ALA108
ALA	88	A	15	THR89 , LYS90 , VAL91 , LEU94 , GLN98 , LEU99 , LYS100 , GLU101 , PHE102 , LEU103 , ASP104 , ALA105 , ASN106 , LEU107 , ALA108
THR	89	A	9	LYS90 , VAL91 , LEU94 , GLN98 , LEU99 , PHE102 , LEU103 , ALA105 , ASN106
LYS	90	A	15	VAL91 , ALA93 , LEU94 , SER95 , LYS96 , GLN98 , LEU99 , LYS100 , GLU101 , PHE102 , LEU103 , ASP104 , ALA105 , ASN106 , LEU107
VAL	91	A	5	ALA93 , LEU94 , GLN98 , LEU99 , PHE102
ALA	93	A	6	LEU94 , SER95 , LYS96 , GLN98 , LEU99 , PHE102
LEU	94	A	10	SER95 , LYS96 , GLN98 , LEU99 , LYS100 , GLU101 , PHE102 , LEU103 , ASP104 , ALA105
SER	95	A	7	LYS96 , GLN98 , LEU99 , LYS100 , GLU101 , PHE102 , LEU103
LYS	96	A	7	GLN98 , LEU99 , LYS100 , GLU101 , PHE102 , LEU103 , ASP104
GLN	98	A	8	LEU99 , LYS100 , GLU101 , PHE102 , LEU103 , ASP104 , ALA105 , ASN106
LEU	99	A	8	LYS100 , GLU101 , PHE102 , LEU103 , ASP104 , ALA105 , ASN106 , LEU107
LYS	100	A	8	GLU101 , PHE102 , LEU103 , ASP104 , ALA105 , ASN106 , LEU107 , ALA108
GLU	101	A	7	PHE102 , LEU103 , ASP104 , ALA105 , ASN106 , LEU107 , ALA108
PHE	102	A	6	LEU103 , ASP104 , ALA105 , ASN106 , LEU107 , ALA108
LEU	103	A	5	ASP104 , ALA105 , ASN106 , LEU107 , ALA108
ASP	104	A	4	ALA105 , ASN106 , LEU107 , ALA108
ALA	105	A	3	ASN106 , LEU107 , ALA108
ASN	106	A	2	LEU107 , ALA108
LEU	107	A	1	ALA108
ALA	108	A	0

PDB ID : 2TRX.pdb chain name : A

Multiple contact index = 0.083

-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Multiple contact index for 3 state protein

PDB ID : 2TRX.pdb chain name : A

Multiple contact index = 6 

-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

Frequency of amino acids in high B-value regions



PDB ID : 2TRX.pdb  Chain name : A

Residue name	ALA	ARG	ASN	ASP	CYS	GLN	GLU	GLY	HIS	ILE	LEU	LYS	MET	PHE	PRO	SER	THR	TRP	TYR	VAL
Composition of residues	0.70	4.19	1.05	0.76	2.10	2.79	1.68	1.86	0.00	0.47	0.32	1.26	4.19	0.00	1.68	1.40	0.00	2.10	2.10	0.00

N.D : Not Defined

Residue name	ALA	ARG	ASN	ASP	CYS	GLN	GLU	GLY	HIS	ILE	LEU	LYS	MET	PHE	PRO	SER	THR	TRP	TYR	VAL
Residue	0	0	0	1	0	0	0	3	0	1	0	0	0	0	1	0	0	0	0	0
Residue total	12	1	4	11	2	3	5	9	1	9	13	10	1	4	5	3	6	2	2	5
Frequency	0.00	0.00	0.00	1.64	0.00	0.00	0.00	6.00	0.00	2.00	0.00	0.00	0.00	0.00	3.60	0.00	0.00	0.00	0.00	0.00

N.D - Not Defined
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Frequency of occurence in turns

PDB ID :  2TRX.pdb    Chain name : A

Residue name	ALA	ARG	ASN	ASP	CYS	GLN	GLU	GLY	HIS	ILE	LEU	LYS	MET	PHE	PRO	SER	THR	TRP	TYR	VAL
Residue	0	0	1	4	0	2	1	4	0	1	1	3	0	0	1	1	0	1	2	1
Residue total	12	1	4	11	2	3	5	9	1	9	13	10	1	4	5	3	6	2	2	5
Frequency	0.00	0.00	1.17	1.71	0.00	3.13	0.94	2.09	0.00	0.52	0.36	1.41	0.00	0.00	0.94	1.57	0.00	2.35	4.70	0.94

PDB ID :  2TRX.pdb                  Chain name : A

Residue name	ALA	ARG	ASN	ASP	CYS	GLN	GLU	GLY	HIS	ILE	LEU	LYS	MET	PHE	PRO	SER	THR	TRP	TYR	VAL
Residue	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0
Residue total	12	1	4	11	2	3	5	9	1	9	13	10	1	4	5	3	6	2	2	5
Frequency	0.00	0.00	0.00	3.27	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	9.00	0.00	0.00	6.00	0.00	0.00	0.00

PDB ID :  2TRX.pdb                  Chain name : A

Residue name	ALA	ARG	ASN	ASP	CYS	GLN	GLU	GLY	HIS	ILE	LEU	LYS	MET	PHE	PRO	SER	THR	TRP	TYR	VAL
Residue	1	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0
Residue total	12	1	4	11	2	3	5	9	1	9	13	10	1	4	5	3	6	2	2	5
Frequency	3.00	0.00	9.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	2.77	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00

PDB ID :  2TRX.pdb                  Chain name : A

Residue name	ALA	ARG	ASN	ASP	CYS	GLN	GLU	GLY	HIS	ILE	LEU	LYS	MET	PHE	PRO	SER	THR	TRP	TYR	VAL
Residue	3	0	0	4	1	1	3	2	0	3	3	4	1	1	3	0	1	0	0	0
Residue total	12	1	4	11	2	3	5	9	1	9	13	10	1	4	5	3	6	2	2	5
Frequency	0.90	0.00	0.00	1.31	1.80	1.20	2.16	0.80	0.00	1.20	0.83	1.44	3.60	0.90	2.16	0.00	0.60	0.00	0.00	0.00

PDB ID : 2TRX.pdb chain name : A

Residue name	ALA	ARG	ASN	ASP	CYS	GLN	GLU	GLY	HIS	ILE	LEU	LYS	MET	PHE	PRO	SER	THR	TRP	TYR	VAL
Frequency	1.0	0.0	0.0	1.1	0.0	0.0	0.0	1.3	0.0	2.7	0.9	0.0	0.0	3.0	0.0	0.0	0.0	6.1	0.0	2.4

PDB ID : 2TRX.pdb chain name : A

Residue name	ALA	ARG	ASN	ASP	CYS	GLN	GLU	GLY	HIS	ILE	LEU	LYS	MET	PHE	PRO	SER	THR	TRP	TYR	VAL
Frequency	0.0	0.0	0.0	1.7	0.0	0.0	0.0	0.0	0.0	2.0	1.4	0.0	0.0	4.5	0.0	0.0	0.0	9.1	0.0	3.6

PDB ID :  2TRX.pdb                  Chain name : A

Residue name	ALA	ARG	ASN	ASP	CYS	GLN	GLU	GLY	HIS	ILE	LEU	LYS	MET	PHE	PRO	SER	THR	TRP	TYR	VAL
Residue	4	0	1	5	0	1	3	2	0	3	4	4	1	2	3	0	2	0	0	0
Residue total	12	1	4	11	0	3	5	9	1	9	13	10	1	4	5	3	6	2	2	5
Frequency	1.0	0.0	0.8	1.4	0	1.0	1.9	0.7	0.0	1.0	0.9	1.2	3.1	1.5	1.9	0.0	1.0	0.0	0.0	0.0

PDB ID :  2TRX.pdb                  Chain name : A

Residue name	ALA	ARG	ASN	ASP	CYS	GLN	GLU	GLY	HIS	ILE	LEU	LYS	MET	PHE	PRO	SER	THR	TRP	TYR	VAL
Residue	4	0	1	1	0	0	1	0	1	3	6	3	0	2	0	0	3	1	0	4
Residue total	12	1	4	11	0	3	5	9	1	9	13	10	1	4	5	3	6	2	2	5
Frequency	1.2	0.0	0.9	0.3	0	0.0	0.7	0.0	3.6	1.2	1.7	1.1	0.0	1.8	0.0	0.0	1.8	1.8	0.0	2.9

PDB ID :  2TRX.pdb                  Chain name : A

Residue name	ALA	ARG	ASN	ASP	CYS	GLN	GLU	GLY	HIS	ILE	LEU	LYS	MET	PHE	PRO	SER	THR	TRP	TYR	VAL
Residue	4	1	1	0	0	0	0	0	0	1	2	0	0	0	0	2	1	0	0	0
Residue total	12	1	4	11	0	3	5	9	1	9	13	10	1	4	5	3	6	2	2	5
Frequency	3.0	9.0	2.2	0.0	0	0.0	0.0	0.0	0.0	1.0	1.4	0.0	0.0	0.0	0.0	6.0	1.5	0.0	0.0	0.0

------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Center of Mass

PDB ID : 2TRX.pdb Chain : A

Molecular weight =13.305 kilodaltons
Center of mass:
x = 32.954
y = 31.669
z = -0.745
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Radius of gyration

PDB ID : 2TRX.pdb Chain : A

Radius of gyration:
x = 6.138
y = 8.374
z = 7.523
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Disulphide bridge

PDB ID : 2TRX.pdb     Chain : A

Residue name	Residue number	Chain name	Residue name	Residue number	Chain name	Distance
32	CYS	A	35	CYS	A	2.090

-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
Ionic interactions

PDB ID : 2TRX.pdb Chain : A

Residue name	Residue number	Atom name	Chain name	Residue name	Residue number	Atom name	Chain name	Distance
ASP	2	OD1	A	LYS	3	NZ	A	4.046
ASP	2	OD2	A	LYS	3	NZ	A	3.160
ASP	9	OD2	A	LYS	69	NZ	A	5.789
ASP	13	OD1	A	LYS	18	NZ	A	3.523
ASP	13	OD2	A	LYS	18	NZ	A	2.760
ASP	26	OD1	A	LYS	57	NZ	A	4.785
ASP	43	OD1	A	LYS	57	NZ	A	5.932
ASP	43	OD2	A	LYS	57	NZ	A	5.402
GLU	44	OE1	A	LYS	96	NZ	A	3.175
GLU	44	OE2	A	LYS	96	NZ	A	4.627
ASP	47	OD1	A	LYS	3	NZ	A	2.697
ASP	47	OD2	A	LYS	3	NZ	A	4.043
ASP	47	OD2	A	LYS	3	NZ	A	5.227
GLU	48	OE1	A	LYS	96	NZ	A	2.539
GLU	48	OE1	A	LYS	100	NZ	A	4.710
GLU	48	OE1	A	LYS	52	NZ	A	5.898
GLU	48	OE1	A	LYS	100	NZ	A	2.578
GLU	48	OE2	A	LYS	96	NZ	A	3.987
GLU	48	OE2	A	LYS	100	NZ	A	3.287
GLU	48	OE2	A	LYS	96	NZ	A	4.379
GLU	48	OE2	A	LYS	100	NZ	A	3.005

----------------------------------------------------------------------------------------------------------------------------------------------------------------------
Hydrophobic interactions

PDB ID : 2TRX.pdb    Chain : A

Residue name	Residue number	Atom name	Chain name	Residue name	Residue number	Atom name	Chain name	Distance
ILE	5	CB	A	ALA	56	CB	A	3.818
LEU	7	CB	A	LEU	58	CB	A	4.252
ALA	19	CB	A	ILE	23	CB	A	4.566
ILE	23	CB	A	PHE	81	CB	A	4.931
LEU	24	CB	A	VAL	55	CB	A	4.946
VAL	25	CB	A	ALA	56	CB	A	4.944
VAL	25	CB	A	LEU	79	CB	A	4.578
PRO	34	CB	A	ALA	93	CB	A	4.117
ILE	38	CB	A	ILE	41	CB	A	4.829
ALA	46	CB	A	VAL	55	CB	A	4.339
TYR	49	CB	A	LEU	53	CB	A	3.807
ALA	67	CB	A	ILE	72	CB	A	3.986
ILE	75	CB	A	PRO	76	CB	A	4.822
LEU	80	CB	A	ALA	87	CB	A	4.904
LEU	80	CB	A	ALA	88	CB	A	4.527
ALA	87	CB	A	ALA	88	CB	A	4.720

PDB ID : 2TRX.pdb     Chain : A

Residue name	Residue number	Residue name	Residue number	Distance
PHE	12	PHE	27	6.551
PHE	12	TYR	70	5.855
PHE	12	PHE	81	5.706
TYR	70	PHE	81	5.470

---------------------------------------------------------------------------------------------------------------------------------------------------------------------
Aromatic-sulphur interactions

PDB ID : 2TRX.pdb    Chain : A
Not found
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Cation-Pi interactions
PDB ID : 2TRX.pdb     Chain : A

Residue name	Residue name	Distance
PHE 12 CZ	LYS 69 NZ	7.703
TRP 28 CH2	LYS 36 NZ	8.293
TRP 28 CH2	LYS 57 NZ	5.905
TYR 49 CZ	LYS 52 NZ	5.803
TYR 49 CZ	LYS 100 NZ	5.682
TYR 70 CZ	LYS 69 NZ	6.857
PHE 102 CZ	LYS 90 NZ	8.043

PDB ID : 2TRX.pdb     Chain : A

Residue name	Residue number	Chain	ASA
SER	1	A	91
ASP	2	A	131
LYS	3	A	62
ILE	4	A	23
ILE	5	A	62
HIS	6	A	127
LEU	7	A	0
THR	8	A	44
ASP	9	A	39
ASP	10	A	154
SER	11	A	28
PHE	12	A	6
ASP	13	A	55
THR	14	A	18
ASP	15	A	33
VAL	16	A	2
LEU	17	A	43
LYS	18	A	61
ALA	19	A	28
ASP	20	A	65
GLY	21	A	43
ALA	22	A	8
ILE	23	A	5
LEU	24	A	1
VAL	25	A	0
ASP	26	A	2
PHE	27	A	0
TRP	28	A	46
ALA	29	A	0
GLU	30	A	118
TRP	31	A	164
CYS	32	A	7
GLY	33	A	43
PRO	34	A	63
CYS	35	A	3
LYS	36	A	115
MET	37	A	136
ILE	38	A	5
ALA	39	A	24
PRO	40	A	73
ILE	41	A	25
LEU	42	A	1
ASP	43	A	43
GLU	44	A	80
ILE	45	A	0
ALA	46	A	6
ASP	47	A	77
GLU	48	A	68
TYR	49	A	16
GLN	50	A	121
GLY	51	A	85
LYS	52	A	132
LEU	53	A	10
THR	54	A	61
VAL	55	A	2
ALA	56	A	0
LYS	57	A	29
LEU	58	A	0
ASN	59	A	7
ILE	60	A	38
ASP	61	A	88
GLN	62	A	121
ASN	63	A	18
PRO	64	A	90
GLY	65	A	32
THR	66	A	0
ALA	67	A	11
PRO	68	A	90
LYS	69	A	142
TYR	70	A	79
GLY	71	A	59
ILE	72	A	30
ARG	73	A	251
GLY	74	A	34
ILE	75	A	33
PRO	76	A	3
THR	77	A	7
LEU	78	A	2
LEU	79	A	4
LEU	80	A	0
PHE	81	A	2
LYS	82	A	71
ASN	83	A	149
GLY	84	A	33
GLU	85	A	143
VAL	86	A	51
ALA	87	A	48
ALA	88	A	17
THR	89	A	76
LYS	90	A	73
VAL	91	A	87
GLY	92	A	26
ALA	93	A	44
LEU	94	A	14
SER	95	A	58
LYS	96	A	59
GLY	97	A	44
GLN	98	A	106
LEU	99	A	1
LYS	100	A	72
GLU	101	A	145
PHE	102	A	36
LEU	103	A	0
ASP	104	A	84
ALA	105	A	80
ASN	106	A	43
LEU	107	A	42
ALA	108	A	155

PDB ID : 2TRX.pdb     Chain : A

Residue name	Residue number	Chain	Surrounding hydrophobicity
SER	1	A	6.18
ASP	2	A	5.52
LYS	3	A	12.73
ILE	4	A	16.39
ILE	5	A	16.3
HIS	6	A	14.96
HIS	6	A	14.96
LEU	7	A	16.16
THR	8	A	10.5
ASP	9	A	9.53
ASP	10	A	4.99
SER	11	A	7.89
PHE	12	A	11.93
ASP	13	A	10.67
THR	14	A	10.88
ASP	15	A	13.05
VAL	16	A	16.93
LEU	17	A	14.54
LYS	18	A	8.79
ALA	19	A	13.89
ASP	20	A	4.23
GLY	21	A	11.26
ALA	22	A	20.64
ILE	23	A	22.56
LEU	24	A	23.08
VAL	25	A	26.65
ASP	26	A	25.07
PHE	27	A	26.12
TRP	28	A	24.92
ALA	29	A	22.04
GLU	30	A	13.95
TRP	31	A	6.93
CYS	32	A	22.55
GLY	33	A	13.66
PRO	34	A	16.11
CYS	35	A	25.34
LYS	36	A	16.68
MET	37	A	15.36
ILE	38	A	22.82
ALA	39	A	17.6
PRO	40	A	16.75
ILE	41	A	18.3
LEU	42	A	19.33
ASP	43	A	19.83
GLU	44	A	14.77
ILE	45	A	17.95
ALA	46	A	20.42
ASP	47	A	10.99
GLU	48	A	8.69
TYR	49	A	12
GLN	50	A	12
GLY	51	A	6.65
LYS	52	A	7.62
LEU	53	A	15.68
THR	54	A	22.85
VAL	55	A	25.45
ALA	56	A	24.68
LYS	57	A	26.02
LEU	58	A	21.16
ASN	59	A	18.15
ILE	60	A	17.48
ASP	61	A	7.63
GLN	62	A	6.76
ASN	63	A	9.83
PRO	64	A	11.14
GLY	65	A	12.12
THR	66	A	14.79
ALA	67	A	21.01
PRO	68	A	14.99
LYS	69	A	11.37
TYR	70	A	11.27
GLY	71	A	12.05
ILE	72	A	15.37
ARG	73	A	10.99
GLY	74	A	12.06
ILE	75	A	22.61
PRO	76	A	24.21
THR	77	A	24.56
LEU	78	A	20.5
LEU	79	A	19.47
LEU	80	A	22.76
PHE	81	A	25.42
LYS	82	A	15.27
ASN	83	A	11.68
GLY	84	A	13.79
GLU	85	A	10.28
VAL	86	A	13.3
ALA	87	A	13.29
ALA	88	A	12.62
THR	89	A	13.77
LYS	90	A	8.96
VAL	91	A	12.81
GLY	92	A	15.51
ALA	93	A	16.96
LEU	94	A	10.17
SER	95	A	13.32
LYS	96	A	14.09
GLY	97	A	6.29
GLN	98	A	11.33
LEU	99	A	13.5
LYS	100	A	15.07
GLU	101	A	11.15
PHE	102	A	11.14
LEU	103	A	13.31
ASP	104	A	12.01
ALA	105	A	10.37
ASN	106	A	11.44
LEU	107	A	7.7
ALA	108	A	4.66

Surface hydrophobicityPDB ID : 2TRX.pdb     Chain : A

Surface hydrophobicity = 0.613
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Hydrophobic accessible areaPDB ID : 2TRX.pdb     Chain : A

Hydrophobic accessible area = 1401  (Angs^2)
------------------------------------------------------------------------------------------------------------------------------------------------------------------------Hydrophobic Free energy

PDB ID : 2TRX.pdb     Chain : A


Hydrophobic Free energy= -58.513 Kcal/mol
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Free energy due to disulphide intearctions
PDB ID : 2TRX.pdb     Chain : A

Free energy = 2.3 Kcal/mol
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Main chain Main chain Hydrogen bond interactions

PDB ID : 2TRX.pdb     Chain : A

>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>

Donor	Residue number	Chain	Acceptor	Residue number	Chain	Distance
ILE N	0004	A	SER O	0001	A	3.40
ILE N	0005	A	VAL O	0055	A	2.96
LYS N	0057	A	ILE O	0005	A	2.91
LYS N	0057	A	ILE O	0005	A	2.88
LEU N	0007	A	LYS O	0057	A	2.97
LEU N	0007	A	LYS O	0057	A	2.91
ASP N	0015	A	SER O	0011	A	2.88
VAL N	0016	A	PHE O	0012	A	2.81
LEU N	0017	A	PHE O	0012	A	3.34
LEU N	0017	A	ASP O	0013	A	3.01
LYS N	0018	A	ASP O	0013	A	3.08
ALA N	0019	A	VAL O	0016	A	3.11
THR N	0054	A	ALA O	0022	A	3.12
ILE N	0023	A	PHE O	0081	A	3.02
PHE N	0081	A	ILE O	0023	A	2.91
LEU N	0024	A	THR O	0054	A	2.82
ALA N	0056	A	LEU O	0024	A	2.80
VAL N	0025	A	LEU O	0079	A	2.76
LEU N	0079	A	VAL O	0025	A	2.91
ASP N	0026	A	ALA O	0056	A	2.82
LEU N	0058	A	ASP O	0026	A	2.87
PHE N	0027	A	THR O	0077	A	3.05
TRP N	0028	A	LEU O	0058	A	3.15
ILE N	0060	A	TRP O	0028	A	2.89
CYS N	0032	A	ALA O	0029	A	3.05
LYS N	0036	A	CYS O	0032	A	3.15
LYS N	0036	A	GLY O	0033	A	3.01
MET N	0037	A	GLY O	0033	A	2.99
ILE N	0038	A	PRO O	0034	A	3.28
ALA N	0039	A	LYS O	0036	A	3.25
ILE N	0041	A	ILE O	0038	A	3.00
LEU N	0042	A	ILE O	0038	A	3.03
ASP N	0043	A	ALA O	0039	A	3.17
GLU N	0044	A	PRO O	0040	A	3.03
ILE N	0045	A	ILE O	0041	A	2.95
ALA N	0046	A	LEU O	0042	A	2.85
ASP N	0047	A	ASP O	0043	A	3.16
GLU N	0048	A	GLU O	0044	A	2.92
TYR N	0049	A	ILE O	0045	A	2.83
GLN N	0050	A	ASP O	0047	A	3.29
LYS N	0052	A	TYR O	0049	A	2.80
LEU N	0053	A	TYR O	0049	A	3.00
ASN N	0063	A	ASN O	0059	A	2.99
LYS N	0069	A	THR O	0066	A	2.94
TYR N	0070	A	ALA O	0067	A	2.95
ILE N	0072	A	ALA O	0067	A	3.15
GLY N	0071	A	PRO O	0068	A	3.28
GLY N	0092	A	PRO O	0076	A	2.78
LEU N	0078	A	LYS O	0090	A	2.78
LYS N	0090	A	LEU O	0078	A	2.96
LEU N	0080	A	ALA O	0088	A	2.90
ALA N	0087	A	LEU O	0080	A	2.75
LYS N	0082	A	GLU O	0085	A	2.98
GLU N	0085	A	LYS O	0082	A	3.14
LEU N	0099	A	SER O	0095	A	2.87
LYS N	0100	A	LYS O	0096	A	2.95
GLU N	0101	A	GLY O	0097	A	3.08
PHE N	0102	A	GLN O	0098	A	2.95
LEU N	0103	A	LEU O	0099	A	2.78
ASP N	0104	A	LYS O	0100	A	2.80
ALA N	0105	A	GLU O	0101	A	3.05
ASN N	0106	A	LEU O	0103	A	2.85
LEU N	0107	A	LEU O	0103	A	2.85

PDB ID : 2TRX.pdb     Chain : A

>>>>>>>>>>>>>>>

Donor	Residue number	Chain	Acceptor	Residue number	Chain	Distance
THR N	0008	A	SER OG	0011	A	3.10
SER N	0011	A	THR OG1	0008	A	3.07
ASP N	0009	A	ASN OD1	0063	A	2.98
GLY N	0065	A	ASP OD1	0009	A	2.91
THR N	0066	A	ASP OD2	0009	A	2.95
LYS NZ	0036	A	GLU O	0030	A	3.00
LYS NZ	0052	A	GLU O	0048	A	3.03
ASP N	0061	A	ASN OD1	0059	A	2.86
GLN N	0062	A	ASN OD1	0059	A	3.04
THR OG1	0077	A	GLY O	0074	A	2.73
LYS NZ	0082	A	ASN O	0106	A	2.85
LYS NZ	0090	A	VAL O	0091	A	2.91
SER N	0095	A	GLN OE1	0098	A	2.89
GLN N	0098	A	SER OG	0095	A	3.22
ASN ND2	0106	A	PHE O	0102	A	2.77

PDB ID : 2TRX.pdb     Chain : A

>>>>>>>>>>>>>>

Donor	Residue number	Chain	Acceptor	Residue number	Chain	Distance
LYS NZ	0003	A	ASP OD2	0002	A	3.16
LYS NZ	0003	A	ASP OD1	0047	A	2.70
HIS ND1	0006	A	HIS NE2	0006	A	2.16
HIS NE2	0006	A	HIS ND1	0006	A	2.16
THR OG1	0066	A	ASP OD2	0009	A	2.58
SER OG	0011	A	ASP OD1	0015	A	3.13
LYS NZ	0018	A	ASP OD2	0013	A	2.76
TRP NE1	0031	A	ASP OD1	0061	A	2.97
LYS NZ	0096	A	GLU OE1	0044	A	3.18
LYS NZ	0096	A	GLU OE1	0048	A	2.54
LYS NZ	0100	A	GLU OE1	0048	A	2.58
LYS NZ	0100	A	GLU OE2	0048	A	3.29
LYS NZ	0100	A	GLU OE2	0048	A	3.01
TYR OH	0049	A	ASP OD1	0104	A	2.88

PDB ID : 2TRX.pdb     Chain : A

>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>

Residue name	Residue number	Chain	Average gain
SER	1	A	3.880
ASP	2	A	0.660
LYS	3	A	5.700
ILE	4	A	10.070
ILE	5	A	9.770
HIS	6	A	5.620
HIS	6	A	8.700
LEU	7	A	13.690
THR	8	A	6.140
ASP	9	A	6.560
ASP	10	A	1.320
SER	11	A	3.040
PHE	12	A	10.470
ASP	13	A	7.000
THR	14	A	4.820
ASP	15	A	8.280
VAL	16	A	12.390
LEU	17	A	9.500
LYS	18	A	3.220
ALA	19	A	9.320
ASP	20	A	0.750
GLY	21	A	5.710
ALA	22	A	14.560
ILE	23	A	17.550
LEU	24	A	16.530
VAL	25	A	17.800
ASP	26	A	14.390
PHE	27	A	18.950
TRP	28	A	19.850
ALA	29	A	10.960
GLU	30	A	4.020
TRP	31	A	3.770
CYS	32	A	15.240
GLY	33	A	4.080
PRO	34	A	11.330
CYS	35	A	19.160
LYS	36	A	7.570
MET	37	A	8.180
ILE	38	A	15.870
ALA	39	A	6.860
PRO	40	A	7.410
ILE	41	A	11.830
LEU	42	A	12.080
ASP	43	A	10.690
GLU	44	A	7.920
ILE	45	A	15.090
ALA	46	A	15.270
ASP	47	A	3.630
GLU	48	A	4.490
TYR	49	A	10.570
GLN	50	A	6.920
GLY	51	A	0.170
LYS	52	A	5.280
LEU	53	A	12.000
THR	54	A	16.300
VAL	55	A	20.700
ALA	56	A	18.930
LYS	57	A	21.020
LEU	58	A	15.410
ASN	59	A	10.530
ILE	60	A	14.560
ASP	61	A	4.300
GLN	62	A	0.090
ASN	63	A	6.300
PRO	64	A	10.880
GLY	65	A	8.320
THR	66	A	8.280
ALA	67	A	16.430
PRO	68	A	9.740
LYS	69	A	4.960
TYR	70	A	3.610
GLY	71	A	3.740
ILE	72	A	11.650
ARG	73	A	4.490
GLY	74	A	2.140
ILE	75	A	18.820
PRO	76	A	18.720
THR	77	A	14.300
LEU	78	A	13.320
LEU	79	A	12.190
LEU	80	A	13.910
PHE	81	A	19.350
LYS	82	A	10.040
ASN	83	A	6.400
GLY	84	A	9.520
GLU	85	A	7.350
VAL	86	A	10.790
ALA	87	A	9.810
ALA	88	A	8.170
THR	89	A	8.520
LYS	90	A	6.050
VAL	91	A	10.130
GLY	92	A	8.960
ALA	93	A	12.750
LEU	94	A	7.490
SER	95	A	8.540
LYS	96	A	11.750
GLY	97	A	2.410
GLN	98	A	5.780
LEU	99	A	11.090
LYS	100	A	9.360
GLU	101	A	2.300
PHE	102	A	6.000
LEU	103	A	8.240
ASP	104	A	6.010
ALA	105	A	5.280
ASN	106	A	6.870
LEU	107	A	5.870
ALA	108	A	2.400

PDB ID : 2TRX.pdb     Chain : A

Residue name	Residue number	Chain	Gain Ratio
SER	1	A	2.687
ASP	2	A	1.136
LYS	3	A	1.811
ILE	4	A	2.593
ILE	5	A	2.496
HIS	6	A	1.602
HIS	6	A	2.390
LEU	7	A	6.543
THR	8	A	2.408
ASP	9	A	3.209
ASP	10	A	1.360
SER	11	A	1.627
PHE	12	A	8.171
ASP	13	A	2.907
THR	14	A	1.795
ASP	15	A	2.736
VAL	16	A	3.729
LEU	17	A	2.885
LYS	18	A	1.578
ALA	19	A	3.039
ASP	20	A	1.216
GLY	21	A	2.029
ALA	22	A	3.395
ILE	23	A	4.503
LEU	24	A	3.524
VAL	25	A	3.011
ASP	26	A	2.347
PHE	27	A	3.643
TRP	28	A	4.915
ALA	29	A	1.989
GLU	30	A	1.405
TRP	31	A	2.193
CYS	32	A	3.085
GLY	33	A	1.426
PRO	34	A	3.370
CYS	35	A	4.100
LYS	36	A	1.831
MET	37	A	2.139
ILE	38	A	3.283
ALA	39	A	1.639
PRO	40	A	1.793
ILE	41	A	2.828
LEU	42	A	2.666
ASP	43	A	2.170
GLU	44	A	2.156
ILE	45	A	6.276
ALA	46	A	3.965
ASP	47	A	1.493
GLU	48	A	2.069
TYR	49	A	8.392
GLN	50	A	2.362
GLY	51	A	1.026
LYS	52	A	3.256
LEU	53	A	4.261
THR	54	A	3.489
VAL	55	A	5.358
ALA	56	A	4.292
LYS	57	A	5.204
LEU	58	A	3.680
ASN	59	A	2.382
ILE	60	A	5.986
ASP	61	A	2.291
GLN	62	A	1.013
ASN	63	A	2.785
PRO	64	A	42.846
GLY	65	A	3.189
THR	66	A	2.272
ALA	67	A	4.587
PRO	68	A	2.855
LYS	69	A	1.774
TYR	70	A	1.471
GLY	71	A	1.450
ILE	72	A	4.132
ARG	73	A	1.691
GLY	74	A	1.216
ILE	75	A	5.966
PRO	76	A	4.410
THR	77	A	2.394
LEU	78	A	2.855
LEU	79	A	2.674
LEU	80	A	2.572
PHE	81	A	4.188
LYS	82	A	2.920
ASN	83	A	2.212
GLY	84	A	3.230
GLU	85	A	3.509
VAL	86	A	5.299
ALA	87	A	3.819
ALA	88	A	2.836
THR	89	A	2.623
LYS	90	A	3.079
VAL	91	A	4.780
GLY	92	A	2.368
ALA	93	A	4.029
LEU	94	A	3.795
SER	95	A	2.787
LYS	96	A	6.021
GLY	97	A	1.621
GLN	98	A	2.041
LEU	99	A	5.602
LYS	100	A	2.639
GLU	101	A	1.260
PHE	102	A	2.167
LEU	103	A	2.625
ASP	104	A	2.002
ALA	105	A	2.037
ASN	106	A	2.503
LEU	107	A	4.208
ALA	108	A	2.062

Buriedness
PDB ID : 2TRX.pdb     Chain : A

Residue name	ALA	GLY	ILE	LEU	LYS	ASN	MET	PHE	THR	TRP	VAL	ARG	HIS	ASP	CYS	GLU	PRO	SER	TYR	GLN
Buriedness	0.25	0.00	0.33	0.69	0.00	0.25	0.00	0.75	0.17	0.00	0.60	0.00	0.00	0.09	0.00	0.00	0.20	0.00	0.00	0.00

Mean fractional area loss
PDB ID : 2TRX.pdb     Chain : A

Residue name	Residue number	Chain	Fractional area loss
SER	1	A	0.2
ASP	2	A	0.1
LYS	3	A	0.7
ILE	4	A	0.9
ILE	5	A	0.7
HIS	6	A	0.3
LEU	7	A	1.0
THR	8	A	0.7
ASP	9	A	0.7
ASP	10	A	-0.1
SER	11	A	0.8
PHE	12	A	1.0
ASP	13	A	0.6
THR	14	A	0.9
ASP	15	A	0.8
VAL	16	A	1.0
LEU	17	A	0.8
LYS	18	A	0.7
ALA	19	A	0.7
ASP	20	A	0.5
GLY	21	A	0.5
ALA	22	A	0.9
ILE	23	A	1.0
LEU	24	A	1.0
VAL	25	A	1.0
ASP	26	A	1.0
PHE	27	A	1.0
TRP	28	A	0.8
ALA	29	A	1.0
GLU	30	A	0.3
TRP	31	A	0.3
ALA	32	A	0.9
GLY	33	A	0.5
PRO	34	A	0.6
ALA	35	A	1.0
LYS	36	A	0.4
MET	37	A	0.3
ILE	38	A	1.0
ALA	39	A	0.8
PRO	40	A	0.5
ILE	41	A	0.9
LEU	42	A	1.0
ASP	43	A	0.7
GLU	44	A	0.5
ILE	45	A	1.0
ALA	46	A	0.9
ASP	47	A	0.5
GLU	48	A	0.6
TYR	49	A	0.9
GLN	50	A	0.3
GLY	51	A	-0.1
LYS	52	A	0.4
LEU	53	A	0.9
THR	54	A	0.6
VAL	55	A	1.0
ALA	56	A	1.0
LYS	57	A	0.9
LEU	58	A	1.0
ASN	59	A	1.0
ILE	60	A	0.8
ASP	61	A	0.4
GLN	62	A	0.3
ASN	63	A	0.9
PRO	64	A	0.4
GLY	65	A	0.6
THR	66	A	1.0
ALA	67	A	0.9
PRO	68	A	0.4
LYS	69	A	0.3
TYR	70	A	0.6
GLY	71	A	0.3
ILE	72	A	0.8
ARG	73	A	-0.1
GLY	74	A	0.6
ILE	75	A	0.8
PRO	76	A	1.0
THR	77	A	0.9
LEU	78	A	1.0
LEU	79	A	1.0
LEU	80	A	1.0
PHE	81	A	1.0
LYS	82	A	0.7
ASN	83	A	-0.0
GLY	84	A	0.6
GLU	85	A	0.2
VAL	86	A	0.7
ALA	87	A	0.6
ALA	88	A	0.8
THR	89	A	0.5
LYS	90	A	0.6
VAL	91	A	0.4
GLY	92	A	0.7
ALA	93	A	0.6
LEU	94	A	0.9
SER	95	A	0.5
LYS	96	A	0.7
GLY	97	A	0.4
GLN	98	A	0.4
LEU	99	A	1.0
LYS	100	A	0.6
GLU	101	A	0.2
PHE	102	A	0.8
LEU	103	A	1.0
ASP	104	A	0.4
ALA	105	A	0.3
ASN	106	A	0.7
LEU	107	A	0.8
ALA	108	A	-0.4

Mean area buried on transfer
PDB ID : 2TRX.pdb     Chain : A

Residue name	Residue number	Chain	Area buried on transfer
SER	1	A	26.2
ASP	2	A	13.1
LYS	3	A	143.7
ILE	4	A	162.0
ILE	5	A	123.0
HIS	6	A	54.9
LEU	7	A	183.1
THR	8	A	94.7
ASP	9	A	105.1
ASP	10	A	-9.9
SER	11	A	89.2
PHE	12	A	194.7
ASP	13	A	89.1
THR	14	A	120.7
ASP	15	A	111.1
VAL	16	A	151.7
LEU	17	A	140.1
LYS	18	A	144.7
ALA	19	A	82.2
ASP	20	A	79.1
GLY	21	A	35.7
ALA	22	A	102.2
ILE	23	A	180.0
LEU	24	A	182.1
VAL	25	A	153.7
ASP	26	A	142.1
PHE	27	A	200.7
TRP	28	A	194.5
ALA	29	A	110.2
GLU	30	A	56.7
TRP	31	A	76.5
ALA	32	A	103.2
GLY	33	A	35.7
PRO	34	A	78.9
ALA	35	A	107.2
LYS	36	A	90.7
MET	37	A	64.1
ILE	38	A	180.0
ALA	39	A	86.2
PRO	40	A	68.9
ILE	41	A	160.0
LEU	42	A	182.1
ASP	43	A	101.1
GLU	44	A	94.7
ILE	45	A	185.0
ALA	46	A	104.2
ASP	47	A	67.1
GLU	48	A	106.7
TYR	49	A	197.7
GLN	50	A	57.6
GLY	51	A	-6.3
LYS	52	A	73.7
LEU	53	A	173.1
THR	54	A	77.7
VAL	55	A	151.7
ALA	56	A	110.2
LYS	57	A	176.7
LEU	58	A	183.1
ASN	59	A	139.4
ILE	60	A	147.0
ASP	61	A	56.1
GLN	62	A	57.6
ASN	63	A	128.4
PRO	64	A	51.9
GLY	65	A	46.7
THR	66	A	138.7
ALA	67	A	99.2
PRO	68	A	51.9
LYS	69	A	63.7
TYR	70	A	134.7
GLY	71	A	19.7
ILE	72	A	155.0
ARG	73	A	-22.0
GLY	74	A	44.7
ILE	75	A	152.0
PRO	76	A	138.9
THR	77	A	131.7
LEU	78	A	181.1
LEU	79	A	179.1
LEU	80	A	183.1
PHE	81	A	198.7
LYS	82	A	134.7
ASN	83	A	-2.6
GLY	84	A	45.7
GLU	85	A	31.7
VAL	86	A	102.7
ALA	87	A	62.2
ALA	88	A	93.2
THR	89	A	62.7
LYS	90	A	132.7
VAL	91	A	66.7
GLY	92	A	52.7
ALA	93	A	66.2
LEU	94	A	169.1
SER	95	A	59.2
LYS	96	A	146.7
GLY	97	A	34.7
GLN	98	A	72.6
LEU	99	A	182.1
LYS	100	A	133.7
GLU	101	A	29.7
PHE	102	A	164.7
LEU	103	A	183.1
ASP	104	A	60.1
ALA	105	A	30.2
ASN	106	A	103.4
LEU	107	A	141.1
ALA	108	A	-44.8

Average number of surrounding residues
PDB ID : 2TRX.pdb     Chain : A

Residue name	Residue number	Chain	Number of surrounding residues
SER	1	A	4
ASP	2	A	2
LYS	3	A	6
ILE	4	A	9
ILE	5	A	7
HIS	6	A	6
HIS	6	A	5
LEU	7	A	9
THR	8	A	6
ASP	9	A	7
ASP	10	A	3
SER	11	A	4
PHE	12	A	5
ASP	13	A	5
THR	14	A	5
ASP	15	A	4
VAL	16	A	6
LEU	17	A	6
LYS	18	A	4
ALA	19	A	7
ASP	20	A	3
GLY	21	A	7
ALA	22	A	10
ILE	23	A	9
LEU	24	A	10
VAL	25	A	10
ASP	26	A	10
PHE	27	A	11
TRP	28	A	11
ALA	29	A	8
GLU	30	A	6
TRP	31	A	2
CYS	32	A	6
GLY	33	A	4
PRO	34	A	7
CYS	35	A	7
LYS	36	A	4
MET	37	A	4
ILE	38	A	7
ALA	39	A	4
PRO	40	A	4
ILE	41	A	6
LEU	42	A	5
ASP	43	A	4
GLU	44	A	4
ILE	45	A	7
ALA	46	A	7
ASP	47	A	3
GLU	48	A	2
TYR	49	A	5
GLN	50	A	4
GLY	51	A	3
LYS	52	A	2
LEU	53	A	2
THR	54	A	2
VAL	55	A	2
ALA	56	A	2
LYS	57	A	2
LEU	58	A	3
ASN	59	A	4
ILE	60	A	7
ASP	61	A	3
GLN	62	A	2
ASN	63	A	3
PRO	64	A	4
GLY	65	A	4
THR	66	A	4
ALA	67	A	6
PRO	68	A	5
LYS	69	A	3
TYR	70	A	2
GLY	71	A	2
ILE	72	A	4
ARG	73	A	2
GLY	74	A	5
ILE	75	A	4
PRO	76	A	5
THR	77	A	6
LEU	78	A	5
LEU	79	A	7
LEU	80	A	6
PHE	81	A	7
LYS	82	A	5
ASN	83	A	2
GLY	84	A	2
GLU	85	A	2
VAL	86	A	3
ALA	87	A	3
ALA	88	A	3
THR	89	A	2
LYS	90	A	2
VAL	91	A	2
GLY	92	A	2
ALA	93	A	2
LEU	94	A	4
SER	95	A	4
LYS	96	A	4
GLY	97	A	4
GLN	98	A	4
LEU	99	A	4
LYS	100	A	4
GLU	101	A	4
PHE	102	A	4
LEU	103	A	4
ASP	104	A	4
ALA	105	A	3
ASN	106	A	2
LEU	107	A	1
ALA	108	A	0

Normalized B-values
PDB ID : 2TRX.pdb     Chain : A

Residue name	Residue number	Atom name	Chain	B-value
SER	1	O	A	0.582
ASP	2	N	A	0.498
ASP	2	CA	A	0.502
ASP	2	C	A	0.487
ASP	2	O	A	0.501
LYS	3	N	A	0.447
LYS	3	CA	A	0.440
LYS	3	C	A	0.429
LYS	3	O	A	0.474
ILE	4	N	A	0.397
ILE	4	CA	A	0.403
ILE	4	C	A	0.412
ILE	4	O	A	0.461
ILE	5	N	A	0.359
ILE	5	CA	A	0.370
ILE	5	C	A	0.350
ILE	5	C	A	0.375
ILE	5	O	A	0.325
ILE	5	O	A	0.342
HIS	6	N	A	0.331
HIS	6	N	A	0.388
HIS	6	CA	A	0.337
HIS	6	CA	A	0.416
HIS	6	C	A	0.333
HIS	6	C	A	0.391
HIS	6	O	A	0.357
HIS	6	O	A	0.416
LEU	7	N	A	0.290
LEU	7	N	A	0.323
LEU	7	CA	A	0.289
LEU	7	C	A	0.308
LEU	7	O	A	0.349
THR	8	N	A	0.314
THR	8	CA	A	0.328
THR	8	C	A	0.315
THR	8	O	A	0.298
ASP	9	N	A	0.330
ASP	9	CA	A	0.354
ASP	9	C	A	0.348
ASP	9	O	A	0.342
ASP	10	N	A	0.344
ASP	10	CA	A	0.359
ASP	10	C	A	0.353
ASP	10	O	A	0.402
SER	11	N	A	0.333
SER	11	CA	A	0.332
SER	11	C	A	0.315
SER	11	O	A	0.320
PHE	12	N	A	0.314
PHE	12	CA	A	0.305
PHE	12	C	A	0.297
PHE	12	O	A	0.292
ASP	13	N	A	0.291
ASP	13	CA	A	0.363
ASP	13	C	A	0.362
ASP	13	O	A	0.365
THR	14	N	A	0.349
THR	14	CA	A	0.361
THR	14	C	A	0.364
THR	14	O	A	0.363
ASP	15	N	A	0.311
ASP	15	CA	A	0.315
ASP	15	C	A	0.313
ASP	15	O	A	0.355
VAL	16	N	A	0.272
VAL	16	CA	A	0.260
VAL	16	C	A	0.260
VAL	16	O	A	0.263
LEU	17	N	A	0.249
LEU	17	CA	A	0.300
LEU	17	C	A	0.319
LEU	17	O	A	0.321
LYS	18	N	A	0.314
LYS	18	CA	A	0.346
LYS	18	C	A	0.372
LYS	18	O	A	0.391
ALA	19	N	A	0.351
ALA	19	CA	A	0.350
ALA	19	C	A	0.345
ALA	19	O	A	0.327
ASP	20	N	A	0.358
ASP	20	CA	A	0.403
ASP	20	C	A	0.443
ASP	20	O	A	0.546
GLY	21	N	A	0.444
GLY	21	CA	A	0.422
GLY	21	C	A	0.399
GLY	21	O	A	0.420
ALA	22	N	A	0.355
ALA	22	CA	A	0.330
ALA	22	C	A	0.301
ALA	22	O	A	0.321
ILE	23	N	A	0.281
ILE	23	CA	A	0.244
ILE	23	C	A	0.233
ILE	23	O	A	0.237
LEU	24	N	A	0.197
LEU	24	CA	A	0.183
LEU	24	C	A	0.211
LEU	24	O	A	0.268
VAL	25	N	A	0.180
VAL	25	CA	A	0.180
VAL	25	C	A	0.221
VAL	25	O	A	0.234
ASP	26	N	A	0.204
ASP	26	CA	A	0.211
ASP	26	C	A	0.240
ASP	26	O	A	0.279
PHE	27	N	A	0.230
PHE	27	CA	A	0.256
PHE	27	C	A	0.286
PHE	27	O	A	0.302
TRP	28	N	A	0.280
TRP	28	CA	A	0.333
TRP	28	C	A	0.344
TRP	28	O	A	0.334
ALA	29	N	A	0.388
ALA	29	CA	A	0.438
ALA	29	C	A	0.477
ALA	29	O	A	0.460
GLU	30	N	A	0.555
GLU	30	CA	A	0.639
GLU	30	C	A	0.603
GLU	30	O	A	0.606
TRP	31	N	A	0.586
TRP	31	CA	A	0.580
TRP	31	C	A	0.582
TRP	31	O	A	0.600
CYS	32	N	A	0.518
CYS	32	CA	A	0.471
CYS	32	C	A	0.446
CYS	32	O	A	0.426
GLY	33	N	A	0.420
GLY	33	CA	A	0.443
GLY	33	C	A	0.437
GLY	33	O	A	0.478
PRO	34	N	A	0.422
PRO	34	CA	A	0.411
PRO	34	C	A	0.405
PRO	34	O	A	0.386
CYS	35	N	A	0.397
CYS	35	CA	A	0.396
CYS	35	C	A	0.436
CYS	35	O	A	0.416
LYS	36	N	A	0.466
LYS	36	CA	A	0.524
LYS	36	C	A	0.514
LYS	36	O	A	0.510
MET	37	N	A	0.522
MET	37	CA	A	0.547
MET	37	C	A	0.507
MET	37	O	A	0.504
ILE	38	N	A	0.445
ILE	38	CA	A	0.397
ILE	38	C	A	0.355
ILE	38	O	A	0.344
ALA	39	N	A	0.360
ALA	39	CA	A	0.351
ALA	39	C	A	0.377
ALA	39	O	A	0.344
PRO	40	N	A	0.359
PRO	40	CA	A	0.353
PRO	40	C	A	0.343
PRO	40	O	A	0.365
ILE	41	N	A	0.317
ILE	41	CA	A	0.335
ILE	41	C	A	0.300
ILE	41	O	A	0.328
LEU	42	N	A	0.290
LEU	42	CA	A	0.306
LEU	42	C	A	0.332
LEU	42	O	A	0.316
ASP	43	N	A	0.309
ASP	43	CA	A	0.331
ASP	43	C	A	0.337
ASP	43	O	A	0.341
GLU	44	N	A	0.330
GLU	44	CA	A	0.352
GLU	44	C	A	0.367
GLU	44	O	A	0.375
ILE	45	N	A	0.341
ILE	45	CA	A	0.358
ILE	45	C	A	0.328
ILE	45	O	A	0.332
ALA	46	N	A	0.317
ALA	46	CA	A	0.330
ALA	46	C	A	0.379
ALA	46	O	A	0.390
ASP	47	N	A	0.377
ASP	47	CA	A	0.426
ASP	47	C	A	0.430
ASP	47	O	A	0.466
GLU	48	N	A	0.424
GLU	48	CA	A	0.467
GLU	48	C	A	0.474
GLU	48	O	A	0.465
TYR	49	N	A	0.428
TYR	49	CA	A	0.444
TYR	49	C	A	0.462
TYR	49	O	A	0.470
GLN	50	N	A	0.489
GLN	50	CA	A	0.556
GLN	50	C	A	0.579
GLN	50	O	A	0.591
GLY	51	N	A	0.583
GLY	51	CA	A	0.610
GLY	51	C	A	0.639
GLY	51	O	A	0.687
LYS	52	N	A	0.610
LYS	52	CA	A	0.585
LYS	52	C	A	0.528
LYS	52	O	A	0.536
LEU	53	N	A	0.435
LEU	53	CA	A	0.395
LEU	53	C	A	0.362
LEU	53	O	A	0.385
THR	54	N	A	0.304
THR	54	CA	A	0.302
THR	54	C	A	0.309
THR	54	O	A	0.303
VAL	55	N	A	0.273
VAL	55	CA	A	0.269
VAL	55	C	A	0.261
VAL	55	O	A	0.286
ALA	56	N	A	0.200
ALA	56	CA	A	0.202
ALA	56	C	A	0.244
ALA	56	O	A	0.245
LYS	57	N	A	0.259
LYS	57	CA	A	0.286
LYS	57	C	A	0.285
LYS	57	O	A	0.312
LEU	58	N	A	0.228
LEU	58	CA	A	0.253
LEU	58	C	A	0.304
LEU	58	O	A	0.272
ASN	59	N	A	0.302
ASN	59	CA	A	0.341
ASN	59	C	A	0.366
ASN	59	O	A	0.384
ILE	60	N	A	0.361
ILE	60	CA	A	0.404
ILE	60	C	A	0.389
ILE	60	O	A	0.440
ASP	61	N	A	0.416
ASP	61	CA	A	0.464
ASP	61	C	A	0.475
ASP	61	O	A	0.498
GLN	62	N	A	0.481
GLN	62	CA	A	0.487
GLN	62	C	A	0.484
GLN	62	O	A	0.505
ASN	63	N	A	0.442
ASN	63	CA	A	0.416
ASN	63	C	A	0.459
ASN	63	O	A	0.450
PRO	64	N	A	0.503
PRO	64	CA	A	0.539
PRO	64	C	A	0.540
PRO	64	O	A	0.587
GLY	65	N	A	0.519
GLY	65	CA	A	0.497
GLY	65	C	A	0.504
GLY	65	O	A	0.540
THR	66	N	A	0.441
THR	66	CA	A	0.449
THR	66	C	A	0.429
THR	66	O	A	0.401
ALA	67	N	A	0.429
ALA	67	CA	A	0.466
ALA	67	C	A	0.494
ALA	67	O	A	0.457
PRO	68	N	A	0.539
PRO	68	CA	A	0.575
PRO	68	C	A	0.587
PRO	68	O	A	0.605
LYS	69	N	A	0.589
LYS	69	CA	A	0.608
LYS	69	C	A	0.597
LYS	69	O	A	0.606
TYR	70	N	A	0.538
TYR	70	CA	A	0.553
TYR	70	C	A	0.544
TYR	70	O	A	0.584
GLY	71	N	A	0.541
GLY	71	CA	A	0.559
GLY	71	C	A	0.557
GLY	71	O	A	0.584
ILE	72	N	A	0.518
ILE	72	CA	A	0.536
ILE	72	C	A	0.578
ILE	72	O	A	0.601
ARG	73	N	A	0.599
ARG	73	CA	A	0.669
ARG	73	C	A	0.621
ARG	73	O	A	0.659
GLY	74	N	A	0.528
GLY	74	CA	A	0.473
GLY	74	C	A	0.446
GLY	74	O	A	0.473
ILE	75	N	A	0.416
ILE	75	CA	A	0.366
ILE	75	C	A	0.378
ILE	75	O	A	0.394
PRO	76	N	A	0.343
PRO	76	CA	A	0.342
PRO	76	C	A	0.303
PRO	76	O	A	0.323
THR	77	N	A	0.256
THR	77	CA	A	0.247
THR	77	C	A	0.256
THR	77	O	A	0.225
LEU	78	N	A	0.209
LEU	78	CA	A	0.208
LEU	78	C	A	0.231
LEU	78	O	A	0.240
LEU	79	N	A	0.236
LEU	79	CA	A	0.218
LEU	79	C	A	0.221
LEU	79	O	A	0.253
LEU	80	N	A	0.214
LEU	80	CA	A	0.231
LEU	80	C	A	0.248
LEU	80	O	A	0.264
PHE	81	N	A	0.241
PHE	81	CA	A	0.261
PHE	81	C	A	0.288
PHE	81	O	A	0.300
LYS	82	N	A	0.327
LYS	82	CA	A	0.399
LYS	82	C	A	0.377
LYS	82	O	A	0.331
ASN	83	N	A	0.395
ASN	83	CA	A	0.384
ASN	83	C	A	0.359
ASN	83	O	A	0.367
GLY	84	N	A	0.320
GLY	84	CA	A	0.343
GLY	84	C	A	0.389
GLY	84	O	A	0.448
GLU	85	N	A	0.389
GLU	85	CA	A	0.457
GLU	85	C	A	0.373
GLU	85	O	A	0.367
VAL	86	N	A	0.342
VAL	86	CA	A	0.314
VAL	86	C	A	0.313
VAL	86	O	A	0.371
ALA	87	N	A	0.266
ALA	87	CA	A	0.259
ALA	87	C	A	0.249
ALA	87	O	A	0.241
ALA	88	N	A	0.237
ALA	88	CA	A	0.233
ALA	88	C	A	0.233
ALA	88	O	A	0.213
THR	89	N	A	0.217
THR	89	CA	A	0.217
THR	89	C	A	0.248
THR	89	O	A	0.193
LYS	90	N	A	0.229
LYS	90	CA	A	0.289
LYS	90	C	A	0.283
LYS	90	O	A	0.300
VAL	91	N	A	0.279
VAL	91	CA	A	0.304
VAL	91	C	A	0.343
VAL	91	O	A	0.357
GLY	92	N	A	0.352
GLY	92	CA	A	0.349
GLY	92	C	A	0.392
GLY	92	O	A	0.425
ALA	93	N	A	0.389
ALA	93	CA	A	0.407
ALA	93	C	A	0.399
ALA	93	O	A	0.385
LEU	94	N	A	0.401
LEU	94	CA	A	0.426
LEU	94	C	A	0.426
LEU	94	O	A	0.468
SER	95	N	A	0.414
SER	95	CA	A	0.443
SER	95	C	A	0.454
SER	95	O	A	0.416
LYS	96	N	A	0.428
LYS	96	CA	A	0.431
LYS	96	C	A	0.420
LYS	96	O	A	0.393
GLY	97	N	A	0.406
GLY	97	CA	A	0.406
GLY	97	C	A	0.397
GLY	97	O	A	0.449
GLN	98	N	A	0.371
GLN	98	CA	A	0.392
GLN	98	C	A	0.355
GLN	98	O	A	0.342
LEU	99	N	A	0.338
LEU	99	CA	A	0.320
LEU	99	C	A	0.331
LEU	99	O	A	0.335
LYS	100	N	A	0.345
LYS	100	CA	A	0.402
LYS	100	C	A	0.377
LYS	100	O	A	0.359
GLU	101	N	A	0.400
GLU	101	CA	A	0.423
GLU	101	C	A	0.384
GLU	101	O	A	0.391
PHE	102	N	A	0.344
PHE	102	CA	A	0.305
PHE	102	C	A	0.312
PHE	102	O	A	0.336
LEU	103	N	A	0.312
LEU	103	CA	A	0.330
LEU	103	C	A	0.360
LEU	103	O	A	0.377
ASP	104	N	A	0.419
ASP	104	CA	A	0.454
ASP	104	C	A	0.468
ASP	104	O	A	0.483
ALA	105	N	A	0.448
ALA	105	CA	A	0.444
ALA	105	C	A	0.495
ALA	105	O	A	0.486
ASN	106	N	A	0.472
ASN	106	CA	A	0.526
ASN	106	C	A	0.600
ASN	106	O	A	0.632
LEU	107	N	A	0.683
LEU	107	CA	A	0.804
LEU	107	C	A	0.912
LEU	107	O	A	0.958
ALA	108	N	A	1.000

Normalized flexibility parameters (B-values) for each residue surrounded by none rigid neighbours
PDB ID : 2TRX.pdb     Chain : A

Residue name	Residue number	Atom name	Chain	B-value
SER	1	O	A	1.430
GLY	21	C	A	0.981
THR	66	O	A	0.986
GLU	85	N	A	0.957
ALA	93	N	A	0.957
ALA	108	N	A	2.459

Normalized flexibility parameters (B-values) for each residue surrounded by one rigid neighbours
PDB ID : 2TRX.pdb     Chain : A

Residue name	Residue number	Atom name	Chain	B-value
SER	1	O	A	0.490
ALA	108	N	A	1.000

Normalized flexibility parameters (B-values) for each residue surrounded by two rigid neighbours
PDB ID : 2TRX.pdb     Chain : A

Residue name	Residue number	Atom name	Chain	B-value
ALA	29	O	A	0.6
GLU	30	N	A	1.4
CYS	32	N	A	1.1
CYS	32	CA	A	0.7
LYS	36	N	A	0.7
LYS	36	CA	A	1.2
GLN	50	N	A	0.9
GLN	50	CA	A	1.4
LYS	52	O	A	1.3
LEU	53	N	A	0.4
PRO	64	N	A	1.0
GLY	65	C	A	1.0
ALA	67	O	A	0.6
PRO	68	N	A	1.3
GLY	74	N	A	1.2
GLY	74	CA	A	0.7
ASN	106	N	A	0.7
ASN	106	CA	A	1.2
ALA	108	N	A	5.2

Residue name	Residue number	Atom name	Chain name	Residue name	Residue number	Atom name	Chain name	Distance
ASP	20	CB	A	ALA	93	O	B	3.418
ASP	20	CG	A	GLN	98	OE1	B	3.307
ASP	20	OD1	A	LEU	94	CA	B	3.431
ASP	20	OD1	A	GLN	98	OE1	B	2.565
ASP	20	OD2	A	GLN	98	OE1	B	3.300
ASP	20	OD2	A	GLN	98	NE2	B	3.202

Jmol
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

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Residue name	Residue number	Chain	ASA
SER	1	A	91
ASP	2	A	131
LYS	3	A	62
ILE	4	A	23
ILE	5	A	62
HIS	6	A	127
LEU	7	A	0
THR	8	A	44
ASP	9	A	39
ASP	10	A	154
SER	11	A	28
PHE	12	A	6
ASP	13	A	55
THR	14	A	18
ASP	15	A	33
VAL	16	A	2
LEU	17	A	43
LYS	18	A	61
ALA	19	A	28
ASP	20	A	65
GLY	21	A	43
ALA	22	A	8
ILE	23	A	5
LEU	24	A	1
VAL	25	A	0
ASP	26	A	2
PHE	27	A	0
TRP	28	A	46
ALA	29	A	0
GLU	30	A	118
TRP	31	A	164
CYS	32	A	7
GLY	33	A	43
PRO	34	A	63
CYS	35	A	3
LYS	36	A	115
MET	37	A	136
ILE	38	A	5
ALA	39	A	24
PRO	40	A	73
ILE	41	A	25
LEU	42	A	1
ASP	43	A	43
GLU	44	A	80
ILE	45	A	0
ALA	46	A	6
ASP	47	A	77
GLU	48	A	68
TYR	49	A	16
GLN	50	A	121
GLY	51	A	85
LYS	52	A	132
LEU	53	A	10
THR	54	A	61
VAL	55	A	2
ALA	56	A	0
LYS	57	A	29
LEU	58	A	0
ASN	59	A	7
ILE	60	A	38
ASP	61	A	88
GLN	62	A	121
ASN	63	A	18
PRO	64	A	90
GLY	65	A	32
THR	66	A	0
ALA	67	A	11
PRO	68	A	90
LYS	69	A	142
TYR	70	A	79
GLY	71	A	59
ILE	72	A	30
ARG	73	A	251
GLY	74	A	34
ILE	75	A	33
PRO	76	A	3
THR	77	A	7
LEU	78	A	2
LEU	79	A	4
LEU	80	A	0
PHE	81	A	2
LYS	82	A	71
ASN	83	A	149
GLY	84	A	33
GLU	85	A	143
VAL	86	A	51
ALA	87	A	48
ALA	88	A	17
THR	89	A	76
LYS	90	A	73
VAL	91	A	87
GLY	92	A	26
ALA	93	A	44
LEU	94	A	14
SER	95	A	58
LYS	96	A	59
GLY	97	A	44
GLN	98	A	106
LEU	99	A	1
LYS	100	A	72
GLU	101	A	145
PHE	102	A	36
LEU	103	A	0
ASP	104	A	84
ALA	105	A	80
ASN	106	A	43
LEU	107	A	42
ALA	108	A	155

Residue name	Residue number	Atom name	Chain	B-value
ALA	29	O	A	0.6
GLU	30	N	A	1.4
CYS	32	N	A	1.1
CYS	32	CA	A	0.7
LYS	36	N	A	0.7
LYS	36	CA	A	1.2
GLN	50	N	A	0.9
GLN	50	CA	A	1.4
LYS	52	O	A	1.3
LEU	53	N	A	0.4
PRO	64	N	A	1.0
GLY	65	C	A	1.0
ALA	67	O	A	0.6
PRO	68	N	A	1.3
GLY	74	N	A	1.2
GLY	74	CA	A	0.7
ASN	106	N	A	0.7
ASN	106	CA	A	1.2
ALA	108	N	A	5.2

Residue name	Residue number	Chain	ASA
SER	1	A	91
ASP	2	A	131
LYS	3	A	62
ILE	4	A	23
ILE	5	A	62
HIS	6	A	127
LEU	7	A	0
THR	8	A	44
ASP	9	A	39
ASP	10	A	154
SER	11	A	28
PHE	12	A	6
ASP	13	A	55
THR	14	A	18
ASP	15	A	33
VAL	16	A	2
LEU	17	A	43
LYS	18	A	61
ALA	19	A	28
ASP	20	A	65
GLY	21	A	43
ALA	22	A	8
ILE	23	A	5
LEU	24	A	1
VAL	25	A	0
ASP	26	A	2
PHE	27	A	0
TRP	28	A	46
ALA	29	A	0
GLU	30	A	118
TRP	31	A	164
CYS	32	A	7
GLY	33	A	43
PRO	34	A	63
CYS	35	A	3
LYS	36	A	115
MET	37	A	136
ILE	38	A	5
ALA	39	A	24
PRO	40	A	73
ILE	41	A	25
LEU	42	A	1
ASP	43	A	43
GLU	44	A	80
ILE	45	A	0
ALA	46	A	6
ASP	47	A	77
GLU	48	A	68
TYR	49	A	16
GLN	50	A	121
GLY	51	A	85
LYS	52	A	132
LEU	53	A	10
THR	54	A	61
VAL	55	A	2
ALA	56	A	0
LYS	57	A	29
LEU	58	A	0
ASN	59	A	7
ILE	60	A	38
ASP	61	A	88
GLN	62	A	121
ASN	63	A	18
PRO	64	A	90
GLY	65	A	32
THR	66	A	0
ALA	67	A	11
PRO	68	A	90
LYS	69	A	142
TYR	70	A	79
GLY	71	A	59
ILE	72	A	30
ARG	73	A	251
GLY	74	A	34
ILE	75	A	33
PRO	76	A	3
THR	77	A	7
LEU	78	A	2
LEU	79	A	4
LEU	80	A	0
PHE	81	A	2
LYS	82	A	71
ASN	83	A	149
GLY	84	A	33
GLU	85	A	143
VAL	86	A	51
ALA	87	A	48
ALA	88	A	17
THR	89	A	76
LYS	90	A	73
VAL	91	A	87
GLY	92	A	26
ALA	93	A	44
LEU	94	A	14
SER	95	A	58
LYS	96	A	59
GLY	97	A	44
GLN	98	A	106
LEU	99	A	1
LYS	100	A	72
GLU	101	A	145
PHE	102	A	36
LEU	103	A	0
ASP	104	A	84
ALA	105	A	80
ASN	106	A	43
LEU	107	A	42
ALA	108	A	155

Residue name	Residue number	Atom name	Chain	B-value
ALA	29	O	A	0.6
GLU	30	N	A	1.4
CYS	32	N	A	1.1
CYS	32	CA	A	0.7
LYS	36	N	A	0.7
LYS	36	CA	A	1.2
GLN	50	N	A	0.9
GLN	50	CA	A	1.4
LYS	52	O	A	1.3
LEU	53	N	A	0.4
PRO	64	N	A	1.0
GLY	65	C	A	1.0
ALA	67	O	A	0.6
PRO	68	N	A	1.3
GLY	74	N	A	1.2
GLY	74	CA	A	0.7
ASN	106	N	A	0.7
ASN	106	CA	A	1.2
ALA	108	N	A	5.2

Residue name	Residue number	Chain	ASA
SER	1	A	91
ASP	2	A	131
LYS	3	A	62
ILE	4	A	23
ILE	5	A	62
HIS	6	A	127
LEU	7	A	0
THR	8	A	44
ASP	9	A	39
ASP	10	A	154
SER	11	A	28
PHE	12	A	6
ASP	13	A	55
THR	14	A	18
ASP	15	A	33
VAL	16	A	2
LEU	17	A	43
LYS	18	A	61
ALA	19	A	28
ASP	20	A	65
GLY	21	A	43
ALA	22	A	8
ILE	23	A	5
LEU	24	A	1
VAL	25	A	0
ASP	26	A	2
PHE	27	A	0
TRP	28	A	46
ALA	29	A	0
GLU	30	A	118
TRP	31	A	164
CYS	32	A	7
GLY	33	A	43
PRO	34	A	63
CYS	35	A	3
LYS	36	A	115
MET	37	A	136
ILE	38	A	5
ALA	39	A	24
PRO	40	A	73
ILE	41	A	25
LEU	42	A	1
ASP	43	A	43
GLU	44	A	80
ILE	45	A	0
ALA	46	A	6
ASP	47	A	77
GLU	48	A	68
TYR	49	A	16
GLN	50	A	121
GLY	51	A	85
LYS	52	A	132
LEU	53	A	10
THR	54	A	61
VAL	55	A	2
ALA	56	A	0
LYS	57	A	29
LEU	58	A	0
ASN	59	A	7
ILE	60	A	38
ASP	61	A	88
GLN	62	A	121
ASN	63	A	18
PRO	64	A	90
GLY	65	A	32
THR	66	A	0
ALA	67	A	11
PRO	68	A	90
LYS	69	A	142
TYR	70	A	79
GLY	71	A	59
ILE	72	A	30
ARG	73	A	251
GLY	74	A	34
ILE	75	A	33
PRO	76	A	3
THR	77	A	7
LEU	78	A	2
LEU	79	A	4
LEU	80	A	0
PHE	81	A	2
LYS	82	A	71
ASN	83	A	149
GLY	84	A	33
GLU	85	A	143
VAL	86	A	51
ALA	87	A	48
ALA	88	A	17
THR	89	A	76
LYS	90	A	73
VAL	91	A	87
GLY	92	A	26
ALA	93	A	44
LEU	94	A	14
SER	95	A	58
LYS	96	A	59
GLY	97	A	44
GLN	98	A	106
LEU	99	A	1
LYS	100	A	72
GLU	101	A	145
PHE	102	A	36
LEU	103	A	0
ASP	104	A	84
ALA	105	A	80
ASN	106	A	43
LEU	107	A	42
ALA	108	A	155

Residue name	Residue number	Atom name	Chain	B-value
ALA	29	O	A	0.6
GLU	30	N	A	1.4
CYS	32	N	A	1.1
CYS	32	CA	A	0.7
LYS	36	N	A	0.7
LYS	36	CA	A	1.2
GLN	50	N	A	0.9
GLN	50	CA	A	1.4
LYS	52	O	A	1.3
LEU	53	N	A	0.4
PRO	64	N	A	1.0
GLY	65	C	A	1.0
ALA	67	O	A	0.6
PRO	68	N	A	1.3
GLY	74	N	A	1.2
GLY	74	CA	A	0.7
ASN	106	N	A	0.7
ASN	106	CA	A	1.2
ALA	108	N	A	5.2