![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 2JJKR
Calculation Name: 4C95-C-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4C95
Chain ID: C
UniProt ID: Q01454
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 | 296 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4566621.267397 |
---|---|
FMO2-HF: Nuclear repulsion | 4447714.926405 |
FMO2-HF: Total energy | -118906.340992 |
FMO2-MP2: Total energy | -119253.299526 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F025218/ligand_interaction/ligand_F025218.png)
Ligand Interaction
![ligand interaction](./Kdata/F025218/ligand_interaction/ligand_interaction_F025218.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(C:474:PHE)
Summations of interaction energy for
fragment #1(C:474:PHE)
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. |
-9.564 | 2.03 | 6.073 | -4.136 | -13.531 | -0.006 |
Interaction energy analysis for fragmet #1(C:474:PHE)
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 | 476 | TYR | 0 | 0.035 | 0.002 | 2.874 | -5.194 | 0.964 | 2.771 | -2.413 | -6.515 | -0.003 |
4 | C | 477 | MET | 0 | -0.058 | -0.020 | 4.309 | -0.362 | -0.059 | 0.004 | -0.052 | -0.255 | 0.000 |
5 | C | 478 | PRO | 0 | -0.023 | -0.010 | 6.540 | -0.306 | -0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | C | 479 | PHE | 0 | 0.036 | 0.019 | 7.562 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | C | 480 | SER | 0 | -0.022 | -0.029 | 9.483 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | C | 481 | PRO | 0 | -0.006 | 0.001 | 12.985 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | C | 482 | ALA | 0 | 0.059 | 0.035 | 14.488 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | C | 483 | GLY | 0 | 0.037 | 0.042 | 14.318 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | C | 484 | THR | 0 | -0.015 | -0.019 | 14.705 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | C | 485 | PRO | 0 | 0.016 | 0.019 | 13.777 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | C | 486 | PHE | 0 | 0.015 | -0.008 | 15.603 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | C | 487 | GLY | 0 | 0.007 | 0.018 | 17.380 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | C | 488 | PHE | 0 | -0.017 | -0.015 | 18.860 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | C | 489 | THR | 0 | -0.007 | 0.010 | 21.848 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | C | 490 | ASP | -1 | -0.786 | -0.896 | 22.537 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | C | 491 | ARG | 1 | 0.906 | 0.969 | 23.291 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | C | 492 | ARG | 1 | 0.862 | 0.943 | 14.864 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | C | 493 | TYR | 0 | 0.027 | -0.030 | 19.384 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | C | 494 | LEU | 0 | -0.074 | -0.034 | 17.187 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | C | 495 | THR | 0 | -0.027 | -0.032 | 16.239 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | C | 496 | MET | 0 | -0.030 | -0.016 | 18.141 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | C | 497 | ASN | 0 | 0.009 | 0.000 | 19.573 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | C | 498 | GLU | -1 | -0.856 | -0.938 | 22.093 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | C | 499 | VAL | 0 | -0.051 | -0.005 | 25.030 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | C | 500 | GLY | 0 | 0.028 | -0.005 | 25.119 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | C | 501 | TYR | 0 | -0.029 | -0.007 | 23.046 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | C | 502 | VAL | 0 | 0.014 | 0.013 | 21.238 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | C | 503 | SER | 0 | -0.025 | -0.006 | 21.504 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | C | 504 | THR | 0 | -0.004 | -0.002 | 20.045 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | C | 505 | VAL | 0 | -0.004 | -0.018 | 23.079 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | C | 506 | LYS | 1 | 0.840 | 0.920 | 21.144 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | C | 507 | ASN | 0 | -0.023 | -0.023 | 25.605 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | C | 508 | SER | 0 | -0.039 | -0.028 | 28.839 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | C | 509 | GLU | -1 | -0.883 | -0.928 | 30.000 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | C | 510 | GLN | 0 | -0.111 | -0.056 | 27.176 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | C | 511 | TYR | 0 | -0.021 | -0.010 | 21.220 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | C | 512 | SER | 0 | 0.005 | -0.005 | 25.971 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | C | 513 | ILE | 0 | -0.043 | -0.010 | 22.319 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | C | 514 | THR | 0 | -0.015 | -0.013 | 25.622 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | C | 515 | VAL | 0 | -0.042 | -0.020 | 25.238 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | C | 516 | SER | 0 | 0.010 | -0.022 | 26.867 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | C | 517 | PHE | 0 | -0.016 | -0.029 | 27.582 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | C | 518 | PHE | 0 | 0.010 | 0.004 | 25.514 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | C | 519 | ASP | -1 | -0.878 | -0.936 | 30.972 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | C | 520 | VAL | 0 | -0.012 | -0.023 | 33.812 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | C | 521 | GLY | 0 | -0.019 | 0.003 | 35.559 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | C | 522 | ARG | 1 | 0.784 | 0.890 | 31.752 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | C | 523 | PHE | 0 | -0.032 | -0.020 | 31.133 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | C | 524 | ARG | 1 | 0.949 | 0.972 | 34.252 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | C | 525 | GLU | -1 | -0.837 | -0.889 | 31.253 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | C | 526 | TYR | 0 | -0.050 | -0.020 | 28.238 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | C | 527 | HIS | 0 | 0.022 | 0.006 | 29.637 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | C | 528 | PHE | 0 | -0.045 | -0.027 | 25.091 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | C | 529 | GLU | -1 | -0.754 | -0.852 | 28.694 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | C | 530 | ASP | -1 | -0.824 | -0.917 | 22.853 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | C | 531 | LEU | 0 | 0.015 | 0.000 | 26.083 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | C | 532 | PHE | 0 | -0.064 | -0.034 | 22.789 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | C | 533 | GLY | 0 | 0.019 | 0.019 | 21.363 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | C | 534 | TYR | 0 | -0.088 | -0.049 | 18.880 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | C | 535 | ASP | -1 | -0.782 | -0.873 | 14.386 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | C | 536 | LEU | 0 | -0.081 | -0.019 | 11.307 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | C | 537 | CYS | 0 | -0.051 | -0.032 | 15.227 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | C | 538 | PHE | 0 | 0.055 | 0.021 | 16.207 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | C | 539 | LEU | 0 | 0.044 | 0.041 | 18.736 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | C | 540 | ASN | 0 | 0.005 | 0.004 | 22.140 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | C | 541 | GLU | -1 | -0.771 | -0.865 | 24.598 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | C | 542 | LYS | 1 | 0.873 | 0.923 | 27.619 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | C | 543 | GLY | 0 | 0.078 | 0.050 | 27.076 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | C | 544 | THR | 0 | -0.030 | -0.002 | 22.613 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | C | 545 | LEU | 0 | -0.047 | -0.018 | 18.858 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | C | 546 | PHE | 0 | 0.023 | 0.005 | 19.667 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | C | 547 | GLY | 0 | 0.033 | -0.002 | 17.114 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | C | 548 | GLN | 0 | -0.024 | -0.013 | 16.525 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | C | 549 | SER | 0 | -0.059 | -0.058 | 11.809 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | C | 550 | LYS | 1 | 0.918 | 0.939 | 13.437 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | C | 551 | THR | 0 | 0.017 | 0.006 | 15.174 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | C | 552 | GLY | 0 | 0.051 | 0.033 | 16.667 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | C | 553 | GLN | 0 | -0.023 | 0.013 | 17.572 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | C | 554 | ILE | 0 | 0.005 | -0.002 | 18.387 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | C | 555 | GLN | 0 | 0.033 | 0.002 | 21.013 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | C | 556 | TYR | 0 | 0.000 | 0.005 | 23.338 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | C | 557 | ARG | 1 | 0.934 | 0.959 | 25.397 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | C | 558 | PRO | 0 | -0.029 | -0.010 | 27.854 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | C | 559 | HIS | 0 | -0.018 | -0.023 | 26.885 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | C | 560 | ASP | -1 | -0.864 | -0.922 | 31.426 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | C | 561 | SER | 0 | -0.010 | -0.019 | 34.442 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | C | 562 | ILE | 0 | -0.088 | -0.031 | 36.871 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | C | 563 | HIS | 0 | -0.050 | -0.019 | 33.539 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | C | 564 | SER | 0 | 0.020 | 0.012 | 34.177 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | C | 565 | ASN | 0 | 0.029 | 0.006 | 29.732 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | C | 566 | TRP | 0 | -0.042 | -0.013 | 23.688 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | C | 567 | THR | 0 | 0.021 | 0.001 | 25.318 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | C | 568 | LYS | 1 | 0.830 | 0.932 | 22.996 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | C | 569 | ILE | 0 | 0.024 | 0.011 | 21.384 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | C | 570 | ILE | 0 | -0.064 | -0.035 | 16.526 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | C | 571 | PRO | 0 | 0.003 | -0.008 | 18.793 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | C | 572 | LEU | 0 | -0.031 | 0.000 | 13.553 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | C | 573 | GLN | 0 | 0.032 | 0.024 | 14.970 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | C | 574 | ALA | 0 | 0.045 | 0.008 | 15.243 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | C | 575 | GLY | 0 | -0.022 | -0.012 | 11.854 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | C | 576 | GLU | -1 | -0.805 | -0.876 | 10.347 | -0.517 | -0.517 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | C | 577 | ARG | 1 | 0.915 | 0.955 | 8.866 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | C | 578 | ILE | 0 | 0.005 | 0.002 | 9.820 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | C | 579 | THR | 0 | -0.039 | -0.057 | 6.007 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | C | 580 | SER | 0 | 0.044 | 0.031 | 8.959 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | C | 581 | VAL | 0 | 0.002 | 0.005 | 11.362 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | C | 582 | ALA | 0 | 0.026 | 0.011 | 15.107 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | C | 583 | ALA | 0 | 0.007 | 0.010 | 17.605 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | C | 584 | THR | 0 | -0.047 | -0.026 | 21.376 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | C | 585 | PRO | 0 | 0.042 | 0.008 | 24.388 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | C | 586 | VAL | 0 | -0.021 | -0.003 | 27.091 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | C | 587 | ARG | 1 | 0.837 | 0.925 | 22.961 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | C | 588 | VAL | 0 | 0.019 | 0.021 | 20.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | C | 589 | ILE | 0 | -0.025 | -0.022 | 16.025 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | C | 590 | VAL | 0 | 0.027 | 0.010 | 14.704 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | C | 591 | GLY | 0 | 0.041 | 0.021 | 11.655 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | C | 592 | THR | 0 | -0.025 | -0.033 | 10.071 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | C | 593 | SER | 0 | 0.079 | 0.037 | 6.144 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | C | 594 | LEU | 0 | -0.003 | 0.002 | 6.942 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | C | 595 | GLY | 0 | 0.005 | 0.015 | 9.249 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | C | 596 | TYR | 0 | -0.079 | -0.031 | 10.423 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | C | 597 | PHE | 0 | 0.037 | 0.006 | 13.230 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | C | 598 | ARG | 1 | 0.922 | 0.969 | 15.309 | 0.345 | 0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | C | 599 | SER | 0 | 0.003 | 0.010 | 18.236 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | C | 600 | PHE | 0 | 0.016 | -0.002 | 19.698 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | C | 601 | ASN | 0 | 0.079 | 0.050 | 24.053 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | C | 602 | GLN | 0 | 0.058 | 0.020 | 26.428 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | C | 603 | PHE | 0 | 0.001 | -0.001 | 27.944 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | C | 604 | GLY | 0 | 0.041 | 0.036 | 26.070 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | C | 605 | VAL | 0 | -0.022 | -0.023 | 26.677 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | C | 606 | PRO | 0 | -0.013 | -0.006 | 24.679 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | C | 607 | PHE | 0 | -0.026 | -0.026 | 24.439 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | C | 608 | ALA | 0 | 0.010 | 0.007 | 22.368 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | C | 609 | VAL | 0 | -0.019 | -0.017 | 18.624 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | C | 610 | GLU | -1 | -0.775 | -0.840 | 17.345 | -0.293 | -0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | C | 611 | LYS | 1 | 0.817 | 0.920 | 11.973 | 0.559 | 0.559 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | C | 612 | THR | 0 | -0.008 | -0.016 | 11.554 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | C | 613 | SER | 0 | 0.012 | -0.024 | 8.996 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | C | 614 | PRO | 0 | -0.042 | -0.017 | 5.323 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | C | 615 | ILE | 0 | -0.011 | 0.013 | 6.594 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | C | 616 | VAL | 0 | -0.011 | 0.004 | 3.006 | -0.850 | -0.272 | 0.089 | -0.142 | -0.525 | 0.000 |
144 | C | 617 | ALA | 0 | 0.015 | 0.013 | 5.959 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | C | 618 | LEU | 0 | -0.017 | -0.002 | 9.043 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | C | 619 | THR | 0 | 0.039 | 0.028 | 12.771 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | C | 620 | ALA | 0 | -0.010 | -0.007 | 16.061 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | C | 621 | GLN | 0 | 0.069 | 0.040 | 19.607 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | C | 622 | ASN | 0 | 0.002 | -0.006 | 23.181 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | C | 623 | TYR | 0 | 0.046 | 0.031 | 25.281 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | C | 624 | ARG | 1 | 0.852 | 0.945 | 22.221 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | C | 625 | VAL | 0 | -0.026 | -0.023 | 16.669 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | C | 626 | PHE | 0 | 0.010 | 0.002 | 14.279 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | C | 627 | SER | 0 | -0.018 | -0.023 | 12.103 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | C | 628 | VAL | 0 | 0.037 | 0.017 | 7.508 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | C | 629 | HIS | 0 | -0.024 | -0.016 | 7.474 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | C | 630 | TYR | 0 | 0.020 | 0.014 | 3.621 | -2.147 | 0.638 | 0.432 | -0.651 | -2.567 | -0.002 |
158 | C | 631 | SER | 0 | 0.000 | 0.002 | 5.596 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | C | 632 | GLN | 0 | -0.025 | -0.032 | 5.973 | 0.312 | 0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | C | 633 | PHE | 0 | -0.022 | -0.003 | 7.158 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | C | 634 | HIS | 0 | 0.028 | 0.006 | 10.530 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | C | 635 | GLY | 0 | 0.024 | 0.036 | 7.546 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | C | 636 | LEU | 0 | 0.021 | -0.006 | 4.853 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | C | 637 | SER | 0 | -0.006 | 0.007 | 8.307 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | C | 638 | TYR | 0 | 0.017 | 0.007 | 10.369 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | C | 639 | SER | 0 | -0.017 | 0.004 | 12.990 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | C | 640 | LEU | 0 | -0.026 | -0.001 | 15.586 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | C | 641 | SER | 0 | -0.013 | -0.014 | 18.692 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | C | 642 | GLU | -1 | -0.812 | -0.886 | 20.937 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | C | 643 | LEU | 0 | -0.009 | -0.008 | 20.711 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | C | 644 | GLY | 0 | 0.034 | 0.006 | 24.621 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | C | 645 | THR | 0 | -0.001 | -0.012 | 28.378 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | C | 646 | SER | 0 | -0.002 | 0.020 | 31.017 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | C | 647 | SER | 0 | 0.035 | 0.002 | 27.239 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | C | 648 | LYS | 1 | 0.796 | 0.914 | 17.348 | 0.314 | 0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | C | 649 | ARG | 1 | 0.961 | 0.996 | 24.499 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | C | 650 | TYR | 0 | -0.077 | -0.103 | 17.028 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | C | 651 | TYR | 0 | -0.077 | -0.055 | 21.979 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | C | 652 | LYS | 1 | 0.904 | 0.949 | 18.881 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | C | 653 | ARG | 1 | 0.966 | 0.970 | 17.343 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | C | 654 | GLU | -1 | -0.831 | -0.885 | 12.378 | -0.519 | -0.519 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | C | 655 | CYS | 0 | -0.073 | -0.018 | 14.594 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | C | 656 | PRO | 0 | 0.108 | 0.028 | 14.312 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | C | 657 | LEU | 0 | -0.008 | 0.004 | 9.821 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | C | 658 | PRO | 0 | -0.031 | -0.007 | 12.975 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | C | 659 | MET | 0 | -0.031 | -0.003 | 8.962 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | C | 660 | SER | 0 | 0.025 | 0.020 | 12.046 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | C | 661 | LEU | 0 | -0.028 | -0.018 | 6.129 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | C | 662 | PRO | 0 | -0.008 | 0.000 | 7.048 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | C | 663 | ASN | 0 | -0.010 | 0.013 | 9.899 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | C | 671 | ASP | -1 | -0.864 | -0.943 | 16.086 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | C | 672 | ALA | 0 | 0.013 | 0.006 | 18.002 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | C | 673 | ASN | 0 | -0.035 | -0.015 | 15.503 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | C | 674 | LEU | 0 | 0.049 | 0.023 | 12.407 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | C | 675 | ASP | -1 | -0.875 | -0.945 | 12.437 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | C | 676 | TYR | 0 | 0.013 | 0.014 | 11.039 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | C | 677 | TYR | 0 | 0.030 | 0.015 | 8.630 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | C | 678 | ASN | 0 | -0.045 | -0.026 | 7.292 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | C | 679 | PHE | 0 | -0.055 | -0.019 | 8.415 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | C | 680 | ASN | 0 | -0.069 | -0.067 | 7.024 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | C | 681 | PRO | 0 | 0.025 | 0.009 | 2.552 | -0.868 | -0.161 | 0.277 | -0.222 | -0.762 | 0.000 |
202 | C | 682 | MET | 0 | -0.027 | -0.013 | 2.212 | -1.249 | -0.211 | 2.501 | -0.653 | -2.886 | -0.001 |
203 | C | 683 | GLY | 0 | 0.050 | 0.019 | 5.004 | 0.260 | 0.285 | -0.001 | -0.003 | -0.021 | 0.000 |
204 | C | 684 | ILE | 0 | -0.036 | -0.013 | 7.064 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | C | 685 | LYS | 1 | 0.879 | 0.979 | 9.977 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | C | 686 | SER | 0 | 0.019 | -0.007 | 13.073 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | C | 687 | LEU | 0 | -0.026 | -0.006 | 11.409 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | C | 688 | PHE | 0 | 0.010 | 0.005 | 14.938 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | C | 689 | PHE | 0 | -0.033 | -0.013 | 18.179 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | C | 690 | SER | 0 | 0.058 | 0.046 | 21.222 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | C | 691 | SER | 0 | 0.029 | 0.004 | 24.203 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | C | 692 | TYR | 0 | 0.008 | 0.010 | 26.175 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | C | 693 | GLY | 0 | -0.081 | -0.032 | 25.171 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | C | 694 | ASP | -1 | -0.855 | -0.930 | 23.397 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | C | 695 | PRO | 0 | -0.045 | -0.012 | 17.893 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | C | 696 | CYS | 0 | -0.025 | -0.004 | 18.528 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | C | 697 | ILE | 0 | -0.019 | -0.023 | 10.835 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | C | 698 | PHE | 0 | 0.038 | 0.021 | 14.438 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | C | 699 | GLY | 0 | 0.086 | 0.029 | 12.229 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | C | 700 | SER | 0 | 0.030 | 0.005 | 11.316 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | C | 701 | ASP | -1 | -0.909 | -0.939 | 13.061 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | C | 702 | ASN | 0 | -0.024 | 0.002 | 15.855 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | C | 703 | THR | 0 | 0.045 | 0.019 | 17.383 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | C | 704 | LEU | 0 | -0.044 | -0.019 | 17.910 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | C | 705 | LEU | 0 | -0.018 | -0.006 | 15.661 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | C | 706 | LEU | 0 | 0.040 | 0.011 | 19.044 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | C | 707 | LEU | 0 | -0.034 | -0.006 | 18.827 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | C | 708 | SER | 0 | 0.031 | 0.016 | 21.358 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | C | 709 | LYS | 1 | 0.893 | 0.906 | 25.108 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | C | 710 | TRP | 0 | 0.012 | -0.006 | 22.791 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | C | 711 | ARG | 1 | 0.852 | 0.924 | 24.646 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | C | 712 | SER | 0 | 0.021 | 0.016 | 27.582 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | C | 713 | PRO | 0 | -0.043 | -0.034 | 25.799 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | C | 714 | GLU | -1 | -0.916 | -0.939 | 26.460 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | C | 715 | GLU | -1 | -0.826 | -0.900 | 28.706 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | C | 716 | SER | 0 | -0.039 | -0.019 | 23.349 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | C | 717 | LYS | 1 | 0.920 | 0.961 | 22.874 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | C | 718 | TRP | 0 | 0.014 | -0.004 | 16.219 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | C | 719 | LEU | 0 | -0.031 | -0.016 | 21.330 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | C | 720 | PRO | 0 | 0.040 | 0.016 | 21.399 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | C | 721 | ILE | 0 | -0.024 | -0.010 | 22.738 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | C | 722 | LEU | 0 | 0.048 | 0.016 | 23.654 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | C | 723 | ASP | -1 | -0.776 | -0.876 | 22.512 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | C | 724 | SER | 0 | -0.049 | -0.050 | 21.148 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | C | 725 | ASN | 0 | -0.009 | -0.024 | 20.144 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | C | 726 | MET | 0 | 0.035 | 0.023 | 24.204 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | C | 727 | GLU | -1 | -0.827 | -0.907 | 27.128 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | C | 728 | ILE | 0 | 0.020 | 0.007 | 24.488 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | C | 729 | TRP | 0 | -0.046 | -0.013 | 28.397 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | C | 730 | LYS | 1 | 0.804 | 0.878 | 30.148 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | C | 731 | MET | 0 | -0.045 | -0.012 | 31.000 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | C | 732 | SER | 0 | -0.040 | -0.005 | 30.788 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | C | 733 | GLY | 0 | -0.043 | -0.026 | 33.593 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | C | 734 | GLY | 0 | -0.003 | 0.009 | 34.070 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | C | 735 | LYS | 1 | 0.833 | 0.913 | 33.479 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | C | 736 | GLU | -1 | -0.820 | -0.915 | 28.734 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | C | 737 | THR | 0 | 0.001 | 0.008 | 29.179 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | C | 738 | THR | 0 | -0.008 | -0.001 | 24.622 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | C | 739 | ASP | -1 | -0.946 | -0.973 | 25.165 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | C | 740 | ILE | 0 | -0.036 | -0.031 | 25.956 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | C | 741 | HIS | 0 | 0.039 | 0.028 | 20.468 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | C | 742 | VAL | 0 | 0.035 | 0.022 | 21.519 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | C | 743 | TRP | 0 | -0.054 | -0.043 | 14.838 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | C | 744 | PRO | 0 | -0.027 | 0.003 | 17.306 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | C | 745 | LEU | 0 | -0.040 | -0.019 | 19.455 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | C | 746 | ALA | 0 | 0.005 | -0.010 | 21.224 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | C | 747 | LEU | 0 | -0.020 | -0.009 | 22.843 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | C | 748 | ALA | 0 | 0.019 | 0.003 | 24.603 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | C | 749 | TYR | 0 | -0.053 | -0.039 | 28.232 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | C | 750 | ASP | -1 | -0.872 | -0.939 | 29.998 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | C | 751 | THR | 0 | -0.011 | -0.020 | 29.545 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | C | 752 | LEU | 0 | -0.055 | -0.033 | 22.059 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | C | 753 | ASN | 0 | 0.057 | 0.034 | 25.283 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | C | 754 | CYS | 0 | -0.052 | -0.035 | 23.628 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | C | 755 | ILE | 0 | 0.032 | 0.018 | 23.321 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | C | 756 | LEU | 0 | 0.019 | 0.009 | 23.757 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | C | 757 | VAL | 0 | -0.030 | -0.018 | 21.540 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | C | 758 | LYS | 1 | 0.986 | 0.990 | 24.734 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | C | 759 | GLY | 0 | 0.018 | 0.009 | 25.682 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | C | 760 | LYS | 1 | 0.951 | 0.972 | 23.291 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | C | 761 | HIS | 1 | 0.836 | 0.902 | 19.214 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | C | 762 | ILE | 0 | 0.018 | 0.011 | 14.471 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | C | 763 | TRP | 0 | -0.022 | -0.017 | 16.087 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | C | 764 | PRO | 0 | 0.016 | 0.023 | 18.894 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | C | 765 | GLU | -1 | -0.844 | -0.920 | 21.377 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | C | 766 | PHE | 0 | -0.045 | 0.026 | 23.103 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | C | 767 | PRO | 0 | 0.000 | -0.021 | 27.220 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | C | 768 | LEU | 0 | 0.025 | 0.005 | 24.122 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | C | 769 | PRO | 0 | -0.029 | -0.015 | 26.427 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | C | 770 | LEU | 0 | 0.028 | 0.010 | 28.739 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | C | 771 | PRO | 0 | -0.007 | -0.004 | 28.000 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | C | 772 | SER | 0 | -0.063 | -0.028 | 28.026 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | C | 773 | GLU | -1 | -0.870 | -0.924 | 28.493 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | C | 774 | MET | 0 | -0.084 | -0.030 | 25.529 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | C | 775 | GLU | -1 | -0.839 | -0.917 | 29.094 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | C | 776 | ILE | 0 | -0.071 | -0.023 | 27.285 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |