![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: V5YM1
Calculation Name: 6EHR-G-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 6EHR
Chain ID: G
UniProt ID: Q6IAA8
Base Structure: X-ray
Registration Date: 2023-06-22
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 | 135 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -1198508.572244 |
---|---|
FMO2-HF: Nuclear repulsion | 1144244.254012 |
FMO2-HF: Total energy | -54264.318232 |
FMO2-MP2: Total energy | -54418.966899 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F027529/ligand_interaction/ligand_F027529.png)
Ligand Interaction
![ligand interaction](./Kdata/F027529/ligand_interaction/ligand_interaction_F027529.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(G:238:GLY)
Summations of interaction energy for
fragment #1(G:238:GLY)
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. |
-4.516 | 0.404 | 2.754 | -3.393 | -4.281 | -0.015 |
Interaction energy analysis for fragmet #1(G:238:GLY)
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 | G | 240 | LEU | 0 | 0.042 | 0.036 | 3.853 | 1.058 | 2.237 | -0.012 | -0.537 | -0.630 | 0.000 |
4 | G | 241 | PRO | 0 | 0.112 | 0.055 | 6.282 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | G | 242 | THR | 0 | -0.023 | -0.008 | 5.762 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | G | 243 | LEU | 0 | 0.007 | 0.012 | 3.684 | -0.844 | -0.246 | 0.027 | -0.304 | -0.322 | 0.002 |
7 | G | 244 | GLU | -1 | -0.864 | -0.940 | 7.826 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | G | 245 | ASN | 0 | -0.086 | -0.039 | 10.799 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | G | 246 | LEU | 0 | -0.008 | -0.001 | 8.115 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | G | 247 | LEU | 0 | 0.007 | 0.014 | 11.292 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | G | 248 | ASN | 0 | 0.017 | 0.001 | 13.723 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | G | 249 | ILE | 0 | -0.037 | -0.014 | 13.839 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | G | 250 | PHE | 0 | -0.003 | -0.001 | 15.751 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | G | 251 | ILE | 0 | 0.018 | 0.009 | 17.433 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | G | 252 | SER | 0 | -0.029 | -0.016 | 19.661 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | G | 253 | ASN | 0 | -0.075 | -0.035 | 20.448 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | G | 254 | SER | 0 | -0.002 | -0.010 | 20.591 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | G | 255 | GLY | 0 | -0.023 | -0.004 | 23.399 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | G | 256 | ILE | 0 | -0.029 | -0.015 | 20.521 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | G | 257 | GLU | -1 | -0.875 | -0.960 | 23.094 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | G | 258 | LYS | 1 | 0.792 | 0.899 | 17.996 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | G | 259 | ALA | 0 | 0.012 | 0.001 | 16.257 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | G | 260 | PHE | 0 | 0.010 | 0.013 | 14.522 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | G | 261 | LEU | 0 | 0.002 | 0.000 | 7.349 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | G | 262 | PHE | 0 | 0.035 | 0.001 | 10.925 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | G | 263 | ASP | -1 | -0.812 | -0.880 | 11.406 | 0.378 | 0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | G | 264 | VAL | 0 | -0.023 | -0.008 | 12.693 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | G | 265 | VAL | 0 | -0.051 | -0.019 | 15.091 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | G | 266 | SER | 0 | -0.074 | -0.068 | 14.637 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | G | 267 | LYS | 1 | 0.883 | 0.928 | 16.939 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | G | 268 | ILE | 0 | 0.006 | 0.027 | 11.225 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | G | 269 | TYR | 0 | 0.011 | 0.001 | 12.036 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | G | 270 | ILE | 0 | -0.038 | -0.012 | 5.495 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | G | 271 | ALA | 0 | 0.022 | 0.004 | 8.431 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | G | 272 | THR | 0 | -0.023 | -0.026 | 10.334 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | G | 273 | ASP | -1 | -0.763 | -0.850 | 13.663 | 0.361 | 0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | G | 274 | SER | 0 | -0.026 | -0.043 | 16.132 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | G | 275 | SER | 0 | -0.049 | -0.025 | 18.312 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | G | 276 | PRO | 0 | 0.002 | -0.002 | 19.810 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | G | 277 | VAL | 0 | 0.010 | -0.002 | 18.442 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | G | 278 | ASP | -1 | -0.811 | -0.880 | 21.810 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | G | 279 | MET | 0 | -0.021 | -0.001 | 23.616 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | G | 280 | GLN | 0 | 0.029 | 0.006 | 24.466 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | G | 281 | SER | 0 | 0.000 | -0.032 | 23.739 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | G | 282 | TYR | 0 | -0.055 | -0.044 | 17.601 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | G | 283 | GLU | -1 | -0.916 | -0.956 | 21.659 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | G | 284 | LEU | 0 | 0.021 | 0.012 | 24.217 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | G | 285 | CYS | 0 | -0.072 | -0.040 | 20.013 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | G | 286 | CYS | 0 | -0.047 | -0.025 | 20.845 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | G | 287 | ASP | -1 | -0.867 | -0.924 | 22.009 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | G | 288 | MET | 0 | -0.103 | -0.040 | 22.709 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | G | 289 | ILE | 0 | -0.013 | -0.014 | 17.649 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | G | 290 | ASP | -1 | -0.796 | -0.893 | 21.423 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | G | 291 | VAL | 0 | 0.003 | 0.008 | 23.937 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | G | 292 | VAL | 0 | -0.009 | -0.006 | 22.579 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | G | 293 | ILE | 0 | -0.001 | 0.015 | 19.656 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | G | 294 | ASP | -1 | -0.856 | -0.923 | 23.751 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | G | 295 | VAL | 0 | -0.053 | -0.031 | 27.459 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | G | 296 | SER | 0 | -0.049 | -0.045 | 24.478 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | G | 297 | CYS | 0 | -0.101 | -0.064 | 25.435 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | G | 298 | ILE | 0 | -0.057 | -0.010 | 27.832 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | G | 299 | TYR | 0 | -0.035 | -0.031 | 30.234 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | G | 300 | GLY | 0 | -0.004 | 0.015 | 26.907 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | G | 301 | LEU | 0 | -0.065 | -0.019 | 26.429 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | G | 302 | LYS | 1 | 0.940 | 0.965 | 26.084 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | G | 303 | GLU | -1 | -0.892 | -0.950 | 30.851 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | G | 304 | ASP | -1 | -0.891 | -0.931 | 33.457 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | G | 305 | GLY | 0 | -0.083 | -0.040 | 33.410 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | G | 306 | SER | 0 | -0.102 | -0.069 | 27.775 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | G | 307 | GLY | 0 | 0.043 | 0.011 | 26.968 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | G | 308 | SER | 0 | -0.113 | -0.053 | 21.480 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | G | 309 | ALA | 0 | 0.090 | 0.051 | 22.580 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | G | 310 | TYR | 0 | -0.028 | -0.016 | 14.253 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | G | 311 | ASP | -1 | -0.861 | -0.927 | 18.332 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | G | 312 | LYS | 1 | 0.946 | 0.950 | 14.801 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | G | 313 | GLU | -1 | -0.878 | -0.926 | 17.801 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | G | 314 | SER | 0 | -0.038 | 0.009 | 19.107 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | G | 315 | MET | 0 | -0.034 | -0.026 | 19.356 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | G | 316 | ALA | 0 | 0.011 | 0.011 | 21.762 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | G | 317 | ILE | 0 | -0.015 | -0.019 | 23.513 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | G | 318 | ILE | 0 | 0.015 | 0.018 | 26.249 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | G | 319 | LYS | 1 | 0.805 | 0.891 | 28.382 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | G | 320 | LEU | 0 | 0.035 | 0.010 | 29.087 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | G | 321 | ASN | 0 | 0.039 | 0.006 | 32.865 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | G | 322 | ASN | 0 | -0.049 | -0.022 | 35.148 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | G | 323 | THR | 0 | -0.005 | 0.001 | 34.495 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | G | 324 | THR | 0 | -0.032 | 0.002 | 28.620 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | G | 325 | VAL | 0 | -0.008 | -0.004 | 26.600 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | G | 326 | LEU | 0 | 0.043 | 0.024 | 24.269 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | G | 327 | TYR | 0 | -0.054 | -0.057 | 19.255 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | G | 328 | LEU | 0 | 0.042 | 0.018 | 18.661 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | G | 329 | LYS | 1 | 0.877 | 0.934 | 17.460 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | G | 330 | GLU | -1 | -0.783 | -0.871 | 14.117 | 0.503 | 0.503 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | G | 331 | VAL | 0 | -0.032 | -0.022 | 9.206 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | G | 332 | THR | 0 | 0.012 | 0.000 | 7.926 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | G | 333 | LYS | 1 | 0.962 | 0.983 | 11.222 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | G | 334 | PHE | 0 | 0.005 | -0.006 | 9.921 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | G | 335 | LEU | 0 | 0.016 | 0.019 | 6.545 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | G | 336 | ALA | 0 | 0.056 | 0.033 | 11.199 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | G | 337 | LEU | 0 | -0.054 | -0.013 | 13.580 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | G | 338 | VAL | 0 | 0.004 | -0.006 | 14.728 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | G | 339 | CYS | 0 | -0.062 | -0.020 | 17.803 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | G | 340 | ILE | 0 | 0.049 | 0.022 | 20.195 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | G | 341 | LEU | 0 | -0.039 | -0.012 | 23.623 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | G | 342 | ARG | 1 | 0.893 | 0.930 | 26.178 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | G | 343 | GLU | -1 | -0.763 | -0.882 | 29.671 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | G | 344 | GLU | -1 | -0.844 | -0.898 | 31.979 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | G | 345 | SER | 0 | -0.055 | -0.029 | 27.589 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | G | 346 | PHE | 0 | 0.004 | -0.001 | 25.326 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | G | 347 | GLU | -1 | -0.899 | -0.945 | 29.099 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | G | 348 | ARG | 1 | 0.888 | 0.942 | 28.092 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | G | 349 | LYS | 1 | 0.901 | 0.949 | 26.239 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | G | 350 | GLY | 0 | 0.000 | 0.001 | 25.867 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | G | 351 | LEU | 0 | -0.012 | -0.014 | 25.513 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | G | 352 | ILE | 0 | 0.042 | 0.039 | 22.056 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | G | 353 | ASP | -1 | -0.770 | -0.867 | 21.297 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | G | 354 | TYR | 0 | -0.033 | -0.004 | 21.086 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | G | 355 | ASN | 0 | 0.007 | -0.015 | 19.539 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | G | 356 | PHE | 0 | 0.030 | 0.013 | 15.331 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | G | 357 | HIS | 0 | -0.024 | -0.006 | 16.210 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | G | 358 | CYS | 0 | -0.064 | -0.036 | 16.010 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | G | 359 | PHE | 0 | 0.011 | 0.005 | 11.900 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | G | 360 | ARG | 1 | 0.755 | 0.860 | 11.597 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | G | 361 | LYS | 1 | 0.802 | 0.883 | 11.271 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | G | 362 | ALA | 0 | 0.018 | 0.010 | 10.492 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | G | 363 | ILE | 0 | 0.017 | 0.002 | 6.310 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | G | 364 | HIS | 0 | -0.082 | -0.038 | 6.321 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | G | 365 | GLU | -1 | -0.794 | -0.878 | 7.373 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | G | 366 | VAL | 0 | -0.049 | -0.034 | 3.103 | -0.588 | -0.295 | 0.058 | -0.128 | -0.222 | 0.000 |
130 | G | 367 | PHE | 0 | -0.062 | -0.047 | 2.124 | -4.683 | -1.905 | 2.683 | -2.404 | -3.057 | -0.017 |
131 | G | 368 | GLU | -1 | -0.936 | -0.950 | 4.114 | -0.326 | -0.282 | -0.001 | -0.011 | -0.032 | 0.000 |
132 | G | 369 | VAL | 0 | -0.039 | -0.012 | 4.363 | -0.211 | -0.183 | -0.001 | -0.009 | -0.018 | 0.000 |
133 | G | 370 | GLY | 0 | 0.013 | 0.010 | 5.319 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | G | 371 | VAL | 0 | 0.007 | 0.027 | 6.449 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | G | 372 | THR | 0 | -0.113 | -0.073 | 8.053 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |