FMODB ID: 98GR2
Calculation Name: 1IMH-C-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1IMH
Chain ID: C
UniProt ID: O94916
Base Structure: X-ray
Registration Date: 2023-09-21
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 | 281 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3388688.689106 |
---|---|
FMO2-HF: Nuclear repulsion | 3279331.941727 |
FMO2-HF: Total energy | -109356.747379 |
FMO2-MP2: Total energy | -109675.115041 |
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(C:188:LYS)
Summations of interaction energy for
fragment #1(C:188:LYS)
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. |
17.549 | 26.998 | 16.164 | -9.661 | -15.948 | -0.089 |
Interaction energy analysis for fragmet #1(C:188:LYS)
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 | C | 190 | SER | 0 | -0.096 | -0.056 | 2.656 | -4.764 | -1.410 | 0.654 | -1.524 | -2.484 | -0.003 |
4 | C | 191 | PRO | 0 | -0.010 | 0.011 | 3.549 | 3.660 | 4.107 | 0.037 | -0.012 | -0.471 | -0.001 |
5 | C | 192 | MET | 0 | 0.074 | 0.067 | 6.914 | -1.051 | -1.051 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | C | 193 | LEU | 0 | 0.003 | -0.011 | 6.532 | 2.174 | 2.174 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | C | 194 | CYS | 0 | -0.055 | -0.032 | 9.687 | 2.306 | 2.306 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | C | 195 | GLY | 0 | -0.037 | 0.000 | 11.834 | 1.570 | 1.570 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | C | 196 | GLN | 0 | 0.046 | 0.023 | 13.206 | -0.302 | -0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | C | 197 | TYR | 0 | -0.018 | -0.019 | 9.799 | -0.436 | -0.436 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | C | 198 | PRO | 0 | -0.018 | 0.009 | 13.670 | 0.528 | 0.528 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | C | 199 | VAL | 0 | 0.073 | 0.040 | 14.092 | -0.933 | -0.933 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | C | 200 | LYS | 1 | 0.993 | 0.966 | 15.314 | 11.544 | 11.544 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | C | 201 | SER | 0 | -0.032 | -0.038 | 15.437 | 0.403 | 0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | C | 202 | GLU | -1 | -0.805 | -0.888 | 15.060 | -16.294 | -16.294 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | C | 203 | GLY | 0 | -0.008 | 0.006 | 17.585 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | C | 204 | LYS | 1 | 0.828 | 0.914 | 13.158 | 15.781 | 15.781 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | C | 205 | GLU | -1 | -0.886 | -0.948 | 16.415 | -12.943 | -12.943 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | C | 206 | LEU | 0 | -0.023 | 0.020 | 10.870 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | C | 207 | LYS | 1 | 0.899 | 0.948 | 14.887 | 12.409 | 12.409 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | C | 208 | ILE | 0 | -0.018 | -0.008 | 16.697 | -0.315 | -0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | C | 209 | VAL | 0 | -0.022 | -0.006 | 18.659 | 0.562 | 0.562 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | C | 210 | VAL | 0 | 0.000 | 0.004 | 20.607 | 0.565 | 0.565 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | C | 211 | GLN | 0 | 0.043 | 0.020 | 20.582 | -0.814 | -0.814 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | C | 212 | PRO | 0 | 0.011 | 0.019 | 19.828 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | C | 213 | GLU | -1 | -0.745 | -0.877 | 21.953 | -11.890 | -11.890 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | C | 214 | THR | 0 | -0.003 | -0.014 | 24.457 | -0.327 | -0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | C | 215 | GLN | 0 | -0.061 | -0.052 | 26.377 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | C | 216 | HIS | 0 | -0.017 | 0.006 | 22.154 | -0.312 | -0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | C | 217 | ARG | 1 | 0.887 | 0.965 | 24.521 | 10.389 | 10.389 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | C | 218 | ALA | 0 | 0.010 | 0.009 | 22.257 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | C | 219 | ARG | 1 | 0.857 | 0.971 | 18.894 | 15.480 | 15.480 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | C | 220 | TYR | 0 | 0.034 | 0.009 | 22.470 | -0.513 | -0.513 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | C | 221 | LEU | 0 | 0.047 | 0.006 | 19.514 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | C | 222 | THR | 0 | 0.000 | -0.008 | 22.466 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | C | 223 | GLU | -1 | -0.807 | -0.865 | 25.083 | -11.053 | -11.053 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | C | 224 | GLY | 0 | 0.044 | 0.019 | 24.311 | -0.526 | -0.526 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | C | 225 | SER | 0 | 0.000 | -0.017 | 21.150 | -0.319 | -0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | C | 226 | ARG | 1 | 0.864 | 0.873 | 22.278 | 11.933 | 11.933 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | C | 227 | GLY | 0 | -0.005 | 0.016 | 22.503 | 0.331 | 0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | C | 228 | SER | 0 | 0.013 | 0.005 | 19.510 | -0.623 | -0.623 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | C | 229 | VAL | 0 | -0.071 | -0.024 | 19.018 | 0.665 | 0.665 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | C | 230 | LYS | 1 | 0.994 | 1.004 | 20.664 | 11.575 | 11.575 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | C | 231 | ASP | -1 | -0.730 | -0.795 | 22.638 | -11.659 | -11.659 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | C | 232 | ARG | 1 | 0.912 | 0.931 | 24.283 | 11.388 | 11.388 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | C | 233 | THR | 0 | -0.056 | -0.076 | 27.579 | 0.307 | 0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | C | 234 | GLN | 0 | -0.112 | -0.061 | 27.660 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | C | 235 | GLN | 0 | 0.042 | 0.015 | 28.504 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | C | 236 | GLY | 0 | -0.011 | 0.001 | 24.989 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | C | 237 | PHE | 0 | -0.032 | -0.017 | 19.847 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | C | 238 | PRO | 0 | -0.018 | 0.009 | 17.723 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | C | 239 | THR | 0 | -0.012 | -0.008 | 17.974 | -0.439 | -0.439 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | C | 240 | VAL | 0 | -0.035 | 0.000 | 13.078 | 0.400 | 0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | C | 241 | LYS | 1 | 0.910 | 0.960 | 16.107 | 12.954 | 12.954 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | C | 242 | LEU | 0 | -0.046 | -0.019 | 11.018 | -0.372 | -0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | C | 243 | GLU | -1 | -0.849 | -0.925 | 15.148 | -11.962 | -11.962 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | C | 244 | GLY | 0 | 0.043 | 0.009 | 16.745 | -0.374 | -0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | C | 245 | HIS | 0 | 0.026 | -0.011 | 11.654 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | C | 246 | ASN | 0 | -0.025 | -0.009 | 15.821 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | C | 247 | GLU | -1 | -0.857 | -0.902 | 12.633 | -15.056 | -15.056 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | C | 248 | PRO | 0 | 0.038 | 0.021 | 10.732 | -0.387 | -0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | C | 249 | VAL | 0 | -0.029 | -0.018 | 6.549 | -0.869 | -0.869 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | C | 250 | VAL | 0 | -0.017 | -0.008 | 2.682 | -0.221 | 0.556 | 0.161 | -0.234 | -0.703 | 0.000 |
64 | C | 251 | LEU | 0 | -0.015 | -0.004 | 5.770 | -0.296 | -0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | C | 252 | GLN | 0 | -0.041 | -0.023 | 2.021 | 5.648 | 1.916 | 8.940 | -1.841 | -3.367 | -0.007 |
66 | C | 253 | VAL | 0 | 0.043 | 0.011 | 6.222 | 3.273 | 3.273 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | C | 254 | PHE | 0 | 0.041 | 0.018 | 8.449 | -1.935 | -1.935 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | C | 255 | VAL | 0 | 0.045 | 0.039 | 10.806 | 1.514 | 1.514 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | C | 256 | GLY | 0 | 0.040 | 0.017 | 14.348 | -0.690 | -0.690 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | C | 257 | ASN | 0 | -0.046 | -0.041 | 15.631 | 0.840 | 0.840 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | C | 258 | ASP | -1 | -0.814 | -0.923 | 19.167 | -12.927 | -12.927 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | C | 259 | SER | 0 | -0.034 | -0.011 | 21.900 | 0.367 | 0.367 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | C | 260 | GLY | 0 | 0.032 | 0.028 | 21.968 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | C | 261 | ARG | 1 | 0.863 | 0.909 | 17.822 | 14.749 | 14.749 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | C | 262 | VAL | 0 | 0.042 | 0.012 | 13.496 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | C | 263 | LYS | 1 | 0.950 | 0.980 | 14.970 | 14.842 | 14.842 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | C | 264 | PRO | 0 | 0.043 | 0.046 | 12.092 | 1.012 | 1.012 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | C | 265 | HIS | 0 | -0.046 | -0.024 | 14.180 | 0.684 | 0.684 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | C | 266 | GLY | 0 | 0.029 | 0.018 | 16.604 | -0.690 | -0.690 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | C | 267 | PHE | 0 | -0.053 | -0.041 | 19.034 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | C | 268 | TYR | 0 | -0.001 | 0.000 | 18.334 | 0.805 | 0.805 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | C | 269 | GLN | 0 | 0.080 | 0.063 | 12.860 | -1.765 | -1.765 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | C | 270 | ALA | 0 | 0.002 | 0.005 | 11.719 | 1.200 | 1.200 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | C | 271 | CYS | 0 | 0.007 | 0.007 | 12.980 | -0.370 | -0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | C | 272 | ARG | 1 | 0.964 | 1.001 | 11.933 | 23.145 | 23.145 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | C | 273 | VAL | 0 | -0.065 | -0.031 | 13.961 | 1.053 | 1.053 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | C | 274 | THR | 0 | -0.051 | -0.024 | 16.476 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | C | 275 | GLY | 0 | 0.082 | 0.022 | 18.602 | 0.684 | 0.684 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | C | 276 | ARG | 1 | 0.934 | 0.968 | 21.172 | 12.059 | 12.059 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | C | 277 | ASN | 0 | -0.013 | -0.008 | 22.443 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | C | 278 | THR | 0 | -0.003 | 0.015 | 18.661 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | C | 279 | THR | 0 | -0.010 | -0.011 | 14.163 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | C | 280 | PRO | 0 | -0.052 | -0.011 | 13.769 | -0.711 | -0.711 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | C | 281 | CYS | 0 | -0.016 | -0.039 | 10.199 | -0.483 | -0.483 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | C | 282 | LYS | 1 | 0.904 | 0.959 | 5.125 | 44.999 | 44.999 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | C | 283 | GLU | -1 | -0.828 | -0.935 | 7.815 | -25.182 | -25.182 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | C | 284 | VAL | 0 | -0.054 | -0.010 | 2.345 | -3.787 | -3.147 | 1.642 | -0.546 | -1.736 | -0.007 |
98 | C | 285 | ASP | -1 | -0.867 | -0.934 | 5.081 | -30.427 | -30.365 | -0.001 | -0.003 | -0.058 | 0.000 |
99 | C | 286 | ILE | 0 | -0.013 | -0.025 | 2.759 | -10.393 | -9.470 | 0.196 | -0.269 | -0.850 | -0.003 |
100 | C | 287 | GLU | -1 | -0.840 | -0.922 | 6.058 | -25.618 | -25.618 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | C | 288 | GLY | 0 | -0.016 | 0.006 | 8.982 | 3.436 | 3.436 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | C | 289 | THR | 0 | -0.083 | -0.038 | 9.307 | 2.991 | 2.991 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | C | 290 | THR | 0 | 0.026 | -0.005 | 8.708 | -3.265 | -3.265 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | C | 291 | VAL | 0 | -0.062 | -0.041 | 4.938 | 1.947 | 1.947 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | C | 292 | ILE | 0 | -0.004 | -0.008 | 6.591 | -2.771 | -2.771 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | C | 293 | GLU | -1 | -0.913 | -0.970 | 2.277 | -90.870 | -85.090 | 4.295 | -4.727 | -5.347 | -0.064 |
107 | C | 294 | VAL | 0 | 0.040 | 0.017 | 6.632 | 2.076 | 2.076 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | C | 295 | GLY | 0 | 0.020 | -0.002 | 7.912 | -2.204 | -2.204 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | C | 296 | LEU | 0 | -0.029 | 0.004 | 9.732 | 1.571 | 1.571 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | C | 297 | ASP | -1 | -0.723 | -0.849 | 11.488 | -17.243 | -17.243 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | C | 298 | PRO | 0 | 0.031 | 0.027 | 14.171 | 0.622 | 0.622 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | C | 299 | SER | 0 | -0.073 | -0.061 | 17.033 | 0.843 | 0.843 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | C | 300 | ASN | 0 | -0.039 | -0.024 | 17.918 | 0.879 | 0.879 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | C | 301 | ASN | 0 | -0.022 | -0.016 | 19.537 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | C | 302 | MET | 0 | -0.019 | -0.008 | 12.281 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | C | 303 | THR | 0 | -0.036 | -0.034 | 16.324 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | C | 304 | LEU | 0 | 0.007 | 0.006 | 13.146 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | C | 305 | ALA | 0 | 0.031 | -0.007 | 16.391 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | C | 306 | VAL | 0 | -0.026 | -0.025 | 13.512 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | C | 307 | ASP | -1 | -0.756 | -0.864 | 15.953 | -15.483 | -15.483 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | C | 308 | CYS | 0 | -0.028 | 0.004 | 13.631 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | C | 309 | VAL | 0 | 0.005 | -0.006 | 12.920 | -1.246 | -1.246 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | C | 310 | GLY | 0 | 0.044 | 0.020 | 15.689 | 1.297 | 1.297 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | C | 311 | ILE | 0 | -0.017 | -0.016 | 16.317 | -1.164 | -1.164 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | C | 312 | LEU | 0 | -0.014 | -0.007 | 16.987 | 1.011 | 1.011 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | C | 313 | LYS | 1 | 0.848 | 0.931 | 18.932 | 12.537 | 12.537 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | C | 314 | LEU | 0 | 0.013 | 0.003 | 17.657 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | C | 315 | ARG | 1 | 0.844 | 0.890 | 21.438 | 12.528 | 12.528 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | C | 316 | ASN | 0 | 0.029 | -0.002 | 24.635 | -0.533 | -0.533 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | C | 317 | ALA | 0 | 0.061 | 0.047 | 25.991 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | C | 318 | ASP | -1 | -0.799 | -0.875 | 23.103 | -12.819 | -12.819 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | C | 319 | VAL | 0 | -0.053 | -0.028 | 21.130 | -0.363 | -0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | C | 320 | GLU | -1 | -0.962 | -1.011 | 23.117 | -10.724 | -10.724 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | C | 321 | ALA | 0 | -0.028 | 0.002 | 26.127 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | C | 322 | ARG | 1 | 0.961 | 0.991 | 14.738 | 18.455 | 18.455 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | C | 323 | ILE | 0 | -0.050 | -0.028 | 19.161 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | C | 324 | GLY | 0 | 0.135 | 0.067 | 23.110 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | C | 325 | ILE | 0 | -0.095 | -0.049 | 24.068 | 0.328 | 0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | C | 326 | ALA | 0 | -0.035 | -0.017 | 23.697 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | C | 327 | GLY | 0 | 0.087 | 0.017 | 25.826 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | C | 328 | SER | 0 | -0.021 | -0.007 | 29.110 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | C | 329 | LYS | 1 | 0.945 | 0.992 | 28.510 | 10.046 | 10.046 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | C | 330 | LYS | 1 | 0.945 | 0.952 | 21.612 | 13.524 | 13.524 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | C | 331 | LYS | 1 | 1.002 | 1.039 | 26.423 | 9.972 | 9.972 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | C | 332 | SER | 0 | -0.020 | -0.007 | 23.713 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | C | 333 | THR | 0 | 0.022 | -0.006 | 24.643 | -0.353 | -0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | C | 334 | ARG | 1 | 0.972 | 0.996 | 24.149 | 10.798 | 10.798 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | C | 335 | ALA | 0 | -0.002 | -0.007 | 18.707 | -0.303 | -0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | C | 336 | ARG | 1 | 0.866 | 0.951 | 17.931 | 15.532 | 15.532 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | C | 337 | LEU | 0 | 0.028 | 0.026 | 15.077 | -0.979 | -0.979 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | C | 338 | VAL | 0 | -0.042 | -0.030 | 10.898 | 0.918 | 0.918 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | C | 339 | PHE | 0 | 0.049 | 0.033 | 10.566 | -1.900 | -1.900 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | C | 340 | ARG | 1 | 0.852 | 0.899 | 4.361 | 35.928 | 36.020 | -0.001 | -0.006 | -0.084 | 0.000 |
154 | C | 341 | VAL | 0 | 0.030 | 0.030 | 6.641 | -2.594 | -2.594 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | C | 342 | ASN | 0 | -0.044 | -0.035 | 2.875 | 0.690 | 1.705 | 0.242 | -0.494 | -0.763 | -0.004 |
156 | C | 343 | ILE | 0 | 0.043 | 0.032 | 4.744 | -0.788 | -0.697 | -0.001 | -0.005 | -0.085 | 0.000 |
157 | C | 344 | MET | 0 | 0.029 | 0.016 | 7.238 | -0.995 | -0.995 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | C | 345 | ARG | 1 | 0.785 | 0.857 | 8.677 | 18.628 | 18.628 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | C | 346 | LYS | 1 | 0.904 | 0.953 | 12.439 | 15.660 | 15.660 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | C | 347 | ASP | -1 | -0.773 | -0.883 | 15.148 | -16.243 | -16.243 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | C | 348 | GLY | 0 | 0.036 | 0.010 | 12.120 | -0.696 | -0.696 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | C | 349 | SER | 0 | -0.067 | 0.001 | 10.792 | -1.837 | -1.837 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | C | 350 | THR | 0 | 0.016 | -0.022 | 6.286 | -1.366 | -1.366 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | C | 351 | LEU | 0 | -0.071 | -0.003 | 8.893 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | C | 352 | THR | 0 | -0.037 | -0.032 | 7.185 | -0.995 | -0.995 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | C | 353 | LEU | 0 | -0.025 | 0.010 | 9.235 | 1.028 | 1.028 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | C | 354 | GLN | 0 | 0.039 | -0.015 | 9.928 | -3.249 | -3.249 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | C | 355 | THR | 0 | -0.042 | -0.012 | 11.669 | 1.361 | 1.361 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | C | 356 | PRO | 0 | -0.008 | -0.002 | 14.370 | -0.635 | -0.635 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | C | 357 | SER | 0 | 0.045 | 0.020 | 16.125 | 0.496 | 0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | C | 358 | SER | 0 | -0.055 | -0.037 | 18.894 | 0.362 | 0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | C | 359 | PRO | 0 | -0.038 | -0.031 | 21.539 | -0.460 | -0.460 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | C | 360 | ILE | 0 | 0.002 | 0.024 | 20.092 | 0.372 | 0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | C | 361 | LEU | 0 | -0.068 | -0.041 | 23.694 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | C | 362 | CYS | 0 | 0.023 | -0.007 | 22.220 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | C | 363 | THR | 0 | -0.005 | 0.004 | 24.840 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | C | 364 | GLN | 0 | 0.027 | 0.001 | 28.151 | -0.363 | -0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | C | 365 | PRO | 0 | 0.003 | -0.007 | 29.834 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | C | 366 | ALA | 0 | 0.005 | 0.000 | 32.869 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | C | 367 | GLY | 0 | 0.011 | 0.029 | 36.604 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | C | 368 | VAL | 0 | 0.003 | -0.007 | 38.259 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | C | 369 | PRO | 0 | -0.026 | -0.004 | 41.240 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | C | 370 | GLU | -1 | -0.886 | -0.961 | 44.630 | -6.925 | -6.925 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | C | 371 | ILE | 0 | 0.000 | 0.008 | 47.444 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | C | 372 | LEU | 0 | -0.004 | -0.001 | 48.788 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | C | 373 | LYS | 1 | 0.928 | 0.953 | 52.421 | 5.529 | 5.529 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | C | 374 | LYS | 1 | 0.908 | 0.971 | 56.043 | 5.391 | 5.391 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | C | 375 | SER | 0 | -0.025 | -0.016 | 58.454 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | C | 376 | LEU | 0 | 0.029 | 0.040 | 61.808 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | C | 377 | HIS | 0 | -0.030 | -0.036 | 61.303 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | C | 378 | SER | 0 | -0.017 | -0.005 | 63.934 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | C | 379 | CYS | 0 | 0.067 | 0.056 | 66.606 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | C | 380 | SER | 0 | 0.028 | 0.037 | 68.373 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | C | 381 | VAL | 0 | 0.041 | 0.014 | 69.077 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | C | 382 | LYS | 1 | 0.951 | 0.986 | 68.746 | 4.273 | 4.273 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | C | 383 | GLY | 0 | -0.044 | -0.023 | 66.671 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | C | 384 | GLU | -1 | -0.906 | -0.976 | 65.747 | -4.812 | -4.812 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | C | 385 | GLU | -1 | -0.986 | -0.977 | 66.387 | -4.678 | -4.678 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | C | 386 | GLU | -1 | -0.929 | -0.965 | 62.087 | -5.137 | -5.137 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | C | 387 | VAL | 0 | -0.034 | -0.030 | 59.092 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | C | 388 | PHE | 0 | -0.005 | -0.002 | 58.217 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | C | 389 | LEU | 0 | -0.010 | -0.005 | 53.761 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | C | 390 | ILE | 0 | 0.009 | 0.011 | 52.154 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | C | 391 | GLY | 0 | 0.010 | -0.035 | 49.950 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | C | 392 | LYS | 1 | 0.893 | 0.956 | 43.879 | 7.045 | 7.045 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | C | 393 | ASN | 0 | 0.001 | 0.007 | 40.553 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | C | 394 | PHE | 0 | -0.005 | 0.009 | 43.633 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | C | 395 | LEU | 0 | -0.018 | -0.025 | 40.100 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | C | 396 | LYS | 1 | 0.976 | 0.967 | 42.611 | 7.060 | 7.060 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | C | 397 | GLY | 0 | -0.013 | -0.007 | 43.300 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | C | 398 | THR | 0 | -0.081 | -0.031 | 44.838 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | C | 399 | LYS | 1 | 0.953 | 0.983 | 46.931 | 6.462 | 6.462 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | C | 400 | VAL | 0 | 0.067 | 0.042 | 50.133 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | C | 401 | ILE | 0 | -0.061 | -0.013 | 51.650 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | C | 402 | PHE | 0 | 0.066 | 0.023 | 54.300 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | C | 403 | GLN | 0 | -0.071 | -0.072 | 53.829 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | C | 404 | GLU | -1 | -0.832 | -0.893 | 57.858 | -4.980 | -4.980 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | C | 405 | ASN | 0 | 0.027 | -0.001 | 58.141 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | C | 406 | VAL | 0 | -0.007 | 0.014 | 52.183 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | C | 407 | SER | 0 | 0.003 | 0.007 | 53.818 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | C | 408 | ASP | -1 | -0.953 | -0.983 | 49.631 | -6.257 | -6.257 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | C | 409 | GLU | -1 | -0.886 | -0.951 | 51.310 | -6.091 | -6.091 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | C | 410 | ASN | 0 | -0.085 | -0.054 | 53.649 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | C | 411 | SER | 0 | -0.026 | -0.024 | 56.588 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | C | 412 | TRP | 0 | 0.066 | 0.056 | 59.048 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | C | 413 | LYS | 1 | 0.902 | 0.944 | 51.629 | 5.971 | 5.971 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | C | 414 | SER | 0 | -0.001 | -0.003 | 57.015 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | C | 415 | GLU | -1 | -0.899 | -0.960 | 52.325 | -6.109 | -6.109 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | C | 416 | ALA | 0 | -0.025 | 0.007 | 55.805 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | C | 417 | GLU | -1 | -0.910 | -0.963 | 56.005 | -5.434 | -5.434 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | C | 418 | ILE | 0 | -0.061 | -0.036 | 51.684 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | C | 419 | ASP | -1 | -0.821 | -0.900 | 55.679 | -5.557 | -5.557 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | C | 420 | MET | 0 | -0.058 | -0.051 | 50.408 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | C | 421 | GLU | -1 | -0.985 | -0.981 | 53.461 | -5.542 | -5.542 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | C | 422 | LEU | 0 | 0.000 | -0.003 | 54.589 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | C | 423 | PHE | 0 | -0.072 | -0.016 | 47.064 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | C | 424 | HIS | 0 | 0.041 | 0.028 | 47.427 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | C | 425 | GLN | 0 | -0.049 | -0.013 | 41.316 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | C | 426 | ASN | 0 | -0.058 | -0.060 | 45.609 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | C | 427 | HIS | 0 | 0.005 | 0.004 | 48.533 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | C | 428 | LEU | 0 | -0.032 | -0.014 | 50.253 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | C | 429 | ILE | 0 | 0.086 | 0.051 | 53.692 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | C | 430 | VAL | 0 | 0.022 | 0.009 | 55.320 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | C | 431 | LYS | 1 | 0.974 | 0.997 | 58.113 | 5.148 | 5.148 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | C | 432 | VAL | 0 | -0.044 | -0.024 | 60.747 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | C | 433 | PRO | 0 | 0.013 | 0.023 | 59.844 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | C | 434 | PRO | 0 | 0.041 | 0.050 | 62.690 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | C | 435 | TYR | 0 | 0.008 | -0.002 | 64.110 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | C | 436 | HIS | 1 | 0.837 | 0.909 | 63.871 | 4.895 | 4.895 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | C | 437 | ASP | -1 | -0.916 | -0.965 | 66.606 | -4.422 | -4.422 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | C | 438 | GLN | 0 | 0.014 | -0.024 | 69.987 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | C | 439 | HIS | 0 | -0.040 | -0.006 | 72.365 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | C | 440 | ILE | 0 | -0.008 | 0.029 | 70.252 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | C | 441 | THR | 0 | -0.016 | -0.019 | 73.622 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | C | 442 | LEU | 0 | -0.019 | -0.027 | 73.539 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | C | 443 | PRO | 0 | 0.012 | -0.008 | 70.994 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | C | 444 | VAL | 0 | 0.002 | 0.028 | 65.435 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | C | 445 | SER | 0 | -0.053 | -0.017 | 63.738 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | C | 446 | VAL | 0 | 0.010 | -0.002 | 61.070 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | C | 447 | GLY | 0 | -0.005 | -0.001 | 57.404 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | C | 448 | ILE | 0 | -0.015 | 0.003 | 54.725 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | C | 449 | TYR | 0 | -0.033 | -0.015 | 49.429 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | C | 450 | VAL | 0 | 0.048 | 0.014 | 48.243 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | C | 451 | VAL | 0 | 0.003 | 0.013 | 46.307 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | C | 452 | THR | 0 | 0.037 | 0.021 | 41.517 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | C | 453 | ASN | 0 | -0.021 | -0.014 | 39.235 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | C | 454 | ALA | 0 | -0.019 | -0.020 | 37.875 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | C | 455 | GLY | 0 | -0.025 | -0.022 | 39.113 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | C | 456 | ARG | 1 | 0.954 | 0.976 | 41.784 | 6.810 | 6.810 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | C | 457 | SER | 0 | 0.010 | 0.024 | 45.156 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | C | 458 | HIS | 0 | -0.015 | -0.007 | 45.177 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | C | 459 | ASP | -1 | -0.918 | -0.943 | 47.331 | -6.421 | -6.421 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | C | 460 | VAL | 0 | 0.012 | 0.009 | 50.336 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | C | 461 | GLN | 0 | -0.020 | -0.010 | 53.495 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | C | 462 | PRO | 0 | 0.013 | 0.004 | 56.473 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | C | 463 | PHE | 0 | 0.001 | -0.012 | 60.086 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | C | 464 | THR | 0 | -0.018 | -0.008 | 62.490 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | C | 465 | TYR | 0 | 0.002 | -0.029 | 63.021 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | C | 466 | THR | 0 | -0.038 | -0.035 | 67.800 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | C | 467 | PRO | 0 | 0.019 | -0.012 | 71.572 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | C | 468 | ASP | -1 | -0.946 | -0.950 | 74.469 | -4.210 | -4.210 | 0.000 | 0.000 | 0.000 | 0.000 |