FMODB ID: 393JL
Calculation Name: 3ODW-A-Xray372
Preferred Name: Rho guanine nucleotide exchange factor 1
Target Type: SINGLE PROTEIN
Ligand Name:
ligand 3-letter code:
PDB ID: 3ODW
Chain ID: A
ChEMBL ID: CHEMBL4295918
UniProt ID: Q92888
Base Structure: X-ray
Registration Date: 2023-06-21
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 | OptHSide |
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 | 343 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -5274765.623942 |
---|---|
FMO2-HF: Nuclear repulsion | 5132727.715375 |
FMO2-HF: Total energy | -142037.908567 |
FMO2-MP2: Total energy | -142449.003277 |
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:411:PRO)
Summations of interaction energy for
fragment #1(A:411:PRO)
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. |
2.526 | -2.181 | 1.866 | 7.209 | -4.366 | -0.008 |
Interaction energy analysis for fragmet #1(A:411:PRO)
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 | 413 | SER | 0 | 0.064 | 0.009 | 2.654 | 8.800 | 0.877 | 0.346 | 8.598 | -1.020 | -0.009 |
4 | A | 414 | GLN | 0 | 0.049 | -0.001 | 2.716 | -2.708 | -0.719 | 0.901 | -0.982 | -1.908 | 0.004 |
5 | A | 415 | VAL | 0 | -0.052 | -0.012 | 2.714 | -2.759 | -1.576 | 0.620 | -0.395 | -1.408 | -0.003 |
6 | A | 416 | LYS | 1 | 0.857 | 0.927 | 4.776 | -1.975 | -1.931 | -0.001 | -0.012 | -0.030 | 0.000 |
7 | A | 417 | ARG | 1 | 0.856 | 0.906 | 6.736 | -1.510 | -1.510 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 418 | GLN | 0 | 0.009 | 0.005 | 7.401 | -0.703 | -0.703 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 419 | GLU | -1 | -0.836 | -0.902 | 8.420 | 1.024 | 1.024 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 420 | VAL | 0 | -0.005 | -0.001 | 10.808 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 421 | ILE | 0 | 0.031 | 0.029 | 11.629 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 422 | SER | 0 | -0.057 | -0.048 | 12.496 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 423 | GLU | -1 | -0.954 | -0.970 | 14.889 | 0.399 | 0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 424 | LEU | 0 | 0.002 | 0.026 | 16.625 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 425 | LEU | 0 | 0.041 | 0.020 | 17.843 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 426 | VAL | 0 | 0.001 | 0.001 | 18.345 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 427 | THR | 0 | -0.057 | -0.064 | 20.546 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 428 | GLU | -1 | -0.677 | -0.788 | 22.387 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 429 | ALA | 0 | 0.031 | 0.017 | 23.877 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 430 | ALA | 0 | -0.088 | -0.056 | 25.105 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 431 | HIS | 0 | -0.003 | -0.007 | 26.791 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 432 | VAL | 0 | 0.063 | 0.033 | 28.447 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 433 | ARG | 1 | 0.914 | 0.960 | 26.885 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 434 | MET | 0 | -0.027 | -0.002 | 31.174 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 435 | LEU | 0 | 0.055 | 0.036 | 32.125 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 436 | ARG | 1 | 1.006 | 0.999 | 32.988 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 437 | VAL | 0 | -0.037 | -0.012 | 35.140 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 438 | LEU | 0 | -0.022 | -0.017 | 37.049 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 439 | HIS | 1 | 0.828 | 0.887 | 38.727 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 440 | ASP | -1 | -0.784 | -0.878 | 39.101 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 441 | LEU | 0 | -0.034 | -0.025 | 40.242 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 442 | PHE | 0 | -0.025 | -0.016 | 40.378 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 443 | PHE | 0 | -0.004 | 0.008 | 43.207 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 444 | GLN | 0 | 0.021 | -0.004 | 44.674 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 445 | PRO | 0 | 0.048 | 0.032 | 45.637 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 446 | MET | 0 | -0.051 | -0.023 | 46.569 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 447 | ALA | 0 | -0.016 | -0.007 | 48.978 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 448 | GLU | -1 | -0.891 | -0.939 | 49.413 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 449 | CYS | 0 | -0.096 | -0.034 | 52.227 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 450 | LEU | 0 | 0.007 | 0.000 | 54.228 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 451 | PHE | 0 | -0.034 | -0.006 | 52.273 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 452 | PHE | 0 | -0.015 | -0.015 | 50.233 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 453 | PRO | 0 | 0.042 | 0.036 | 54.347 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 454 | LEU | 0 | 0.066 | 0.019 | 50.125 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 455 | GLU | -1 | -0.881 | -0.955 | 51.305 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 456 | GLU | -1 | -0.885 | -0.953 | 51.100 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 457 | LEU | 0 | 0.002 | 0.019 | 47.700 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 458 | GLN | 0 | -0.008 | -0.014 | 46.825 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 459 | ASN | 0 | -0.113 | -0.070 | 46.397 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 460 | ILE | 0 | -0.025 | -0.007 | 44.939 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 461 | PHE | 0 | 0.009 | -0.004 | 41.414 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 462 | PRO | 0 | 0.006 | 0.017 | 41.618 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 463 | SER | 0 | -0.051 | -0.045 | 40.155 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 464 | LEU | 0 | 0.016 | 0.047 | 37.781 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 465 | ASP | -1 | -0.790 | -0.911 | 38.248 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 466 | GLU | -1 | -0.798 | -0.883 | 37.664 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 467 | LEU | 0 | -0.032 | -0.026 | 33.750 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 468 | ILE | 0 | -0.049 | -0.035 | 33.803 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 469 | GLU | -1 | -0.859 | -0.923 | 33.086 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 470 | VAL | 0 | -0.018 | 0.008 | 31.914 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 471 | HIS | 1 | 0.760 | 0.843 | 27.907 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 472 | SER | 0 | -0.016 | -0.022 | 28.256 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 473 | LEU | 0 | 0.040 | 0.041 | 29.212 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 474 | PHE | 0 | -0.022 | -0.020 | 21.870 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 475 | LEU | 0 | -0.001 | -0.009 | 23.947 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 476 | ASP | -1 | -0.885 | -0.947 | 24.527 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 477 | ARG | 1 | 0.833 | 0.913 | 24.421 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 478 | LEU | 0 | 0.003 | 0.007 | 19.216 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 479 | MET | 0 | -0.025 | -0.002 | 20.192 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 480 | LYS | 1 | 0.853 | 0.919 | 21.228 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 481 | ARG | 1 | 0.790 | 0.846 | 17.547 | -0.337 | -0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 482 | ARG | 1 | 0.846 | 0.919 | 12.647 | -0.567 | -0.567 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 483 | GLN | 0 | -0.038 | -0.032 | 17.235 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 484 | GLU | -1 | -0.848 | -0.885 | 19.308 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 485 | SER | 0 | 0.052 | 0.020 | 14.070 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 486 | GLY | 0 | -0.027 | -0.001 | 13.986 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 487 | TYR | 0 | -0.023 | -0.019 | 11.404 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 488 | LEU | 0 | -0.058 | -0.028 | 6.366 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 489 | ILE | 0 | 0.014 | 0.006 | 10.331 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 490 | GLU | -1 | -0.778 | -0.855 | 10.367 | 1.045 | 1.045 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 491 | GLU | -1 | -0.945 | -0.978 | 12.065 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 492 | ILE | 0 | -0.052 | -0.033 | 14.824 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 493 | GLY | 0 | 0.022 | -0.006 | 17.019 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 494 | ASP | -1 | -0.787 | -0.866 | 18.889 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 495 | VAL | 0 | -0.033 | -0.009 | 20.404 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 496 | LEU | 0 | -0.034 | -0.026 | 17.856 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 497 | LEU | 0 | 0.051 | 0.021 | 22.033 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 498 | ALA | 0 | -0.049 | -0.011 | 24.563 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 499 | ARG | 1 | 0.789 | 0.879 | 25.504 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 500 | PHE | 0 | -0.011 | 0.001 | 23.135 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 501 | ASP | -1 | -0.790 | -0.887 | 27.018 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 502 | GLY | 0 | -0.005 | 0.009 | 28.777 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 503 | ALA | 0 | -0.034 | -0.035 | 32.057 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 504 | GLU | -1 | -0.826 | -0.920 | 30.873 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 505 | GLY | 0 | 0.019 | 0.030 | 30.640 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 506 | SER | 0 | -0.013 | -0.016 | 31.359 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 507 | TRP | 0 | -0.071 | -0.041 | 34.654 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 508 | PHE | 0 | 0.047 | 0.009 | 29.304 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 509 | GLN | 0 | 0.027 | 0.013 | 33.018 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 510 | LYS | 1 | 0.914 | 0.964 | 34.125 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 511 | ILE | 0 | -0.053 | -0.022 | 35.940 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 512 | SER | 0 | 0.004 | -0.022 | 32.666 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 513 | SER | 0 | 0.061 | 0.031 | 35.107 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 514 | ARG | 1 | 0.866 | 0.945 | 37.144 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 515 | PHE | 0 | -0.026 | -0.017 | 36.759 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 516 | CYS | 0 | -0.005 | 0.002 | 35.267 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 517 | SER | 0 | 0.003 | -0.018 | 38.000 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 518 | ARG | 1 | 0.875 | 0.956 | 41.057 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 519 | GLN | 0 | 0.016 | 0.021 | 36.655 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 520 | SER | 0 | 0.007 | -0.040 | 41.299 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 521 | PHE | 0 | 0.025 | 0.017 | 43.849 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 522 | ALA | 0 | 0.038 | 0.012 | 43.310 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 523 | LEU | 0 | -0.004 | 0.007 | 40.625 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 524 | GLU | -1 | -0.955 | -0.979 | 45.133 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 525 | GLN | 0 | -0.017 | -0.015 | 48.522 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 526 | LEU | 0 | -0.022 | -0.008 | 44.854 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 527 | LYS | 1 | 0.996 | 0.996 | 47.486 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 528 | ALA | 0 | -0.045 | -0.025 | 49.668 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 529 | LYS | 1 | 0.850 | 0.929 | 52.318 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 530 | GLN | 0 | -0.022 | -0.005 | 47.326 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 531 | ARG | 1 | 0.903 | 0.948 | 52.329 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 532 | LYS | 1 | 0.923 | 0.968 | 55.059 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 533 | ASP | -1 | -0.816 | -0.905 | 56.328 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 534 | PRO | 0 | 0.053 | 0.026 | 56.015 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 535 | ARG | 1 | 0.908 | 0.954 | 56.066 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 536 | PHE | 0 | 0.012 | -0.008 | 49.087 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 537 | CYS | 0 | -0.025 | -0.001 | 51.546 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 538 | ALA | 0 | 0.044 | 0.024 | 51.085 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 539 | PHE | 0 | -0.003 | 0.004 | 47.642 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 540 | VAL | 0 | 0.025 | 0.010 | 45.888 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 541 | GLN | 0 | -0.046 | -0.039 | 46.495 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 542 | GLU | -1 | -0.828 | -0.880 | 46.741 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 543 | ALA | 0 | 0.060 | 0.040 | 44.516 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 544 | GLU | -1 | -0.798 | -0.912 | 42.158 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 545 | SER | 0 | -0.104 | -0.038 | 41.796 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 546 | ARG | 1 | 0.831 | 0.899 | 41.806 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 547 | PRO | 0 | 0.072 | 0.025 | 37.851 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 548 | ARG | 1 | 0.776 | 0.861 | 36.100 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 549 | CYS | 0 | -0.002 | 0.017 | 35.893 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 550 | ARG | 1 | 0.885 | 0.937 | 28.598 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 551 | ARG | 1 | 0.946 | 0.954 | 34.119 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 552 | LEU | 0 | 0.024 | 0.045 | 32.703 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 553 | GLN | 0 | -0.039 | -0.035 | 36.824 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 554 | LEU | 0 | 0.035 | 0.022 | 39.059 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 555 | LYS | 1 | 0.816 | 0.874 | 39.818 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 556 | ASP | -1 | -0.833 | -0.905 | 35.837 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 557 | MET | 0 | -0.047 | -0.016 | 35.451 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 558 | ILE | 0 | 0.059 | 0.043 | 35.539 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 559 | PRO | 0 | -0.003 | 0.009 | 35.510 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 560 | THR | 0 | -0.041 | -0.034 | 31.263 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 561 | GLU | -1 | -0.755 | -0.828 | 30.952 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 562 | MET | 0 | 0.053 | 0.016 | 31.167 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 563 | GLN | 0 | -0.040 | -0.031 | 28.918 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 564 | ARG | 1 | 0.792 | 0.913 | 22.255 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 565 | LEU | 0 | 0.056 | 0.020 | 26.225 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 566 | THR | 0 | -0.042 | -0.017 | 26.972 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 567 | LYS | 1 | 0.911 | 0.941 | 22.511 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 568 | TYR | 0 | -0.023 | -0.038 | 21.621 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 569 | PRO | 0 | 0.067 | 0.046 | 21.065 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 570 | LEU | 0 | -0.028 | -0.010 | 19.963 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 571 | LEU | 0 | -0.019 | -0.009 | 17.122 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 572 | LEU | 0 | 0.034 | -0.002 | 16.102 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 573 | GLN | 0 | 0.017 | 0.004 | 16.750 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 574 | SER | 0 | -0.042 | -0.015 | 13.089 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 575 | ILE | 0 | 0.015 | 0.019 | 11.889 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 576 | GLY | 0 | 0.056 | 0.038 | 12.187 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 577 | GLN | 0 | -0.040 | -0.015 | 12.274 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 578 | ASN | 0 | -0.108 | -0.075 | 8.101 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 579 | THR | 0 | -0.043 | -0.017 | 8.325 | 0.390 | 0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 580 | GLU | -1 | -0.811 | -0.894 | 6.665 | 1.636 | 1.636 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 581 | GLU | -1 | -0.785 | -0.877 | 9.788 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 582 | PRO | 0 | -0.015 | -0.010 | 12.658 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 583 | THR | 0 | -0.021 | -0.028 | 16.149 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 584 | GLU | -1 | -0.687 | -0.846 | 14.256 | 0.467 | 0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 585 | ARG | 1 | 0.864 | 0.910 | 13.703 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 586 | GLU | -1 | -0.947 | -0.959 | 15.980 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 587 | LYS | 1 | 0.829 | 0.925 | 18.427 | -0.303 | -0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 588 | VAL | 0 | -0.006 | -0.016 | 15.241 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 589 | GLU | -1 | -0.906 | -0.943 | 17.528 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 590 | LEU | 0 | 0.038 | 0.029 | 19.774 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 591 | ALA | 0 | 0.027 | 0.011 | 20.842 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 592 | ALA | 0 | -0.032 | -0.029 | 19.808 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 593 | GLU | -1 | -0.806 | -0.873 | 21.960 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 594 | CYS | 0 | 0.040 | 0.034 | 24.940 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 595 | CYS | 0 | -0.100 | -0.049 | 24.039 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 596 | ARG | 1 | 0.771 | 0.855 | 21.675 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 597 | GLU | -1 | -0.874 | -0.938 | 27.443 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 598 | ILE | 0 | -0.030 | -0.013 | 28.530 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 599 | LEU | 0 | -0.039 | -0.021 | 27.738 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 600 | HIS | 0 | -0.005 | 0.004 | 30.809 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 601 | HIS | 0 | 0.003 | 0.002 | 33.145 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 602 | VAL | 0 | -0.001 | -0.015 | 33.048 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 603 | ASN | 0 | -0.049 | -0.041 | 32.395 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 604 | GLN | 0 | -0.046 | -0.013 | 36.195 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 605 | ALA | 0 | 0.030 | 0.006 | 38.950 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 606 | VAL | 0 | -0.016 | -0.005 | 37.332 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 607 | ARG | 1 | 0.924 | 0.970 | 40.437 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 608 | ASP | -1 | -0.831 | -0.904 | 42.449 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 609 | MET | 0 | -0.065 | -0.021 | 43.784 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 610 | GLU | -1 | -0.873 | -0.916 | 42.489 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 611 | ASP | -1 | -0.849 | -0.929 | 46.112 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 612 | LEU | 0 | -0.001 | 0.015 | 48.242 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 613 | LEU | 0 | -0.058 | -0.045 | 47.624 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 614 | ARG | 1 | 0.925 | 0.971 | 48.042 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 615 | LEU | 0 | 0.011 | -0.003 | 51.727 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 616 | LYS | 1 | 0.896 | 0.939 | 53.390 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 617 | ASP | -1 | -0.812 | -0.889 | 55.104 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 618 | TYR | 0 | -0.030 | -0.062 | 54.566 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 619 | GLN | 0 | 0.029 | 0.023 | 58.258 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 620 | ARG | 1 | 0.768 | 0.883 | 59.342 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 621 | ARG | 1 | 0.768 | 0.883 | 58.531 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 622 | LEU | 0 | -0.004 | 0.006 | 61.841 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 623 | ASP | -1 | -0.858 | -0.916 | 64.307 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 624 | LEU | 0 | 0.018 | -0.013 | 66.902 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 625 | SER | 0 | -0.060 | -0.029 | 69.048 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 626 | HIS | 0 | 0.060 | 0.034 | 71.583 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 627 | LEU | 0 | 0.034 | 0.022 | 67.490 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 628 | ARG | 1 | 0.814 | 0.897 | 69.059 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 629 | GLN | 0 | 0.003 | 0.010 | 73.699 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 630 | SER | 0 | -0.043 | -0.040 | 75.468 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 631 | SER | 0 | -0.030 | 0.000 | 77.224 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 632 | ASP | -1 | -0.842 | -0.904 | 77.721 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 633 | PRO | 0 | -0.016 | -0.011 | 77.424 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 634 | MET | 0 | 0.014 | 0.002 | 73.566 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 635 | LEU | 0 | 0.050 | 0.020 | 68.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 636 | SER | 0 | -0.067 | -0.028 | 69.933 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 637 | GLU | -1 | -0.863 | -0.922 | 64.439 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 638 | PHE | 0 | 0.027 | 0.001 | 63.864 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 639 | LYS | 1 | 1.013 | 0.995 | 66.761 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 640 | ASN | 0 | -0.114 | -0.049 | 67.084 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 641 | LEU | 0 | 0.084 | 0.052 | 61.240 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 642 | ASP | -1 | -0.817 | -0.882 | 58.892 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 643 | ILE | 0 | 0.019 | -0.011 | 57.006 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 644 | THR | 0 | -0.063 | -0.049 | 55.013 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 645 | LYS | 1 | 0.831 | 0.914 | 52.727 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 646 | LYS | 1 | 0.811 | 0.895 | 52.919 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 647 | LYS | 1 | 0.877 | 0.932 | 45.659 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 648 | LEU | 0 | 0.001 | 0.006 | 49.558 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 649 | VAL | 0 | -0.020 | -0.003 | 48.316 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 650 | HIS | 0 | 0.001 | -0.008 | 48.480 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 651 | GLU | -1 | -0.773 | -0.846 | 50.841 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 652 | GLY | 0 | -0.001 | -0.003 | 52.926 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 653 | PRO | 0 | -0.016 | 0.003 | 55.329 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 654 | LEU | 0 | -0.009 | -0.017 | 58.016 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 655 | THR | 0 | -0.006 | -0.007 | 60.861 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 656 | TRP | 0 | -0.006 | -0.013 | 64.208 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 657 | ARG | 1 | 0.849 | 0.906 | 66.358 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 658 | VAL | 0 | 0.025 | 0.010 | 69.436 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 659 | THR | 0 | 0.002 | -0.011 | 71.821 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 660 | LYS | 1 | 1.018 | 1.021 | 73.428 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 661 | ASP | -1 | -0.858 | -0.924 | 75.426 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 662 | LYS | 1 | 0.788 | 0.867 | 73.196 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 663 | ALA | 0 | -0.100 | -0.027 | 71.284 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 664 | VAL | 0 | 0.066 | 0.045 | 68.323 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 665 | GLU | -1 | -0.837 | -0.885 | 64.613 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 666 | VAL | 0 | -0.082 | -0.047 | 62.536 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 667 | HIS | 0 | -0.016 | -0.021 | 56.017 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 668 | VAL | 0 | -0.004 | 0.004 | 57.885 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 669 | LEU | 0 | -0.025 | -0.016 | 55.328 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 670 | LEU | 0 | -0.014 | -0.004 | 52.178 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 671 | LEU | 0 | 0.008 | -0.015 | 52.956 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 672 | ASP | -1 | -0.765 | -0.884 | 50.907 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 673 | ASP | -1 | -0.758 | -0.869 | 52.579 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 674 | LEU | 0 | -0.062 | -0.003 | 56.145 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 675 | LEU | 0 | 0.011 | 0.003 | 57.427 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 676 | LEU | 0 | -0.020 | -0.010 | 59.366 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 677 | LEU | 0 | 0.000 | -0.004 | 60.534 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 678 | LEU | 0 | 0.003 | 0.005 | 59.963 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 679 | GLN | 0 | 0.049 | -0.004 | 63.759 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 680 | ARG | 1 | 0.916 | 0.952 | 58.152 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 681 | GLN | 0 | -0.071 | -0.036 | 65.461 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 682 | ASP | -1 | -0.809 | -0.910 | 67.114 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 683 | GLU | -1 | -0.889 | -0.934 | 63.882 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 684 | ARG | 1 | 0.845 | 0.927 | 63.672 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 685 | LEU | 0 | -0.002 | 0.007 | 60.305 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 686 | LEU | 0 | 0.016 | 0.006 | 64.844 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 687 | LEU | 0 | 0.029 | 0.032 | 63.758 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 688 | LYS | 1 | 0.874 | 0.935 | 67.637 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 689 | SER | 0 | 0.009 | 0.003 | 70.354 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 690 | HIS | 1 | 0.963 | 0.997 | 69.540 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 703 | MET | 0 | 0.027 | -0.008 | 75.814 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 704 | LEU | 0 | -0.072 | -0.020 | 70.517 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 705 | ARG | 1 | 0.917 | 0.939 | 68.648 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 706 | PRO | 0 | -0.013 | 0.013 | 66.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 707 | VAL | 0 | 0.001 | -0.006 | 63.032 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 708 | LEU | 0 | -0.021 | -0.007 | 62.581 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 709 | ARG | 1 | 0.868 | 0.922 | 60.062 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 710 | LEU | 0 | 0.028 | -0.008 | 55.480 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 711 | THR | 0 | 0.007 | 0.014 | 57.826 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 712 | SER | 0 | -0.031 | -0.017 | 59.453 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 713 | ALA | 0 | -0.033 | 0.007 | 58.886 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 714 | MET | 0 | 0.024 | 0.011 | 59.289 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 715 | THR | 0 | 0.026 | 0.014 | 57.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 716 | ARG | 1 | 0.893 | 0.943 | 59.957 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 717 | GLU | -1 | -0.775 | -0.865 | 58.404 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 718 | VAL | 0 | 0.034 | 0.027 | 61.528 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 719 | ALA | 0 | -0.012 | -0.008 | 64.236 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 720 | THR | 0 | -0.036 | -0.017 | 65.955 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 721 | ASP | -1 | -0.764 | -0.909 | 64.148 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 722 | HIS | 0 | 0.035 | 0.029 | 60.042 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 723 | LYS | 1 | 0.854 | 0.922 | 59.599 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 724 | ALA | 0 | 0.009 | 0.013 | 60.811 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 725 | PHE | 0 | -0.042 | -0.029 | 58.564 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 726 | TYR | 0 | -0.010 | -0.006 | 61.993 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 727 | VAL | 0 | 0.000 | -0.010 | 60.670 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 728 | LEU | 0 | -0.018 | -0.003 | 63.044 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 729 | PHE | 0 | 0.007 | -0.023 | 61.590 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 730 | THR | 0 | -0.016 | 0.002 | 63.652 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 731 | TRP | 0 | 0.031 | -0.007 | 64.303 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 732 | ASP | -1 | -0.891 | -0.926 | 65.309 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 733 | GLN | 0 | -0.070 | -0.030 | 65.875 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 734 | GLU | -1 | -0.853 | -0.921 | 70.118 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 735 | ALA | 0 | -0.071 | -0.008 | 70.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 736 | GLN | 0 | -0.027 | 0.004 | 68.460 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 737 | ILE | 0 | 0.026 | -0.014 | 67.707 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 738 | TYR | 0 | -0.006 | -0.010 | 64.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 739 | GLU | -1 | -0.842 | -0.915 | 65.124 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 740 | LEU | 0 | -0.014 | -0.016 | 61.231 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 741 | VAL | 0 | -0.038 | -0.022 | 62.027 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 742 | ALA | 0 | 0.020 | 0.016 | 57.486 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 743 | GLN | 0 | 0.049 | 0.022 | 57.768 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 744 | THR | 0 | -0.064 | -0.032 | 53.921 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 745 | VAL | 0 | 0.037 | 0.019 | 55.523 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 746 | SER | 0 | 0.025 | -0.004 | 50.762 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 747 | GLU | -1 | -0.793 | -0.898 | 51.950 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 748 | ARG | 1 | 0.804 | 0.889 | 53.550 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 749 | LYS | 1 | 0.851 | 0.926 | 52.434 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 750 | ASN | 0 | 0.042 | 0.027 | 48.562 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 751 | TRP | 0 | 0.014 | 0.014 | 51.225 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 752 | CYS | 0 | -0.056 | -0.027 | 53.902 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 753 | ALA | 0 | 0.004 | 0.031 | 49.696 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 754 | LEU | 0 | 0.085 | 0.036 | 47.364 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 755 | ILE | 0 | -0.009 | -0.003 | 50.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 756 | THR | 0 | -0.076 | -0.057 | 53.621 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 757 | GLU | -1 | -0.909 | -0.942 | 47.072 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 758 | THR | 0 | -0.033 | -0.012 | 50.583 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 759 | ALA | 0 | -0.016 | -0.017 | 51.825 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 760 | GLY | 0 | 0.019 | 0.013 | 52.706 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 761 | SER | 0 | -0.091 | -0.055 | 49.125 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 762 | LEU | 0 | -0.052 | -0.013 | 50.780 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 763 | LYS | 1 | 0.918 | 0.968 | 53.134 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 764 | VAL | 0 | 0.045 | 0.012 | 55.109 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 765 | PRO | 0 | -0.028 | -0.002 | 58.723 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |