![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: J3759
Calculation Name: 2G6T-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2G6T
Chain ID: A
UniProt ID: Q97H28
Base Structure: X-ray
Registration Date: 2023-06-19
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 306 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4780400.645533 |
---|---|
FMO2-HF: Nuclear repulsion | 4651915.37579 |
FMO2-HF: Total energy | -128485.269743 |
FMO2-MP2: Total energy | -128856.05099 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F020704/ligand_interaction/ligand_F020704.png)
Ligand Interaction
![ligand interaction](./Kdata/F020704/ligand_interaction/ligand_interaction_F020704.png)
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:1:MET)
Summations of interaction energy for
fragment #1(A:1:MET)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-23.969 | -14.49 | 7.598 | -5.754 | -11.323 | -0.062 |
Interaction energy analysis for fragmet #1(A:1:MET)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 3 | LYS | 1 | 0.920 | 0.960 | 2.882 | -5.451 | -3.058 | 0.621 | -0.401 | -2.613 | -0.005 |
4 | A | 4 | CYS | 0 | -0.045 | -0.019 | 4.096 | 0.731 | 0.857 | 0.002 | -0.010 | -0.118 | 0.000 |
5 | A | 5 | LEU | 0 | 0.034 | 0.031 | 7.265 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | ILE | 0 | -0.013 | 0.002 | 10.714 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | TRP | 0 | 0.020 | 0.005 | 13.149 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | GLY | 0 | -0.001 | 0.011 | 16.883 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | VAL | 0 | 0.007 | -0.015 | 16.856 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | ASN | 0 | -0.001 | -0.004 | 19.148 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | ASP | -1 | -0.843 | -0.924 | 20.945 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | GLU | -1 | -0.787 | -0.884 | 19.822 | -0.310 | -0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | TYR | 0 | -0.035 | -0.042 | 13.474 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | THR | 0 | -0.033 | -0.026 | 17.091 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | LEU | 0 | -0.032 | -0.015 | 19.559 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | ALA | 0 | -0.017 | -0.016 | 15.575 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | TYR | 0 | -0.027 | -0.013 | 14.698 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | ASP | -1 | -0.854 | -0.933 | 14.200 | -0.450 | -0.450 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | LYS | 1 | 0.829 | 0.917 | 13.548 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | LEU | 0 | -0.002 | 0.001 | 10.608 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | LEU | 0 | 0.016 | 0.016 | 9.710 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | PHE | 0 | 0.017 | 0.011 | 10.804 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | GLU | -1 | -0.733 | -0.857 | 7.091 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | ILE | 0 | 0.008 | 0.009 | 6.077 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | SER | 0 | -0.103 | -0.053 | 6.740 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | LYS | 1 | 0.706 | 0.841 | 7.460 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | GLY | 0 | -0.002 | 0.009 | 4.244 | 0.824 | 1.035 | 0.000 | -0.045 | -0.165 | 0.000 |
28 | A | 28 | ASN | 0 | -0.098 | -0.080 | 2.527 | -1.969 | 0.738 | 2.732 | -2.033 | -3.407 | -0.025 |
29 | A | 29 | LEU | 0 | -0.061 | -0.038 | 2.451 | -4.453 | -2.668 | 2.586 | -2.182 | -2.190 | -0.021 |
30 | A | 30 | SER | 0 | 0.001 | -0.018 | 2.669 | -2.857 | -1.487 | 1.644 | -0.856 | -2.158 | -0.012 |
31 | A | 31 | ILE | 0 | 0.018 | 0.015 | 3.853 | 0.517 | 0.558 | 0.001 | 0.029 | -0.071 | 0.000 |
32 | A | 32 | GLU | -1 | -0.865 | -0.916 | 4.561 | -3.236 | -3.171 | -0.001 | -0.009 | -0.055 | 0.000 |
33 | A | 33 | ALA | 0 | -0.002 | -0.009 | 8.367 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | LEU | 0 | -0.012 | -0.012 | 12.108 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | ILE | 0 | 0.022 | 0.015 | 14.848 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | SER | 0 | -0.015 | -0.034 | 17.441 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | LYS | 1 | 0.926 | 0.968 | 20.881 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | ASP | -1 | -0.812 | -0.880 | 24.515 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | LYS | 1 | 0.820 | 0.900 | 22.495 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | TYR | 0 | -0.039 | -0.045 | 22.721 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | ALA | 0 | 0.008 | 0.010 | 22.223 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | LYS | 1 | 0.956 | 0.967 | 21.976 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | TYR | 0 | -0.036 | -0.032 | 16.732 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | ILE | 0 | -0.008 | 0.000 | 16.882 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | ASP | -1 | -0.772 | -0.848 | 14.655 | -0.633 | -0.633 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | GLY | 0 | -0.018 | 0.001 | 14.102 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | LYS | 1 | 0.829 | 0.911 | 8.030 | 1.438 | 1.438 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | GLU | -1 | -0.773 | -0.862 | 13.877 | -0.386 | -0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | VAL | 0 | -0.041 | -0.013 | 15.436 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | ILE | 0 | -0.028 | 0.001 | 15.301 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | ASP | -1 | -0.828 | -0.926 | 18.924 | -0.283 | -0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | LYS | 1 | 0.788 | 0.872 | 19.449 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | THR | 0 | -0.014 | -0.022 | 20.326 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | GLU | -1 | -0.874 | -0.917 | 19.130 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | ILE | 0 | -0.013 | -0.002 | 14.711 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | SER | 0 | -0.032 | -0.024 | 14.906 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | ASN | 0 | -0.042 | -0.008 | 16.031 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | TYR | 0 | -0.041 | -0.033 | 10.749 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | GLU | -1 | -0.883 | -0.933 | 8.537 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | PHE | 0 | -0.034 | -0.037 | 7.468 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | ASP | -1 | -0.822 | -0.888 | 5.752 | 0.176 | 0.281 | -0.001 | -0.002 | -0.101 | 0.000 |
62 | A | 62 | TYR | 0 | -0.064 | -0.090 | 6.430 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | ILE | 0 | 0.011 | 0.017 | 10.113 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | ILE | 0 | -0.046 | -0.028 | 8.973 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | ILE | 0 | 0.002 | 0.007 | 13.246 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | PHE | 0 | 0.001 | -0.008 | 12.695 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | ASN | 0 | -0.015 | -0.039 | 18.024 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | LYS | 1 | 0.807 | 0.905 | 21.777 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | GLU | -1 | -0.820 | -0.903 | 23.811 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | ARG | 1 | 0.791 | 0.880 | 25.778 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | TYR | 0 | 0.042 | 0.022 | 18.681 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | SER | 0 | -0.004 | -0.017 | 23.094 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | ASP | -1 | -0.824 | -0.898 | 25.568 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | ILE | 0 | 0.005 | 0.008 | 20.173 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | LYS | 1 | 0.880 | 0.926 | 20.782 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | ASN | 0 | -0.021 | -0.014 | 21.923 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | GLU | -1 | -0.788 | -0.870 | 23.241 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | ALA | 0 | 0.014 | 0.005 | 18.849 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | LEU | 0 | -0.039 | -0.027 | 20.800 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | GLU | -1 | -0.882 | -0.945 | 23.050 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | LEU | 0 | -0.053 | -0.017 | 20.496 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | GLY | 0 | -0.009 | 0.002 | 21.410 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | ILE | 0 | -0.018 | 0.000 | 16.151 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | PRO | 0 | 0.002 | 0.004 | 16.894 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | GLU | -1 | -0.727 | -0.863 | 17.246 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | ARG | 1 | 0.838 | 0.921 | 10.410 | 0.444 | 0.444 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | LYS | 1 | 0.837 | 0.937 | 11.723 | 0.399 | 0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | ILE | 0 | -0.013 | 0.003 | 13.788 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | LEU | 0 | 0.045 | 0.019 | 10.053 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | ASN | 0 | -0.010 | -0.024 | 14.700 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | GLY | 0 | 0.087 | 0.073 | 15.091 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | LYS | 1 | 0.860 | 0.914 | 16.087 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | PHE | 0 | 0.000 | -0.003 | 15.666 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | PHE | 0 | 0.075 | 0.031 | 9.946 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | PHE | 0 | -0.061 | -0.030 | 15.111 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | ILE | 0 | -0.019 | 0.014 | 16.935 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | SER | 0 | -0.006 | -0.023 | 17.626 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | ASN | 0 | -0.060 | -0.032 | 16.416 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | PHE | 0 | -0.025 | 0.005 | 10.449 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | ASP | -1 | -0.762 | -0.869 | 8.170 | 0.683 | 0.683 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | PHE | 0 | 0.038 | 0.009 | 5.181 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | LYS | 1 | 0.992 | 1.007 | 3.584 | -8.368 | -7.703 | 0.015 | -0.246 | -0.434 | 0.001 |
103 | A | 103 | ARG | 1 | 0.810 | 0.881 | 5.335 | -0.522 | -0.511 | -0.001 | 0.001 | -0.011 | 0.000 |
104 | A | 104 | TYR | 0 | -0.064 | -0.049 | 8.858 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | CYS | 0 | 0.036 | 0.018 | 5.971 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | LYS | 1 | 0.826 | 0.935 | 7.405 | -0.603 | -0.603 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | LEU | 0 | -0.052 | -0.036 | 8.539 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | ILE | 0 | -0.014 | 0.007 | 10.721 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | GLU | -1 | -0.799 | -0.882 | 8.103 | -0.455 | -0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | ASN | 0 | -0.040 | -0.014 | 11.047 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | PRO | 0 | 0.011 | 0.022 | 13.367 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | ILE | 0 | 0.002 | 0.022 | 15.294 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | THR | 0 | -0.061 | -0.045 | 17.378 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | ILE | 0 | -0.004 | 0.010 | 20.242 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | ILE | 0 | -0.003 | 0.013 | 23.085 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | SER | 0 | -0.001 | -0.028 | 26.701 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | ASP | -1 | -0.728 | -0.849 | 29.059 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | ASP | -1 | -0.810 | -0.901 | 30.895 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | CYS | 0 | 0.012 | 0.021 | 30.528 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | TRP | 0 | 0.018 | 0.005 | 22.553 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | GLY | 0 | 0.059 | 0.020 | 24.346 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | GLY | 0 | 0.072 | 0.042 | 23.748 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | LEU | 0 | -0.015 | 0.008 | 24.855 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | VAL | 0 | 0.018 | -0.003 | 20.403 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | SER | 0 | -0.042 | -0.029 | 20.058 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | SER | 0 | -0.019 | -0.030 | 20.333 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | TYR | 0 | -0.086 | -0.074 | 19.682 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | LEU | 0 | -0.011 | -0.001 | 15.972 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | GLY | 0 | 0.022 | 0.021 | 16.843 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | PHE | 0 | -0.029 | -0.012 | 13.661 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | LYS | 1 | 0.880 | 0.918 | 18.484 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | PHE | 0 | 0.034 | 0.010 | 20.739 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | ASN | 0 | 0.004 | 0.008 | 18.506 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | SER | 0 | 0.023 | -0.001 | 22.613 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | PRO | 0 | 0.011 | 0.020 | 25.659 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | PHE | 0 | -0.034 | -0.021 | 27.930 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | ILE | 0 | -0.042 | -0.010 | 25.980 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | ASN | 0 | -0.039 | -0.043 | 30.093 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | PHE | 0 | 0.036 | 0.024 | 32.648 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | TYR | 0 | -0.034 | -0.025 | 34.037 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | ILE | 0 | 0.000 | 0.015 | 34.709 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | HIS | 0 | 0.052 | 0.029 | 37.018 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | ASN | 0 | 0.013 | 0.001 | 36.686 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | ASP | -1 | -0.773 | -0.901 | 38.100 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | ASP | -1 | -0.779 | -0.888 | 39.637 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | TYR | 0 | -0.040 | -0.048 | 29.568 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | ILE | 0 | -0.017 | -0.012 | 34.628 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | LYS | 1 | 0.864 | 0.941 | 36.112 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | PHE | 0 | 0.007 | 0.005 | 30.831 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | LEU | 0 | -0.003 | -0.009 | 29.731 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | GLU | -1 | -0.809 | -0.864 | 32.464 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | ASN | 0 | -0.050 | -0.015 | 35.140 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | MET | 0 | 0.013 | 0.025 | 27.827 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | ASP | -1 | -0.823 | -0.905 | 30.628 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | TYR | 0 | 0.083 | 0.046 | 33.141 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | TYR | 0 | -0.046 | -0.050 | 35.744 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | LEU | 0 | -0.037 | -0.022 | 29.897 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | GLU | -1 | -0.931 | -0.947 | 34.226 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | GLN | 0 | -0.059 | -0.024 | 36.750 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | GLU | -1 | -0.868 | -0.922 | 38.250 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | LEU | 0 | -0.051 | -0.014 | 38.089 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | LYS | 1 | 0.888 | 0.936 | 40.526 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | VAL | 0 | 0.033 | 0.017 | 43.862 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | GLU | -1 | -0.835 | -0.899 | 45.289 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | GLN | 0 | -0.013 | -0.024 | 46.300 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | GLU | -1 | -0.796 | -0.905 | 46.229 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | GLY | 0 | 0.047 | 0.023 | 46.375 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | ASN | 0 | 0.001 | -0.027 | 47.639 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | VAL | 0 | 0.048 | 0.027 | 46.329 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | TYR | 0 | -0.024 | -0.010 | 48.868 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | SER | 0 | -0.024 | -0.014 | 51.380 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | CYS | 0 | -0.031 | -0.012 | 47.915 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | THR | 0 | -0.052 | -0.006 | 47.192 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | MET | 0 | 0.022 | 0.027 | 42.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | PRO | 0 | 0.082 | 0.052 | 42.295 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | LYS | 1 | 0.782 | 0.889 | 42.284 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | GLY | 0 | 0.063 | 0.035 | 41.580 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | SER | 0 | -0.050 | -0.028 | 41.975 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | LEU | 0 | -0.006 | 0.015 | 36.262 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | GLY | 0 | 0.101 | 0.043 | 40.918 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | THR | 0 | -0.075 | -0.060 | 42.731 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | GLY | 0 | 0.018 | 0.034 | 46.590 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | ASP | -1 | -0.858 | -0.939 | 47.947 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | ASN | 0 | -0.023 | -0.013 | 43.737 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | LYS | 1 | 0.779 | 0.904 | 43.056 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | ILE | 0 | 0.002 | 0.005 | 38.202 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | ILE | 0 | -0.005 | -0.002 | 41.405 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | LEU | 0 | -0.035 | -0.002 | 35.772 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | ASN | 0 | -0.036 | -0.042 | 38.731 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | PHE | 0 | 0.085 | 0.030 | 35.785 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | ASN | 0 | -0.037 | -0.026 | 35.901 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | HIS | 0 | -0.047 | -0.025 | 35.101 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | GLN | 0 | 0.033 | 0.023 | 35.194 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | ALA | 0 | 0.006 | 0.009 | 39.395 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | SER | 0 | -0.056 | -0.053 | 42.749 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | PHE | 0 | -0.007 | -0.014 | 41.912 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | ALA | 0 | 0.000 | 0.003 | 41.765 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | GLU | -1 | -0.810 | -0.873 | 39.494 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | ALA | 0 | -0.014 | -0.011 | 37.661 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | LYS | 1 | 0.787 | 0.875 | 37.033 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | ASN | 0 | -0.044 | -0.019 | 37.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | ASP | -1 | -0.780 | -0.857 | 32.987 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | TRP | 0 | -0.024 | -0.011 | 32.553 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | ASP | -1 | -0.880 | -0.961 | 32.736 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | GLU | -1 | -0.774 | -0.852 | 29.191 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | ARG | 1 | 0.803 | 0.884 | 27.045 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | LYS | 1 | 0.849 | 0.920 | 27.998 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | THR | 0 | -0.069 | -0.046 | 28.665 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | ARG | 1 | 0.781 | 0.877 | 23.858 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | ILE | 0 | -0.006 | 0.003 | 23.163 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | ASN | 0 | 0.045 | 0.008 | 16.961 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | LYS | 1 | 0.809 | 0.865 | 20.751 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | LYS | 1 | 0.895 | 0.958 | 17.605 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | ASN | 0 | -0.035 | -0.026 | 14.078 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | LEU | 0 | 0.028 | 0.023 | 17.925 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | PHE | 0 | -0.014 | 0.003 | 19.453 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | VAL | 0 | 0.001 | 0.001 | 21.619 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | LYS | 1 | 0.769 | 0.879 | 25.261 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | MET | 0 | -0.005 | 0.019 | 27.202 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | LEU | 0 | -0.026 | -0.017 | 30.684 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | ILE | 0 | 0.009 | 0.005 | 33.196 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | LYS | 1 | 0.891 | 0.933 | 36.283 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | ASP | -1 | -0.838 | -0.897 | 38.534 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | ASP | -1 | -0.838 | -0.924 | 40.291 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | ASN | 0 | 0.039 | 0.004 | 40.114 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | GLU | -1 | -0.706 | -0.843 | 39.184 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | LYS | 1 | 0.802 | 0.897 | 39.440 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | LEU | 0 | 0.006 | 0.006 | 37.515 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | VAL | 0 | -0.015 | -0.001 | 34.353 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | LYS | 1 | 0.890 | 0.942 | 34.474 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | ARG | 1 | 0.805 | 0.878 | 35.481 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | PHE | 0 | 0.072 | 0.024 | 28.108 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | ASP | -1 | -0.766 | -0.857 | 29.981 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | ASN | 0 | -0.089 | -0.066 | 30.570 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | LEU | 0 | 0.005 | 0.038 | 30.131 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | PRO | 0 | 0.037 | 0.023 | 28.857 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | TYR | 0 | -0.018 | -0.036 | 25.098 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | LYS | 1 | 0.890 | 0.933 | 21.641 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | ASN | 0 | 0.011 | 0.014 | 17.466 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | LYS | 1 | 0.797 | 0.908 | 21.231 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | VAL | 0 | -0.012 | 0.000 | 24.077 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | CYS | 0 | -0.016 | -0.007 | 25.999 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | PHE | 0 | 0.022 | 0.011 | 25.476 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | HIS | 0 | 0.013 | -0.002 | 31.031 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | PRO | 0 | 0.001 | -0.012 | 34.188 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | LYS | 1 | 0.797 | 0.887 | 36.361 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | PRO | 0 | 0.034 | 0.021 | 33.595 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | MET | 0 | 0.000 | 0.000 | 33.760 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | LYS | 1 | 0.838 | 0.909 | 33.671 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | TYR | 0 | -0.041 | -0.042 | 32.766 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | LYS | 1 | 0.910 | 0.947 | 27.412 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | SER | 0 | -0.007 | -0.015 | 26.697 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | VAL | 0 | -0.065 | -0.041 | 27.738 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | ALA | 0 | -0.009 | 0.001 | 26.935 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | PHE | 0 | -0.018 | -0.009 | 28.358 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | PHE | 0 | 0.051 | 0.010 | 25.943 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | PRO | 0 | 0.013 | 0.012 | 30.665 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | ARG | 1 | 0.885 | 0.927 | 30.273 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | TYR | 0 | 0.036 | 0.019 | 33.152 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | ILE | 0 | 0.023 | 0.010 | 34.555 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | TRP | 0 | 0.053 | 0.029 | 35.975 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | ARG | 1 | 0.810 | 0.894 | 33.927 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | CYS | 0 | -0.039 | -0.005 | 37.721 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | ILE | 0 | 0.005 | 0.000 | 40.360 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | ASN | 0 | -0.028 | -0.023 | 40.529 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | TYR | 0 | -0.009 | 0.006 | 37.536 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | ALA | 0 | 0.038 | 0.022 | 40.382 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | ALA | 0 | 0.005 | 0.013 | 40.302 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | ARG | 1 | 0.782 | 0.904 | 39.817 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | THR | 0 | 0.026 | 0.010 | 38.370 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | SER | 0 | -0.003 | -0.013 | 40.753 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | ASN | 0 | 0.034 | 0.022 | 41.360 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | SER | 0 | 0.006 | -0.012 | 40.678 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | ASN | 0 | 0.035 | 0.024 | 37.943 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | LEU | 0 | 0.025 | 0.019 | 32.774 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | GLU | -1 | -0.745 | -0.860 | 33.093 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | GLN | 0 | 0.011 | 0.001 | 32.556 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | TYR | 0 | -0.036 | -0.043 | 29.771 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | THR | 0 | -0.039 | -0.036 | 28.849 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | MET | 0 | 0.001 | 0.003 | 27.655 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | ASP | -1 | -0.823 | -0.868 | 28.480 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | MET | 0 | 0.037 | 0.020 | 22.545 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | SER | 0 | -0.002 | -0.006 | 25.619 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | TRP | 0 | -0.033 | -0.020 | 27.957 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | LEU | 0 | 0.032 | 0.035 | 23.737 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | GLU | -1 | -0.764 | -0.854 | 22.066 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 287 | LYS | 1 | 0.766 | 0.871 | 22.853 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 288 | SER | 0 | -0.001 | 0.001 | 25.623 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 289 | CYS | 0 | -0.106 | -0.061 | 22.222 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 290 | ASP | -1 | -0.764 | -0.885 | 16.188 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 291 | ILE | 0 | 0.025 | 0.005 | 18.281 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 292 | LEU | 0 | 0.028 | 0.025 | 11.866 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 293 | LYS | 1 | 0.793 | 0.888 | 14.426 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 294 | MET | 0 | -0.024 | -0.013 | 15.417 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 295 | LEU | 0 | 0.010 | 0.008 | 16.043 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 296 | CYS | 0 | -0.073 | -0.020 | 11.920 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 297 | GLY | 0 | 0.036 | 0.026 | 14.178 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 298 | GLU | -1 | -0.843 | -0.909 | 11.737 | 0.734 | 0.734 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 299 | GLU | -1 | -0.877 | -0.947 | 16.357 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 300 | ASP | -1 | -0.836 | -0.907 | 18.735 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 301 | PHE | 0 | 0.028 | 0.024 | 18.959 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 302 | ILE | 0 | -0.024 | -0.003 | 20.241 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 303 | ARG | 1 | 0.882 | 0.942 | 21.637 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 304 | GLU | -1 | -0.873 | -0.915 | 24.289 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 305 | LYS | 1 | 0.863 | 0.911 | 24.427 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 306 | ALA | 0 | 0.017 | 0.017 | 30.217 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |