FMODB ID: 85Q1Y
Calculation Name: 1GG3-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1GG3
Chain ID: A
UniProt ID: P11171
Base Structure: X-ray
Registration Date: 2023-06-26
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 | OptH |
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 | 279 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3962426.418546 |
---|---|
FMO2-HF: Nuclear repulsion | 3849150.805021 |
FMO2-HF: Total energy | -113275.613525 |
FMO2-MP2: Total energy | -113606.860341 |
3D Structure
Ligand structure
Ligand Interaction
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. |
-24.889 | -18.356 | 15.508 | -7.32 | -14.723 | -0.057 |
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 | CYS | 0 | -0.075 | -0.034 | 3.792 | -1.992 | -0.172 | -0.018 | -0.710 | -1.091 | -0.001 |
4 | A | 4 | LYS | 1 | 0.932 | 0.973 | 5.552 | 2.117 | 2.117 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 5 | VAL | 0 | -0.021 | -0.018 | 9.041 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | SER | 0 | -0.037 | -0.013 | 11.636 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | LEU | 0 | 0.043 | -0.011 | 15.085 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | LEU | 0 | -0.058 | -0.040 | 17.573 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | ASP | -1 | -0.819 | -0.912 | 20.930 | -0.568 | -0.568 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | ASP | -1 | -0.924 | -0.958 | 20.449 | -0.445 | -0.445 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | THR | 0 | 0.027 | 0.049 | 17.844 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | VAL | 0 | -0.068 | -0.044 | 12.808 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | TYR | 0 | 0.043 | 0.026 | 11.070 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | GLU | -1 | -0.839 | -0.938 | 9.748 | -1.481 | -1.481 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | CYS | 0 | -0.024 | -0.001 | 7.653 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | VAL | 0 | 0.038 | 0.017 | 2.462 | -2.000 | -1.028 | 0.412 | -0.505 | -0.879 | 0.001 |
17 | A | 17 | VAL | 0 | -0.002 | 0.018 | 2.631 | 1.329 | 2.813 | 0.197 | -0.542 | -1.139 | -0.002 |
18 | A | 18 | GLU | -1 | -0.879 | -0.948 | 1.984 | -8.712 | -10.482 | 7.509 | -3.143 | -2.597 | -0.034 |
19 | A | 19 | LYS | 1 | 0.937 | 0.944 | 2.796 | -4.632 | -3.387 | 0.355 | -0.422 | -1.179 | 0.001 |
20 | A | 20 | HIS | 0 | -0.063 | -0.034 | 3.681 | 0.793 | 0.914 | 0.007 | 0.111 | -0.240 | 0.000 |
21 | A | 21 | ALA | 0 | 0.075 | 0.057 | 5.514 | 0.375 | 0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | LYS | 1 | 0.884 | 0.943 | 7.309 | 0.892 | 0.892 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | GLY | 0 | 0.079 | 0.020 | 9.326 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | GLN | 0 | 0.078 | 0.041 | 10.853 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | ASP | -1 | -0.924 | -0.962 | 12.025 | -0.979 | -0.979 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | LEU | 0 | -0.046 | -0.003 | 9.367 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | LEU | 0 | 0.036 | 0.009 | 7.194 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | LYS | 1 | 0.910 | 0.980 | 9.635 | 1.194 | 1.194 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | ARG | 1 | 0.886 | 0.957 | 13.253 | 0.868 | 0.868 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | VAL | 0 | -0.038 | -0.015 | 9.494 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | CYS | 0 | -0.034 | -0.041 | 12.750 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | GLU | -1 | -0.833 | -0.904 | 14.355 | -0.811 | -0.811 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | HIS | 0 | 0.011 | -0.009 | 15.271 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | LEU | 0 | -0.058 | -0.010 | 14.966 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | ASN | 0 | -0.005 | -0.012 | 17.169 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | LEU | 0 | -0.063 | -0.022 | 19.939 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | LEU | 0 | -0.031 | -0.017 | 20.881 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | GLU | -1 | -0.856 | -0.910 | 22.137 | -0.505 | -0.505 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | GLU | -1 | -0.858 | -0.918 | 24.348 | -0.370 | -0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | ASP | -1 | -0.863 | -0.936 | 19.540 | -0.745 | -0.745 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | TYR | 0 | -0.084 | -0.062 | 21.865 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | PHE | 0 | 0.027 | 0.012 | 23.269 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | GLY | 0 | 0.051 | -0.064 | 22.962 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | LEU | 0 | 0.016 | 0.032 | 20.394 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | ALA | 0 | 0.013 | -0.025 | 17.626 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | ILE | 0 | 0.011 | 0.031 | 11.490 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | TRP | 0 | -0.049 | -0.010 | 14.275 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | ASP | -1 | -0.833 | -0.905 | 11.202 | -1.095 | -1.095 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | ASN | 0 | -0.034 | -0.029 | 13.300 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | ALA | 0 | 0.017 | -0.009 | 15.841 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | THR | 0 | -0.017 | -0.010 | 18.173 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | SER | 0 | -0.046 | -0.037 | 20.894 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | LYS | 1 | 0.955 | 1.012 | 18.397 | 0.472 | 0.472 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | THR | 0 | -0.037 | -0.050 | 15.759 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | TRP | 0 | -0.011 | 0.027 | 15.647 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | LEU | 0 | 0.035 | 0.031 | 9.651 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | ASP | -1 | -0.904 | -0.989 | 13.775 | -0.539 | -0.539 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | SER | 0 | 0.049 | -0.011 | 13.633 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | ALA | 0 | 0.005 | 0.006 | 14.459 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | LYS | 1 | 0.858 | 0.926 | 13.086 | 0.531 | 0.531 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | GLU | -1 | -0.864 | -0.936 | 7.942 | -0.308 | -0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | ILE | 0 | 0.052 | 0.032 | 5.887 | 0.391 | 0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | LYS | 1 | 0.982 | 1.004 | 4.863 | -3.023 | -3.023 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | LYS | 1 | 0.859 | 0.907 | 6.243 | 0.395 | 0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | GLN | 0 | -0.046 | -0.014 | 9.658 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | VAL | 0 | 0.074 | 0.074 | 5.403 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | ARG | 1 | 0.886 | 0.947 | 7.828 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | GLY | 0 | -0.022 | -0.006 | 8.499 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | VAL | 0 | 0.012 | -0.003 | 8.088 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | PRO | 0 | -0.015 | 0.009 | 5.586 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | TRP | 0 | 0.012 | -0.002 | 2.470 | -6.439 | -3.762 | 7.047 | -2.105 | -7.619 | -0.022 |
72 | A | 72 | ASN | 0 | 0.013 | 0.005 | 5.215 | -0.608 | -0.624 | -0.001 | -0.004 | 0.021 | 0.000 |
73 | A | 73 | PHE | 0 | -0.009 | -0.031 | 6.531 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | THR | 0 | -0.032 | -0.010 | 11.482 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | PHE | 0 | 0.040 | 0.016 | 15.008 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | ASN | 0 | -0.058 | -0.040 | 16.728 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | VAL | 0 | 0.074 | 0.089 | 20.033 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | LYS | 1 | 0.715 | 0.856 | 19.796 | 0.612 | 0.612 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | PHE | 0 | -0.059 | 0.005 | 23.103 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | TYR | 0 | -0.046 | -0.056 | 26.098 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | PRO | 0 | 0.034 | 0.048 | 29.039 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | PRO | 0 | -0.021 | 0.001 | 31.583 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | ASP | -1 | -0.814 | -0.934 | 35.185 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | PRO | 0 | 0.009 | 0.000 | 32.928 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | ALA | 0 | 0.051 | 0.044 | 34.307 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | GLN | 0 | -0.087 | -0.035 | 35.644 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | LEU | 0 | -0.081 | -0.031 | 29.601 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | THR | 0 | -0.009 | -0.006 | 31.107 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | GLU | -1 | -0.890 | -0.962 | 27.495 | -0.398 | -0.398 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | ASP | -1 | -0.877 | -0.969 | 31.410 | -0.283 | -0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | ILE | 0 | 0.049 | 0.046 | 25.878 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | THR | 0 | -0.010 | -0.032 | 26.579 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | ARG | 1 | 0.844 | 0.931 | 27.700 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | TYR | 0 | 0.050 | 0.044 | 25.686 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | TYR | 0 | 0.041 | 0.003 | 22.561 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | LEU | 0 | -0.051 | -0.025 | 25.875 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | CYS | 0 | 0.017 | 0.018 | 27.926 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | LEU | 0 | 0.041 | 0.028 | 24.107 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | GLN | 0 | 0.020 | 0.023 | 22.952 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | LEU | 0 | -0.038 | -0.011 | 25.878 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | ARG | 1 | 0.961 | 0.994 | 28.621 | 0.345 | 0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | GLN | 0 | 0.007 | 0.011 | 23.273 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | ASP | -1 | -0.870 | -0.919 | 26.604 | -0.379 | -0.379 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | ILE | 0 | -0.024 | -0.022 | 28.378 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | VAL | 0 | 0.020 | 0.027 | 28.628 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | ALA | 0 | -0.042 | -0.017 | 26.817 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | GLY | 0 | -0.025 | -0.017 | 28.884 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | ARG | 1 | 0.822 | 0.911 | 24.543 | 0.391 | 0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | LEU | 0 | 0.001 | -0.006 | 30.297 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | PRO | 0 | -0.033 | -0.001 | 33.227 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | CYS | 0 | -0.002 | -0.013 | 36.303 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | SER | 0 | 0.012 | 0.011 | 39.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | PHE | 0 | 0.088 | 0.053 | 41.461 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | ALA | 0 | 0.004 | 0.009 | 43.306 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | THR | 0 | 0.006 | -0.021 | 39.341 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | LEU | 0 | 0.005 | 0.004 | 36.629 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | ALA | 0 | 0.073 | 0.027 | 39.315 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | LEU | 0 | -0.038 | 0.007 | 41.600 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | LEU | 0 | 0.005 | 0.036 | 36.238 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | GLY | 0 | 0.037 | 0.013 | 36.947 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | SER | 0 | -0.026 | -0.057 | 37.727 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | TYR | 0 | 0.006 | -0.018 | 38.098 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | THR | 0 | -0.030 | -0.011 | 33.100 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | ILE | 0 | 0.010 | -0.005 | 35.134 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | GLN | 0 | -0.016 | 0.003 | 37.406 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | SER | 0 | -0.021 | -0.025 | 33.722 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | GLU | -1 | -0.971 | -0.983 | 30.147 | -0.334 | -0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | LEU | 0 | -0.052 | -0.014 | 33.904 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | GLY | 0 | 0.012 | 0.021 | 37.107 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | ASP | -1 | -0.858 | -0.941 | 39.624 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | TYR | 0 | -0.021 | -0.023 | 43.077 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | ASP | -1 | -0.773 | -0.884 | 43.879 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | PRO | 0 | -0.066 | -0.038 | 45.190 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | GLU | -1 | -0.881 | -0.963 | 42.167 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | LEU | 0 | -0.087 | 0.003 | 40.405 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | HIS | 0 | -0.147 | -0.095 | 42.597 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | GLY | 0 | 0.050 | 0.039 | 43.679 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | VAL | 0 | -0.063 | -0.010 | 44.677 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | ASP | -1 | -0.938 | -1.040 | 42.878 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | TYR | 0 | 0.070 | 0.021 | 39.948 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | VAL | 0 | -0.013 | -0.026 | 37.791 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | SER | 0 | -0.042 | -0.016 | 37.174 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | ASP | -1 | -0.889 | -0.927 | 33.921 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | PHE | 0 | -0.092 | -0.051 | 31.941 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | LYS | 1 | 0.850 | 0.928 | 26.068 | 0.352 | 0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | LEU | 0 | 0.032 | -0.006 | 31.948 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | ALA | 0 | -0.066 | -0.049 | 34.687 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | PRO | 0 | -0.037 | -0.002 | 32.776 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | ASN | 0 | -0.077 | -0.032 | 33.799 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | GLN | 0 | 0.112 | 0.066 | 34.749 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | THR | 0 | -0.018 | -0.006 | 37.953 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | LYS | 1 | 1.058 | 1.021 | 41.644 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | GLU | -1 | -0.914 | -0.947 | 43.809 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | LEU | 0 | -0.061 | -0.051 | 39.236 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | GLU | -1 | -0.880 | -0.947 | 39.468 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | GLU | -1 | -0.881 | -0.941 | 42.417 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | LYS | 1 | 0.888 | 0.954 | 44.900 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | VAL | 0 | -0.008 | 0.020 | 39.708 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | MET | 0 | 0.015 | 0.038 | 42.383 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | GLU | -1 | -0.953 | -0.973 | 44.464 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | LEU | 0 | -0.058 | -0.037 | 44.098 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | HIS | 0 | 0.040 | 0.054 | 41.363 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | LYS | 1 | 0.867 | 0.952 | 43.925 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | SER | 0 | -0.136 | -0.062 | 47.165 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | TYR | 0 | -0.044 | -0.028 | 42.265 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | ARG | 1 | 0.994 | 0.987 | 45.584 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | SER | 0 | -0.113 | -0.066 | 45.134 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | MET | 0 | -0.027 | 0.020 | 41.095 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | THR | 0 | -0.002 | -0.029 | 38.945 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | PRO | 0 | 0.085 | 0.022 | 34.882 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | ALA | 0 | 0.061 | 0.042 | 35.183 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | GLN | 0 | -0.020 | 0.004 | 36.177 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | ALA | 0 | 0.029 | 0.013 | 37.373 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | ASP | -1 | -0.807 | -0.920 | 32.553 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | LEU | 0 | -0.036 | -0.028 | 35.569 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | GLU | -1 | -0.863 | -0.921 | 37.604 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | PHE | 0 | -0.010 | 0.002 | 33.114 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | LEU | 0 | -0.045 | -0.045 | 32.126 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | GLU | -1 | -0.825 | -0.905 | 36.034 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | ASN | 0 | -0.064 | -0.049 | 39.253 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | ALA | 0 | -0.009 | -0.013 | 34.664 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | LYS | 1 | 0.776 | 0.908 | 36.195 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | LYS | 1 | 0.869 | 0.929 | 37.131 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | LEU | 0 | -0.035 | 0.014 | 36.350 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | SER | 0 | -0.007 | 0.002 | 37.851 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | MET | 0 | -0.057 | -0.058 | 34.115 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | TYR | 0 | 0.006 | -0.031 | 32.421 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | GLY | 0 | 0.041 | 0.009 | 29.645 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | VAL | 0 | -0.095 | -0.047 | 30.668 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | ASP | -1 | -0.868 | -0.945 | 24.892 | -0.386 | -0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | LEU | 0 | 0.030 | 0.013 | 28.076 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | HIS | 0 | -0.082 | -0.028 | 24.753 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | LYS | 1 | 0.980 | 0.983 | 28.908 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | ALA | 0 | -0.081 | -0.047 | 30.341 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | LYS | 1 | 0.934 | 0.975 | 32.999 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | ASP | -1 | -0.816 | -0.920 | 36.456 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | LEU | 0 | -0.079 | -0.039 | 38.791 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | GLU | -1 | -0.855 | -0.927 | 41.374 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | GLY | 0 | -0.109 | -0.043 | 40.420 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | VAL | 0 | -0.025 | 0.000 | 40.588 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | ASP | -1 | -0.854 | -0.950 | 36.978 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | ILE | 0 | -0.057 | 0.001 | 35.196 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | ILE | 0 | -0.035 | -0.034 | 32.492 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | LEU | 0 | -0.020 | -0.004 | 31.763 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | GLY | 0 | 0.052 | 0.016 | 31.462 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | VAL | 0 | -0.034 | -0.021 | 28.707 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | CYS | 0 | 0.058 | 0.057 | 30.504 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | SER | 0 | 0.113 | 0.053 | 31.821 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | SER | 0 | -0.028 | -0.017 | 33.354 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | GLY | 0 | 0.032 | -0.032 | 35.249 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | LEU | 0 | -0.011 | 0.003 | 32.914 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | LEU | 0 | -0.052 | -0.015 | 34.884 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | VAL | 0 | -0.014 | -0.002 | 35.621 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | TYR | 0 | 0.015 | 0.001 | 35.601 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | LYS | 1 | 0.990 | 0.975 | 38.793 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | ASP | -1 | -0.855 | -0.882 | 39.693 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | LYS | 1 | 0.892 | 0.899 | 40.657 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | LEU | 0 | 0.064 | 0.025 | 40.928 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | ARG | 1 | 1.000 | 1.050 | 40.411 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | ILE | 0 | -0.040 | -0.072 | 41.339 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | ASN | 0 | 0.000 | 0.016 | 40.915 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | ARG | 1 | 0.926 | 0.945 | 39.577 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | PHE | 0 | 0.038 | 0.012 | 37.820 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | PRO | 0 | -0.042 | -0.019 | 37.810 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | TRP | 0 | 0.087 | 0.077 | 31.857 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | PRO | 0 | -0.064 | -0.020 | 37.096 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | LYS | 1 | 0.899 | 0.955 | 39.527 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | VAL | 0 | -0.021 | -0.027 | 35.636 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | LEU | 0 | 0.046 | 0.015 | 38.007 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | LYS | 1 | 0.850 | 0.906 | 34.989 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | ILE | 0 | 0.051 | 0.036 | 30.818 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | SER | 0 | -0.090 | -0.046 | 31.275 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | TYR | 0 | 0.048 | 0.011 | 25.653 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | LYS | 1 | 0.997 | 1.017 | 31.142 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | ARG | 1 | 0.966 | 1.000 | 28.839 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | SER | 0 | -0.015 | -0.012 | 29.774 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | SER | 0 | -0.076 | -0.053 | 30.767 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | PHE | 0 | 0.053 | 0.027 | 30.589 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | PHE | 0 | -0.016 | -0.015 | 32.656 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | ILE | 0 | 0.042 | 0.038 | 34.740 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | LYN | 0 | 0.037 | 0.021 | 36.631 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | ILE | 0 | 0.012 | 0.029 | 39.780 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | ARG | 1 | 0.876 | 0.947 | 42.654 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | PRO | 0 | -0.041 | 0.004 | 45.022 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | GLY | 0 | -0.064 | -0.034 | 47.495 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | GLU | -1 | -0.873 | -0.922 | 48.604 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | GLN | 0 | -0.019 | -0.014 | 50.905 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | GLU | -1 | -0.794 | -0.914 | 51.539 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | GLN | 0 | -0.020 | 0.016 | 52.440 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | TYR | 0 | -0.065 | -0.051 | 49.630 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | GLU | -1 | -0.900 | -0.976 | 45.269 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | SER | 0 | -0.008 | -0.001 | 44.590 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | THR | 0 | 0.026 | -0.005 | 39.542 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | ILE | 0 | 0.002 | 0.033 | 39.633 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | GLY | 0 | 0.012 | -0.015 | 37.353 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | PHE | 0 | 0.046 | 0.024 | 34.440 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | LYS | 1 | 0.885 | 0.943 | 32.746 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | LEU | 0 | 0.011 | 0.030 | 27.848 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | PRO | 0 | 0.043 | -0.002 | 27.739 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | SER | 0 | 0.033 | 0.018 | 24.894 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | TYR | 0 | 0.029 | 0.004 | 21.739 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | ARG | 1 | 0.972 | 0.998 | 19.570 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | ALA | 0 | 0.030 | 0.015 | 23.260 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | ALA | 0 | 0.052 | 0.017 | 25.036 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | LYS | 1 | 0.924 | 0.971 | 20.630 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | LYS | 1 | 0.923 | 0.969 | 20.247 | 0.358 | 0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | LEU | 0 | 0.060 | 0.028 | 23.162 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | TRP | 0 | -0.049 | -0.031 | 24.261 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | LYS | 1 | 0.865 | 0.927 | 19.259 | 0.439 | 0.439 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | VAL | 0 | 0.050 | 0.029 | 23.189 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | CYS | 0 | -0.034 | -0.017 | 25.044 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | VAL | 0 | -0.014 | 0.000 | 26.698 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | GLU | -1 | -0.891 | -0.924 | 21.539 | -0.507 | -0.507 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | HIS | 0 | 0.057 | 0.017 | 26.109 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | HIS | 0 | -0.051 | -0.025 | 28.828 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | THR | 0 | -0.060 | -0.053 | 28.027 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | PHE | 0 | -0.022 | 0.001 | 26.460 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | PHE | 0 | 0.008 | 0.013 | 29.153 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | ARG | 1 | 0.976 | 0.993 | 32.762 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |