1 | K0 | CompressibilityAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | -25.5 | -33.12 | -32.82 | -36.17 | -34.54 | -27 | -31.84 | -31.78 | -32.4 | -31.78 | -31.18 | -30.9 | -23.25 | -32.6 | -26.62 | -29.88 | -31.23 | -30.62 | -30.24 | -35.01 |
Normalized value | 0.83 | 0.24 | 0.26 | 0 | 0.13 | 0.71 | 0.34 | 0.34 | 0.29 | 0.34 | 0.39 | 0.41 | 1 | 0.28 | 0.74 | 0.49 | 0.38 | 0.43 | 0.46 | 0.09 |
|
2 | Ht | Thermodynamic transfer hydrophobicityAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 0.87 | 0.66 | 1.52 | 0.67 | 2.87 | 0.1 | 0.87 | 3.15 | 1.64 | 2.17 | 1.67 | 0.09 | 2.77 | 0 | 0.85 | 0.07 | 0.07 | 1.87 | 3.77 | 2.67 |
Normalized value | 0.23 | 0.18 | 0.4 | 0.18 | 0.76 | 0.03 | 0.23 | 0.84 | 0.44 | 0.58 | 0.44 | 0.02 | 0.73 | 0 | 0.23 | 0.02 | 0.02 | 0.5 | 1 | 0.71 |
|
3 | Hp | Surrounding hydrophobicityAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 13.05 | 11.1 | 14.3 | 11.41 | 13.89 | 12.2 | 12.42 | 15.34 | 11.01 | 14.19 | 13.62 | 11.72 | 11.06 | 11.78 | 12.4 | 11.68 | 12.12 | 14.73 | 13.96 | 13.57 |
Normalized value | 0.47 | 0.02 | 0.76 | 0.09 | 0.67 | 0.27 | 0.33 | 1 | 0 | 0.73 | 0.6 | 0.16 | 0.01 | 0.18 | 0.32 | 0.15 | 0.26 | 0.86 | 0.68 | 0.59 |
|
4 | P | PolarityAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 0 | 49.7 | 1.48 | 49.9 | 0.35 | 0 | 51.6 | 0.1 | 49.5 | 0.13 | 1.43 | 3.38 | 1.58 | 3.53 | 52 | 1.67 | 1.66 | 0.13 | 2.1 | 1.61 |
Normalized value | 0 | 0.96 | 0.03 | 0.96 | 0.01 | 0 | 0.99 | 0 | 0.95 | 0 | 0.03 | 0.07 | 0.03 | 0.07 | 1 | 0.03 | 0.03 | 0 | 0.04 | 0.03 |
|
5 | pHi | Isoelectric pointAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 6 | 2.77 | 5.05 | 5.22 | 5.48 | 5.97 | 7.59 | 6.02 | 9.74 | 5.98 | 5.74 | 5.41 | 6.3 | 5.65 | 10.76 | 5.68 | 5.66 | 5.96 | 5.89 | 5.66 |
Normalized value | 0.4 | 0 | 0.29 | 0.31 | 0.34 | 0.4 | 0.6 | 0.41 | 0.87 | 0.4 | 0.37 | 0.33 | 0.44 | 0.36 | 1 | 0.36 | 0.36 | 0.4 | 0.39 | 0.36 |
|
6 | pK' | Equilibrium constant with reference to the ionization property of COOH groupAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 2.34 | 2.01 | 1.65 | 2.19 | 1.89 | 2.34 | 1.82 | 1.36 | 2.18 | 2.36 | 2.28 | 2.02 | 1.99 | 2.17 | 1.81 | 2.21 | 2.1 | 2.32 | 2.38 | 2.2 |
Normalized value | 0.96 | 0.64 | 0.28 | 0.81 | 0.52 | 0.96 | 0.45 | 0 | 0.8 | 0.98 | 0.9 | 0.65 | 0.62 | 0.79 | 0.44 | 0.83 | 0.73 | 0.94 | 1 | 0.82 |
|
7 | Mw | Molecular weightAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 89 | 133 | 121 | 147 | 165 | 75 | 155 | 131 | 146 | 131 | 149 | 132 | 115 | 146 | 174 | 105 | 119 | 117 | 204 | 181 |
Normalized value | 0.11 | 0.45 | 0.36 | 0.56 | 0.7 | 0 | 0.62 | 0.43 | 0.55 | 0.43 | 0.57 | 0.44 | 0.31 | 0.55 | 0.77 | 0.23 | 0.34 | 0.33 | 1 | 0.82 |
|
8 | Bl | BulkinessAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 11.5 | 11.68 | 13.46 | 13.57 | 19.8 | 3.4 | 13.67 | 21.4 | 15.71 | 21.4 | 16.25 | 12.82 | 17.43 | 14.45 | 14.28 | 9.47 | 15.77 | 21.57 | 21.61 | 18.03 |
Normalized value | 0.44 | 0.45 | 0.55 | 0.56 | 0.9 | 0 | 0.56 | 0.99 | 0.68 | 0.99 | 0.71 | 0.52 | 0.77 | 0.61 | 0.6 | 0.33 | 0.68 | 1 | 1 | 0.8 |
|
9 | Rf | Chromatographic indexAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 9.9 | 2.8 | 2.8 | 3.2 | 18.8 | 5.6 | 8.2 | 17.1 | 3.5 | 17.6 | 14.7 | 5.4 | 14.8 | 9 | 4.6 | 6.9 | 9.5 | 14.3 | 17 | 15 |
Normalized value | 0.44 | 0 | 0 | 0.03 | 1 | 0.18 | 0.34 | 0.89 | 0.04 | 0.93 | 0.74 | 0.16 | 0.75 | 0.39 | 0.11 | 0.26 | 0.42 | 0.72 | 0.89 | 0.76 |
|
10 | Mu | Refractive indexAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 14.34 | 12 | 35.77 | 17.26 | 29.4 | 0 | 21.81 | 19.06 | 21.29 | 18.78 | 21.64 | 13.28 | 10.93 | 17.56 | 26.66 | 6.35 | 11.01 | 13.92 | 42.53 | 31.55 |
Normalized value | 0.34 | 0.28 | 0.84 | 0.41 | 0.69 | 0 | 0.51 | 0.45 | 0.5 | 0.44 | 0.51 | 0.31 | 0.26 | 0.41 | 0.63 | 0.15 | 0.26 | 0.33 | 1 | 0.74 |
|
11 | Hnc | Normalized consensus hydrophobicityAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 0.62 | 0.9 | 0.29 | -0.74 | 1.19 | 0.48 | -0.4 | 1.38 | -1.5 | 1.06 | 0.64 | -0.78 | 0.12 | -0.85 | -2.53 | -0.18 | -0.05 | 1.08 | 0.81 | 0.26 |
Normalized value | 0.81 | 0.88 | 0.72 | 0.46 | 0.95 | 0.77 | 0.54 | 1 | 0.26 | 0.92 | 0.81 | 0.45 | 0.68 | 0.43 | 0 | 0.6 | 0.63 | 0.92 | 0.85 | 0.71 |
|
12 | Esm | Short and medium range non-bonded energyAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 1.4 | 1.16 | 1.37 | 1.16 | 1.14 | 1.36 | 1.22 | 1.19 | 1.07 | 1.32 | 1.3 | 1.18 | 1.24 | 1.12 | 0.92 | 1.3 | 1.25 | 1.25 | 1.03 | 1.03 |
Normalized value | 1 | 0.5 | 0.94 | 0.5 | 0.46 | 0.92 | 0.63 | 0.56 | 0.31 | 0.83 | 0.79 | 0.54 | 0.67 | 0.42 | 0 | 0.79 | 0.69 | 0.69 | 0.23 | 0.23 |
|
13 | El | Long-rangenon-bondedenergyAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 0.49 | 0.35 | 0.67 | 0.37 | 0.72 | 0.53 | 0.54 | 0.76 | 0.3 | 0.65 | 0.65 | 0.38 | 0.46 | 0.4 | 0.55 | 0.45 | 0.52 | 0.73 | 0.83 | 0.65 |
Normalized value | 0.36 | 0.09 | 0.7 | 0.13 | 0.79 | 0.43 | 0.45 | 0.87 | 0 | 0.66 | 0.66 | 0.15 | 0.3 | 0.19 | 0.47 | 0.28 | 0.42 | 0.81 | 1 | 0.66 |
|
14 | Et | Total non-bonded energyAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 1.9 | 1.52 | 2.04 | 1.54 | 1.86 | 1.9 | 1.76 | 1.95 | 1.37 | 1.97 | 1.96 | 1.56 | 1.7 | 1.52 | 1.48 | 1.75 | 1.77 | 1.98 | 1.87 | 1.69 |
Normalized value | 0.79 | 0.22 | 1 | 0.25 | 0.73 | 0.79 | 0.58 | 0.87 | 0 | 0.9 | 0.88 | 0.28 | 0.49 | 0.22 | 0.16 | 0.57 | 0.6 | 0.91 | 0.75 | 0.48 |
|
15 | Pa | Alpha-helical tendencyAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 1.42 | 1.01 | 0.7 | 1.51 | 1.13 | 0.57 | 1 | 1.08 | 1.16 | 1.21 | 1.45 | 0.67 | 0.57 | 1.11 | 0.98 | 0.77 | 0.83 | 1.06 | 1.08 | 0.69 |
Normalized value | 0.9 | 0.47 | 0.14 | 1 | 0.6 | 0 | 0.46 | 0.54 | 0.63 | 0.68 | 0.94 | 0.11 | 0 | 0.57 | 0.44 | 0.21 | 0.28 | 0.52 | 0.54 | 0.13 |
|
16 | Pb | Beta-helical tendencyAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 0.83 | 0.54 | 1.19 | 0.37 | 1.38 | 0.75 | 0.87 | 1.6 | 0.74 | 1.3 | 1.05 | 0.89 | 0.55 | 1.1 | 0.93 | 0.75 | 1.19 | 1.7 | 1.37 | 1.47 |
Normalized value | 0.35 | 0.13 | 0.62 | 0 | 0.76 | 0.29 | 0.38 | 0.92 | 0.28 | 0.7 | 0.51 | 0.39 | 0.14 | 0.55 | 0.42 | 0.29 | 0.62 | 1 | 0.75 | 0.83 |
|
17 | Pt | Turn tendencyAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 0.66 | 1.46 | 1.19 | 0.74 | 0.6 | 1.56 | 0.95 | 0.47 | 1.01 | 0.59 | 0.6 | 1.56 | 1.52 | 0.98 | 0.95 | 1.43 | 0.96 | 0.5 | 0.96 | 1.14 |
Normalized value | 0.17 | 0.91 | 0.66 | 0.25 | 0.12 | 1 | 0.44 | 0 | 0.5 | 0.11 | 0.12 | 1 | 0.96 | 0.47 | 0.44 | 0.88 | 0.45 | 0.03 | 0.45 | 0.61 |
|
18 | Pc | Coil tendencyAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 0.71 | 1.21 | 1.19 | 0.84 | 0.71 | 1.52 | 1.07 | 0.66 | 0.99 | 0.69 | 0.59 | 1.37 | 1.61 | 0.87 | 1.07 | 1.34 | 1.08 | 0.63 | 0.76 | 1.07 |
Normalized value | 0.12 | 0.61 | 0.59 | 0.25 | 0.12 | 0.91 | 0.47 | 0.07 | 0.39 | 0.1 | 0 | 0.76 | 1 | 0.27 | 0.47 | 0.74 | 0.48 | 0.04 | 0.17 | 0.47 |
|
19 | Ca | Helical contact areaAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 20 | 26 | 25 | 33 | 46 | 13 | 37 | 39 | 46 | 35 | 43 | 28 | 22 | 36 | 55 | 20 | 28 | 33 | 61 | 46 |
Normalized value | 0.15 | 0.27 | 0.25 | 0.42 | 0.69 | 0 | 0.5 | 0.54 | 0.69 | 0.46 | 0.62 | 0.31 | 0.19 | 0.48 | 0.88 | 0.15 | 0.31 | 0.42 | 1 | 0.69 |
|
20 | F | Mean rms fluctuation al displacementAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 0.96 | 1.14 | 0.87 | 1.07 | 0.69 | 1.16 | 0.8 | 0.76 | 1.14 | 0.79 | 0.78 | 1.04 | 1.16 | 1.07 | 1.05 | 1.13 | 0.96 | 0.79 | 0.77 | 1.01 |
Normalized value | 0.57 | 0.96 | 0.38 | 0.81 | 0 | 1 | 0.23 | 0.15 | 0.96 | 0.21 | 0.19 | 0.74 | 1 | 0.81 | 0.77 | 0.94 | 0.57 | 0.21 | 0.17 | 0.68 |
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21 | Br | BuriednessAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 0.38 | 0.14 | 0.57 | 0.09 | 0.51 | 0.38 | 0.31 | 0.56 | 0.04 | 0.5 | 0.42 | 0.15 | 0.18 | 0.11 | 0.07 | 0.23 | 0.23 | 0.48 | 0.4 | 0.26 |
Normalized value | 0.64 | 0.19 | 1 | 0.09 | 0.89 | 0.64 | 0.51 | 0.98 | 0 | 0.87 | 0.72 | 0.21 | 0.26 | 0.13 | 0.06 | 0.36 | 0.36 | 0.83 | 0.68 | 0.42 |
|
22 | Ra | Solvent accessible reduction ratioAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 3.7 | 2.6 | 3.03 | 3.3 | 6.6 | 3.13 | 3.57 | 7.69 | 1.79 | 5.88 | 5.21 | 2.12 | 2.12 | 2.7 | 2.53 | 2.43 | 2.6 | 7.14 | 6.25 | 3.03 |
Normalized value | 0.32 | 0.14 | 0.21 | 0.26 | 0.82 | 0.23 | 0.3 | 1 | 0 | 0.69 | 0.58 | 0.06 | 0.06 | 0.15 | 0.13 | 0.11 | 0.14 | 0.91 | 0.76 | 0.21 |
|
23 | Ns | Average number of surrounding residuesAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 6.05 | 4.95 | 7.86 | 5.1 | 6.62 | 6.16 | 5.8 | 7.51 | 4.88 | 7.37 | 6.39 | 5.04 | 5.65 | 5.45 | 5.7 | 5.53 | 5.81 | 7.62 | 6.98 | 6.73 |
Normalized value | 0.39 | 0.02 | 1 | 0.07 | 0.58 | 0.43 | 0.31 | 0.88 | 0 | 0.84 | 0.51 | 0.05 | 0.26 | 0.19 | 0.28 | 0.22 | 0.31 | 0.92 | 0.7 | 0.62 |
|
24 | aN | Power to beat the N-terminal of alphahelixAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 1.59 | 0.53 | 0.33 | 1.45 | 1.14 | 0.53 | 0.89 | 1.22 | 1.13 | 1.91 | 1.25 | 0.53 | 0 | 0.98 | 0.67 | 0.7 | 0.75 | 1.42 | 1.33 | 0.58 |
Normalized value | 0.83 | 0.28 | 0.17 | 0.76 | 0.6 | 0.28 | 0.47 | 0.64 | 0.59 | 1 | 0.65 | 0.28 | 0 | 0.51 | 0.35 | 0.37 | 0.39 | 0.74 | 0.7 | 0.3 |
|
25 | aC | Power to beat the C-terminal of alphahelixAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 1.44 | 2.13 | 0.76 | 2.01 | 1.01 | 0.62 | 0.56 | 0.68 | 0.59 | 0.58 | 0.73 | 0.93 | 2.19 | 1.2 | 0.39 | 0.81 | 1.25 | 0.63 | 1.4 | 0.72 |
Normalized value | 0.58 | 0.97 | 0.21 | 0.9 | 0.34 | 0.13 | 0.09 | 0.16 | 0.11 | 0.11 | 0.19 | 0.3 | 1 | 0.45 | 0 | 0.23 | 0.48 | 0.13 | 0.56 | 0.18 |
|
26 | aM | Power to beat the middle of alphahelixAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 1.22 | 0.56 | 1.53 | 1.28 | 1.13 | 0.4 | 2.23 | 0.77 | 1.65 | 1.05 | 1.47 | 0.93 | 0 | 1.63 | 1.59 | 0.87 | 0.46 | 1.2 | 0.46 | 0.52 |
Normalized value | 0.55 | 0.25 | 0.69 | 0.57 | 0.51 | 0.18 | 1 | 0.35 | 0.74 | 0.47 | 0.66 | 0.42 | 0 | 0.73 | 0.71 | 0.39 | 0.21 | 0.54 | 0.21 | 0.23 |
|
27 | V0 | Partial-specific volumeAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 60.46 | 73.83 | 67.7 | 85.88 | 121.48 | 43.25 | 98.79 | 107.72 | 108.5 | 107.75 | 105.35 | 78.01 | 82.83 | 93.9 | 127.34 | 60.62 | 76.83 | 90.78 | 143.91 | 123.6 |
Normalized value | 0.17 | 0.3 | 0.24 | 0.42 | 0.78 | 0 | 0.55 | 0.64 | 0.65 | 0.64 | 0.62 | 0.35 | 0.39 | 0.5 | 0.84 | 0.17 | 0.33 | 0.47 | 1 | 0.8 |
|
28 | Nm | Average medium-range contactsAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 2.11 | 1.8 | 1.88 | 2.09 | 1.98 | 1.53 | 1.98 | 1.77 | 1.96 | 2.19 | 2.27 | 1.84 | 1.32 | 2.03 | 1.94 | 1.57 | 1.57 | 1.63 | 1.9 | 1.67 |
Normalized value | 0.83 | 0.51 | 0.59 | 0.81 | 0.69 | 0.22 | 0.69 | 0.47 | 0.67 | 0.92 | 1 | 0.55 | 0 | 0.75 | 0.65 | 0.26 | 0.26 | 0.33 | 0.61 | 0.37 |
|
29 | Nl | Average long-range contactsAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 3.92 | 2.85 | 5.55 | 2.72 | 4.53 | 4.31 | 3.77 | 5.58 | 2.79 | 4.59 | 4.14 | 3.64 | 3.57 | 3.06 | 3.78 | 3.75 | 4.09 | 5.43 | 4.83 | 4.93 |
Normalized value | 0.42 | 0.05 | 0.99 | 0 | 0.63 | 0.56 | 0.37 | 1 | 0.02 | 0.65 | 0.5 | 0.32 | 0.3 | 0.12 | 0.37 | 0.36 | 0.48 | 0.95 | 0.74 | 0.77 |
|
30 | Hgm | Combined surrounding hydrophobicity (globularandmembrane)Amino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 13.85 | 11.61 | 15.37 | 11.38 | 13.93 | 13.34 | 13.82 | 15.28 | 11.58 | 14.13 | 13.86 | 13.02 | 12.35 | 12.61 | 13.1 | 13.39 | 12.7 | 14.56 | 15.48 | 13.88 |
Normalized value | 0.6 | 0.06 | 0.97 | 0 | 0.62 | 0.48 | 0.6 | 0.95 | 0.05 | 0.67 | 0.6 | 0.4 | 0.24 | 0.3 | 0.42 | 0.49 | 0.32 | 0.78 | 1 | 0.61 |
|
31 | ASAD | Solvent accessible surface area for denatured proteinAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 104 | 132.2 | 132.5 | 161.9 | 182 | 73.4 | 165.8 | 171.5 | 195.2 | 161.4 | 189.8 | 134.9 | 135.1 | 164.9 | 210.2 | 111.4 | 130.4 | 143.9 | 208.8 | 196.4 |
Normalized value | 0.22 | 0.43 | 0.43 | 0.65 | 0.79 | 0 | 0.68 | 0.72 | 0.89 | 0.64 | 0.85 | 0.45 | 0.45 | 0.67 | 1 | 0.28 | 0.42 | 0.52 | 0.99 | 0.9 |
|
32 | ASAN | Solvent accessible surface area for native proteinAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 33.2 | 62.4 | 17.9 | 81 | 33.1 | 29.2 | 57.7 | 28.3 | 107.5 | 31.1 | 41.3 | 60.5 | 60.7 | 71.5 | 94.5 | 48.7 | 52 | 28.1 | 39.5 | 50.4 |
Normalized value | 0.17 | 0.5 | 0 | 0.7 | 0.17 | 0.13 | 0.44 | 0.12 | 1 | 0.15 | 0.26 | 0.48 | 0.48 | 0.6 | 0.85 | 0.34 | 0.38 | 0.11 | 0.24 | 0.36 |
|
33 | DASA | Solvent accessible surface area for protein unfoldingAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 70.9 | 69.6 | 114.3 | 80.5 | 148.4 | 44 | 107.9 | 142.7 | 87.5 | 129.8 | 147.9 | 74 | 73.5 | 93.3 | 116 | 62.8 | 78 | 115.6 | 167.8 | 145.9 |
Normalized value | 0.22 | 0.21 | 0.57 | 0.29 | 0.84 | 0 | 0.52 | 0.8 | 0.35 | 0.69 | 0.84 | 0.24 | 0.24 | 0.4 | 0.58 | 0.15 | 0.27 | 0.58 | 1 | 0.82 |
|
34 | DGh | Gibbs free energy change of hydration for unfoldingAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | -0.54 | -2.97 | -1.64 | -3.71 | -1.06 | -0.59 | -3.38 | 0.32 | -2.19 | 0.27 | -0.6 | -3.55 | 0.32 | -3.92 | -5.96 | -3.82 | -1.97 | 0.13 | -3.8 | -5.64 |
Normalized value | 0.86 | 0.48 | 0.69 | 0.36 | 0.78 | 0.86 | 0.41 | 1 | 0.6 | 0.99 | 0.85 | 0.38 | 1 | 0.32 | 0 | 0.34 | 0.64 | 0.97 | 0.34 | 0.05 |
|
35 | GhD | Gibbs free energy change of hydration for denatured proteinAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | -0.58 | -6.1 | -1.91 | -7.37 | -1.35 | -0.82 | -5.57 | 0.4 | -5.97 | 0.35 | -0.71 | -6.63 | 0.56 | -7.12 | -12.78 | -6.18 | -3.66 | 0.18 | -4.71 | -8.45 |
Normalized value | 0.91 | 0.5 | 0.81 | 0.41 | 0.86 | 0.9 | 0.54 | 0.99 | 0.51 | 0.98 | 0.9 | 0.46 | 1 | 0.42 | 0 | 0.49 | 0.68 | 0.97 | 0.6 | 0.32 |
|
36 | GdN | Gibbs free energy change of hydration for native proteinAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | -0.06 | -3.11 | -0.27 | -3.62 | -0.28 | -0.23 | -2.18 | 0.07 | -1.7 | 0.07 | -0.1 | -3.03 | 0.23 | -3.15 | -6.85 | -2.36 | -1.69 | 0.04 | -0.88 | -2.82 |
Normalized value | 0.96 | 0.53 | 0.93 | 0.46 | 0.93 | 0.94 | 0.66 | 0.98 | 0.73 | 0.98 | 0.95 | 0.54 | 1 | 0.52 | 0 | 0.63 | 0.73 | 0.97 | 0.84 | 0.57 |
|
37 | DHh | Unfolding enthalpy change of hydrationAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | -2.24 | -4.54 | -3.43 | -5.63 | -5.11 | -1.46 | -6.83 | -3.84 | -5.02 | -3.52 | -4.16 | -5.68 | -1.95 | -6.23 | -10.43 | -5.94 | -4.39 | -3.15 | -8.99 | -10.67 |
Normalized value | 0.92 | 0.67 | 0.79 | 0.55 | 0.6 | 1 | 0.42 | 0.74 | 0.61 | 0.78 | 0.71 | 0.54 | 0.95 | 0.48 | 0.03 | 0.51 | 0.68 | 0.82 | 0.18 | 0 |
|
38 | -TDSh | Unfolding entropy change of hydrationAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 1.7 | 1.57 | 1.79 | 1.92 | 4.05 | 0.87 | 3.45 | 4.16 | 2.83 | 3.79 | 3.56 | 2.13 | 2.27 | 2.31 | 4.47 | 2.12 | 2.42 | 3.28 | 5.19 | 5.03 |
0.19 | 0.16 | 0.21 | 0.24 | 0.74 | 0 | 0.6 | 0.76 | 0.45 | 0.68 | 0.62 | 0.29 | 0.32 | 0.33 | 0.83 | 0.29 | 0.36 | 0.56 | 1 | 0.96 |
|
39 | DCph | Unfolding hydration heat capacity changeAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 14.22 | 2.73 | 9.41 | 3.17 | 39.06 | 4.88 | 20.05 | 41.98 | 17.68 | 38.26 | 31.67 | 3.91 | 23.69 | 3.74 | 16.66 | 6.14 | 16.11 | 32.58 | 37.69 | 30.54 |
Normalized value | 0.29 | 0 | 0.17 | 0.01 | 0.93 | 0.05 | 0.44 | 1 | 0.38 | 0.91 | 0.74 | 0.03 | 0.53 | 0.03 | 0.35 | 0.09 | 0.34 | 0.76 | 0.89 | 0.71 |
|
40 | DGc | Unfolding Gibbs free energy change of chainAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 0.51 | 2.89 | 2.71 | 3.58 | 3.22 | 0.68 | 3.95 | -0.4 | 1.87 | -0.35 | 1.13 | 3.26 | -0.39 | 3.69 | 5.25 | 3.42 | 1.74 | -0.19 | 5.59 | 6.56 |
Normalized value | 0.13 | 0.47 | 0.45 | 0.57 | 0.52 | 0.16 | 0.62 | 0 | 0.33 | 0.01 | 0.22 | 0.53 | 0 | 0.59 | 0.81 | 0.55 | 0.31 | 0.03 | 0.86 | 1 |
|
41 | DHc | Unfolding enthalpy change of chainAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 2.77 | 4.72 | 8.64 | 5.69 | 11.93 | 1.23 | 7.64 | 4.03 | 3.57 | 3.69 | 7.06 | 3.64 | 1.97 | 4.47 | 6.03 | 5.8 | 4.42 | 3.45 | 13.46 | 14.41 |
Normalized value | 0.12 | 0.26 | 0.56 | 0.34 | 0.81 | 0 | 0.49 | 0.21 | 0.18 | 0.19 | 0.44 | 0.18 | 0.06 | 0.25 | 0.36 | 0.35 | 0.24 | 0.17 | 0.93 | 1 |
|
42 | -TDSc | Unfolding entropy change of chainAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | -2.25 | -1.83 | -5.92 | -2.11 | -8.71 | -0.55 | -3.69 | -4.42 | -1.7 | -4.04 | -5.93 | -0.39 | -2.36 | -0.78 | -0.78 | -2.38 | -2.68 | -3.64 | -7.87 | -7.95 |
Normalized value | 0.78 | 0.83 | 0.34 | 0.79 | 0 | 0.98 | 0.6 | 0.52 | 0.84 | 0.56 | 0.33 | 1 | 0.76 | 0.95 | 0.95 | 0.76 | 0.72 | 0.61 | 0.1 | 0.09 |
|
43 | DGc | Unfolding Gibbs free energy changeAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | -0.02 | -0.08 | 1.08 | -0.13 | 2.16 | 0.09 | 0.56 | -0.08 | -0.32 | -0.08 | 0.53 | -0.3 | -0.06 | -0.23 | -0.71 | -0.4 | -0.24 | -0.06 | 1.78 | 0.91 |
Normalized value | 0.24 | 0.22 | 0.62 | 0.2 | 1 | 0.28 | 0.44 | 0.22 | 0.14 | 0.22 | 0.43 | 0.14 | 0.23 | 0.17 | 0 | 0.11 | 0.16 | 0.23 | 0.87 | 0.56 |
|
44 | DHc | Unfolding enthalpy changeAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 0.51 | 0.18 | 5.21 | 0.05 | 6.82 | -0.23 | 0.79 | 0.19 | -1.45 | 0.17 | 2.89 | -2.03 | 0.02 | -1.76 | -4.4 | -0.16 | 0.04 | 0.3 | 4.47 | 3.73 |
Normalized value | 0.44 | 0.41 | 0.86 | 0.4 | 1 | 0.37 | 0.46 | 0.41 | 0.26 | 0.41 | 0.65 | 0.21 | 0.39 | 0.24 | 0 | 0.38 | 0.4 | 0.42 | 0.79 | 0.72 |
|
45 | -TDSc | Unfolding entropy changeAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | -0.54 | -0.26 | -4.14 | -0.19 | -4.66 | 0.31 | -0.23 | -0.27 | 1.13 | -0.24 | -2.36 | 1.74 | -0.08 | 1.53 | 3.69 | -0.24 | -0.28 | -0.36 | -2.69 | -2.82 |
Normalized value | 0.49 | 0.53 | 0.06 | 0.54 | 0 | 0.6 | 0.53 | 0.53 | 0.69 | 0.53 | 0.28 | 0.77 | 0.55 | 0.74 | 1 | 0.53 | 0.52 | 0.51 | 0.24 | 0.22 |
|
46 | v | Volume (number of non-hydrogen side chain atoms)Amino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 1 | 4 | 2 | 5 | 7 | 0 | 6 | 4 | 5 | 4 | 4 | 4 | 3 | 5 | 7 | 2 | 3 | 3 | 10 | 8 |
Normalized value | 0.1 | 0.4 | 0.2 | 0.5 | 0.7 | 0 | 0.6 | 0.4 | 0.5 | 0.4 | 0.4 | 0.4 | 0.3 | 0.5 | 0.7 | 0.2 | 0.3 | 0.3 | 1 | 0.8 |
|
47 | s | Shape (position of branch point in aside-chain)Amino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 0 | 2 | 0 | 3 | 2 | 0 | 2 | 1 | 0 | 2 | 0 | 2 | 0 | 3 | 5 | 0 | 1 | 1 | 2 | 2 |
Normalized value | 0 | 0.4 | 0 | 0.6 | 0.4 | 0 | 0.4 | 0.2 | 0 | 0.4 | 0 | 0.4 | 0 | 0.6 | 1 | 0 | 0.2 | 0.2 | 0.4 | 0.4 |
|
48 | f | Flexibility (number of side-chain dihedral angles)Amino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 0 | 2 | 1 | 3 | 2 | 0 | 2 | 2 | 4 | 2 | 3 | 2 | 0 | 3 | 5 | 1 | 1 | 1 | 2 | 2 |
Normalized value | 0 | 0.4 | 0.2 | 0.6 | 0.4 | 0 | 0.4 | 0.4 | 0.8 | 0.4 | 0.6 | 0.4 | 0 | 0.6 | 1 | 0.2 | 0.2 | 0.2 | 0.4 | 0.4 |
|
49 | Pf-s | Backbone dihedral probabilityAmino acid | A | D | C | E | F | G | H | I | K | L | M | N | P | Q | R | S | T | V | W | Y |
Actual value | 0.65 | 2.6 | 0.95 | 0.8 | 0.55 | 3.55 | 2.8 | 0.05 | 1.7 | 0.35 | 0.55 | 5.25 | 0 | 1.4 | 1.45 | 1.1 | 0.05 | 0.1 | 0.65 | 0.95 |
Normalized value | 0.12 | 0.5 | 0.18 | 0.15 | 0.1 | 0.68 | 0.53 | 0.01 | 0.32 | 0.07 | 0.1 | 1 | 0 | 0.27 | 0.28 | 0.21 | 0.01 | 0.02 | 0.12 | 0.18 |
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