
FMODB ID: RYKL8
Calculation Name: 2FPH-X-Xray540
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2FPH
Chain ID: X
UniProt ID: Q8DNW3
Base Structure: X-ray
Registration Date: 2025-07-08
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Apendix: None
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 | 313 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -1722679.683071 |
---|---|
FMO2-HF: Nuclear repulsion | 1656300.552577 |
FMO2-HF: Total energy | -66379.130494 |
FMO2-MP2: Total energy | -66575.774542 |
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(X:5:GLY)
Summations of interaction energy for
fragment #1(X:5: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. |
-0.867 | 2.093 | 0.317 | -1.442 | -1.836 | 0.002 |
Interaction energy analysis for fragmet #1(X:5: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 | X | 6 | ILE | 0 | -0.070 | 0.102 | 3.295 | -0.107 | 0.367 | 0.035 | -0.190 | -0.320 | 0.001 |
4 | X | 7 | TYR | 0 | 0.046 | -0.078 | 3.775 | 0.474 | 2.094 | -0.015 | -0.806 | -0.798 | 0.003 |
5 | X | 7 | TYR | 0 | -0.024 | 0.105 | 2.934 | -0.857 | 0.009 | 0.297 | -0.446 | -0.718 | -0.002 |
6 | X | 8 | GLN | 0 | 0.142 | -0.107 | 6.326 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | X | 8 | GLN | 0 | -0.095 | 0.102 | 10.613 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | X | 9 | HIS | 0 | 0.064 | -0.102 | 10.013 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | X | 9 | HIS | 0 | -0.106 | 0.084 | 11.356 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | X | 10 | PHE | 0 | 0.083 | -0.081 | 12.279 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | X | 10 | PHE | 0 | -0.059 | 0.094 | 10.365 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | X | 11 | SER | 0 | -0.007 | -0.108 | 14.197 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | X | 11 | SER | 0 | -0.016 | 0.067 | 18.083 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | X | 12 | ILE | 0 | 0.120 | -0.093 | 17.960 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | X | 12 | ILE | 0 | -0.094 | 0.081 | 21.158 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | X | 13 | GLU | 0 | 0.049 | -0.151 | 20.833 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | X | 13 | GLU | -1 | -0.969 | -0.818 | 21.347 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | X | 14 | ASP | 0 | 0.041 | -0.102 | 17.354 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | X | 14 | ASP | -1 | -0.810 | -0.753 | 16.659 | -0.527 | -0.527 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | X | 15 | ARG | 0 | 0.037 | -0.083 | 18.568 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | X | 15 | ARG | 1 | 0.869 | 1.068 | 18.607 | 0.388 | 0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | X | 16 | PRO | 0 | 0.061 | -0.090 | 19.619 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | X | 17 | PHE | 0 | 0.111 | 0.022 | 19.671 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | X | 17 | PHE | 0 | -0.085 | 0.090 | 16.225 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | X | 18 | LEU | 0 | 0.046 | -0.098 | 16.286 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | X | 18 | LEU | 0 | -0.088 | 0.096 | 13.576 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | X | 19 | ASP | 0 | 0.114 | -0.089 | 17.005 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | X | 19 | ASP | -1 | -1.015 | -0.860 | 19.903 | -0.338 | -0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | X | 20 | LYS | 0 | 0.076 | -0.107 | 19.614 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | X | 20 | LYS | 1 | 0.789 | 1.014 | 20.873 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | X | 21 | GLY | 0 | -0.037 | -0.115 | 16.507 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | X | 22 | MET | 0 | 0.131 | -0.002 | 16.028 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | X | 22 | MET | 0 | -0.092 | 0.107 | 14.271 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | X | 23 | GLU | 0 | 0.047 | -0.106 | 16.945 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | X | 23 | GLU | -1 | -0.930 | -0.829 | 21.526 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | X | 24 | TRP | 0 | 0.053 | -0.082 | 19.359 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | X | 24 | TRP | 0 | -0.087 | 0.065 | 18.371 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | X | 25 | ILE | 0 | 0.111 | -0.069 | 15.393 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | X | 25 | ILE | 0 | -0.101 | 0.098 | 12.524 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | X | 26 | LYS | 0 | 0.169 | -0.048 | 16.719 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | X | 26 | LYS | 1 | 0.777 | 1.035 | 19.231 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | X | 27 | LYS | 0 | 0.005 | -0.125 | 19.286 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | X | 27 | LYS | 1 | 0.806 | 1.011 | 21.733 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | X | 28 | VAL | 0 | 0.127 | -0.063 | 18.654 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | X | 28 | VAL | 0 | -0.069 | 0.119 | 17.583 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | X | 29 | GLU | 0 | 0.050 | -0.113 | 18.747 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | X | 29 | GLU | -1 | -0.997 | -0.874 | 15.804 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | X | 30 | ASP | 0 | 0.035 | -0.114 | 19.308 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | X | 30 | ASP | -1 | -0.952 | -0.860 | 23.471 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | X | 31 | SER | 0 | -0.022 | -0.084 | 22.702 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | X | 31 | SER | 0 | -0.083 | 0.036 | 23.019 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | X | 32 | TYR | 0 | 0.155 | -0.024 | 21.119 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | X | 32 | TYR | 0 | -0.106 | 0.084 | 19.703 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | X | 33 | ALA | 0 | 0.034 | -0.138 | 22.206 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | X | 33 | ALA | 0 | -0.061 | 0.115 | 24.639 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | X | 34 | PRO | 0 | 0.021 | -0.098 | 20.834 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | X | 35 | PHE | 0 | 0.092 | 0.018 | 20.621 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | X | 35 | PHE | 0 | -0.120 | 0.068 | 20.343 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | X | 36 | LEU | 0 | 0.143 | -0.103 | 20.822 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | X | 36 | LEU | 0 | -0.123 | 0.132 | 23.129 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | X | 37 | THR | 0 | -0.084 | -0.115 | 21.459 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | X | 37 | THR | 0 | -0.019 | 0.067 | 19.361 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | X | 38 | PRO | 0 | -0.058 | -0.114 | 22.670 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | X | 39 | PHE | 0 | 0.143 | 0.015 | 23.663 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | X | 39 | PHE | 0 | -0.078 | 0.145 | 25.736 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | X | 40 | ILE | 0 | -0.005 | -0.123 | 21.452 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | X | 40 | ILE | 0 | -0.078 | 0.081 | 18.608 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | X | 41 | ASN | 0 | 0.133 | -0.008 | 22.229 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | X | 41 | ASN | 0 | -0.067 | 0.046 | 21.030 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | X | 42 | PRO | 0 | 0.161 | -0.056 | 19.141 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | X | 43 | HIS | 0 | 0.062 | 0.003 | 17.124 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | X | 43 | HIS | 0 | -0.117 | 0.062 | 16.201 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | X | 44 | GLN | 0 | 0.135 | -0.077 | 16.257 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | X | 44 | GLN | 0 | -0.115 | 0.077 | 19.347 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | X | 45 | GLU | 0 | 0.127 | -0.118 | 16.324 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | X | 45 | GLU | -1 | -0.909 | -0.787 | 15.538 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | X | 46 | LYS | 0 | 0.064 | -0.088 | 12.877 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | X | 46 | LYS | 1 | 0.788 | 1.042 | 12.396 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | X | 47 | LEU | 0 | -0.004 | -0.133 | 11.710 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | X | 47 | LEU | 0 | -0.121 | 0.092 | 13.509 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | X | 48 | LEU | 0 | 0.189 | -0.086 | 11.871 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | X | 48 | LEU | 0 | -0.072 | 0.115 | 14.025 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | X | 49 | LYS | 0 | 0.117 | -0.070 | 11.161 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | X | 49 | LYS | 1 | 0.683 | 0.973 | 10.420 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | X | 50 | ILE | 0 | 0.058 | -0.083 | 7.481 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | X | 50 | ILE | 0 | -0.103 | 0.074 | 6.760 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | X | 51 | LEU | 0 | 0.131 | -0.062 | 7.370 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | X | 51 | LEU | 0 | -0.122 | 0.084 | 10.753 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | X | 52 | ALA | 0 | 0.108 | -0.086 | 9.488 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | X | 52 | ALA | 0 | -0.054 | 0.105 | 10.770 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | X | 53 | LYS | 0 | 0.075 | -0.076 | 6.013 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | X | 53 | LYS | 1 | 0.816 | 1.016 | 5.020 | -0.918 | -0.918 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | X | 54 | THR | 0 | 0.006 | -0.074 | 5.548 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | X | 54 | THR | 0 | -0.118 | 0.010 | 6.578 | -0.328 | -0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | X | 55 | TYR | 0 | -0.129 | -0.059 | 6.494 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | X | 55 | TYR | 0 | -0.090 | 0.053 | 10.886 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | X | 56 | GLY | 0 | 0.166 | -0.078 | 8.691 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | X | 57 | LEU | 0 | 0.010 | -0.045 | 9.254 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | X | 57 | LEU | 0 | -0.062 | 0.101 | 12.658 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | X | 58 | ALA | 0 | 0.108 | -0.104 | 11.345 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | X | 58 | ALA | 0 | -0.054 | 0.130 | 14.166 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | X | 59 | CYS | 0 | 0.110 | -0.110 | 13.247 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | X | 59 | CYS | 0 | -0.166 | 0.079 | 12.428 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | X | 60 | SER | 0 | 0.027 | -0.072 | 14.334 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | X | 60 | SER | 0 | -0.031 | 0.075 | 17.602 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | X | 61 | SER | 0 | 0.101 | -0.070 | 17.064 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | X | 61 | SER | 0 | -0.084 | 0.031 | 16.945 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | X | 62 | SER | 0 | 0.055 | -0.065 | 18.541 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | X | 62 | SER | 0 | 0.002 | 0.086 | 23.325 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | X | 63 | GLY | 0 | 0.004 | -0.086 | 20.573 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | X | 64 | GLU | 0 | -0.018 | -0.011 | 18.537 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | X | 64 | GLU | -1 | -0.850 | -0.795 | 14.903 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | X | 65 | PHE | 0 | 0.008 | -0.108 | 19.808 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | X | 65 | PHE | 0 | -0.090 | 0.063 | 20.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | X | 66 | VAL | 0 | 0.071 | -0.109 | 23.471 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | X | 66 | VAL | 0 | -0.076 | 0.106 | 26.269 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | X | 67 | SER | 0 | 0.067 | -0.077 | 23.496 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | X | 67 | SER | 0 | -0.038 | 0.069 | 23.585 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | X | 68 | SER | 0 | -0.040 | -0.097 | 23.502 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | X | 68 | SER | 0 | -0.027 | 0.062 | 24.523 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | X | 69 | GLU | 0 | 0.090 | -0.073 | 23.123 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | X | 69 | GLU | -1 | -1.061 | -0.893 | 23.851 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | X | 70 | TYR | 0 | 0.051 | -0.108 | 22.694 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | X | 70 | TYR | 0 | -0.141 | 0.060 | 25.247 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | X | 71 | VAL | 0 | 0.038 | -0.121 | 21.494 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | X | 71 | VAL | 0 | -0.063 | 0.128 | 19.466 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | X | 72 | ARG | 0 | 0.064 | -0.107 | 22.602 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | X | 72 | ARG | 1 | 0.828 | 1.048 | 23.786 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | X | 73 | VAL | 0 | 0.075 | -0.091 | 18.456 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | X | 73 | VAL | 0 | -0.101 | 0.078 | 16.334 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | X | 74 | LEU | 0 | 0.108 | -0.119 | 18.949 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | X | 74 | LEU | 0 | -0.058 | 0.142 | 19.848 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | X | 75 | LEU | 0 | 0.081 | -0.089 | 16.375 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | X | 75 | LEU | 0 | -0.083 | 0.077 | 14.509 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | X | 76 | TYR | 0 | 0.017 | -0.111 | 16.325 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | X | 76 | TYR | 0 | -0.042 | 0.110 | 17.051 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | X | 77 | PRO | 0 | 0.014 | -0.094 | 16.322 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | X | 78 | ASP | 0 | 0.112 | -0.004 | 17.329 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | X | 78 | ASP | -1 | -0.968 | -0.848 | 14.993 | 0.527 | 0.527 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | X | 79 | TYR | 0 | 0.054 | -0.078 | 17.926 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | X | 79 | TYR | 0 | -0.161 | 0.030 | 21.865 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | X | 80 | PHE | 0 | 0.073 | -0.072 | 20.596 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | X | 80 | PHE | 0 | -0.096 | 0.083 | 20.633 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | X | 81 | GLN | 0 | 0.016 | -0.130 | 20.219 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | X | 81 | GLN | 0 | -0.043 | 0.092 | 24.043 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | X | 82 | PRO | 0 | -0.063 | -0.114 | 19.697 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | X | 83 | GLU | 0 | 0.085 | -0.019 | 22.966 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | X | 83 | GLU | -1 | -0.997 | -0.841 | 26.728 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | X | 84 | PHE | 0 | 0.131 | -0.080 | 25.582 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | X | 84 | PHE | 0 | -0.108 | 0.079 | 25.344 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | X | 85 | SER | 0 | 0.017 | -0.116 | 26.562 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | X | 85 | SER | 0 | -0.019 | 0.092 | 29.367 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | X | 86 | ASP | 0 | 0.071 | -0.100 | 25.636 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | X | 86 | ASP | -1 | -0.926 | -0.815 | 24.895 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | X | 87 | PHE | 0 | 0.027 | -0.114 | 25.223 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | X | 87 | PHE | 0 | -0.088 | 0.092 | 20.632 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | X | 88 | GLU | 0 | 0.039 | -0.118 | 25.966 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | X | 88 | GLU | -1 | -0.953 | -0.831 | 28.943 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | X | 89 | ILE | 0 | 0.092 | -0.103 | 29.072 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | X | 89 | ILE | 0 | -0.086 | 0.095 | 25.709 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | X | 90 | SER | 0 | 0.103 | -0.069 | 30.216 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | X | 90 | SER | 0 | -0.099 | 0.010 | 34.786 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | X | 91 | LEU | 0 | 0.099 | -0.115 | 33.342 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | X | 91 | LEU | 0 | -0.119 | 0.130 | 32.979 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | X | 92 | GLN | 0 | 0.017 | -0.124 | 34.650 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | X | 92 | GLN | 0 | -0.059 | 0.090 | 37.138 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | X | 93 | GLU | 0 | 0.119 | -0.086 | 37.989 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | X | 93 | GLU | -1 | -0.905 | -0.797 | 40.375 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | X | 94 | ILE | 0 | 0.051 | -0.118 | 40.299 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | X | 94 | ILE | 0 | -0.126 | 0.077 | 38.793 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | X | 95 | VAL | 0 | 0.106 | -0.129 | 42.323 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | X | 95 | VAL | 0 | -0.114 | 0.122 | 44.460 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | X | 96 | TYR | 0 | 0.060 | -0.073 | 45.641 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | X | 96 | TYR | 0 | -0.141 | 0.079 | 49.005 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | X | 97 | SER | 0 | 0.142 | 0.006 | 44.592 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | X | 97 | SER | 0 | -0.099 | 0.004 | 46.030 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | X | 98 | ASN | 0 | 0.293 | -0.035 | 42.827 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | X | 98 | ASN | 0 | -0.141 | 0.057 | 39.695 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | X | 99 | LYS | 0 | -0.011 | -0.191 | 44.242 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | X | 99 | LYS | 1 | 0.760 | 1.014 | 44.699 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | X | 100 | PHE | 0 | 0.090 | -0.039 | 41.643 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | X | 100 | PHE | 0 | -0.149 | 0.035 | 41.456 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | X | 101 | GLU | 0 | 0.226 | -0.061 | 37.043 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | X | 101 | GLU | -1 | -0.941 | -0.809 | 34.349 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | X | 102 | TYR | 0 | 0.118 | -0.098 | 38.100 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | X | 102 | TYR | 0 | -0.080 | 0.091 | 37.235 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | X | 103 | LEU | 0 | 0.047 | -0.103 | 39.288 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | X | 103 | LEU | 0 | -0.082 | 0.085 | 43.189 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | X | 104 | THR | 0 | 0.056 | -0.039 | 39.809 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | X | 104 | THR | 0 | 0.046 | 0.095 | 38.139 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | X | 105 | HIS | 0 | 0.134 | -0.062 | 36.843 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | X | 105 | HIS | 0 | -0.055 | 0.118 | 33.071 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | X | 106 | ALA | 0 | 0.155 | -0.052 | 37.788 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | X | 106 | ALA | 0 | -0.151 | 0.043 | 40.969 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | X | 107 | LYS | 0 | -0.047 | -0.165 | 40.511 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | X | 107 | LYS | 1 | 0.788 | 1.047 | 42.518 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | X | 108 | ILE | 0 | 0.168 | -0.049 | 38.379 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | X | 108 | ILE | 0 | -0.106 | 0.118 | 36.431 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | X | 109 | LEU | 0 | 0.065 | -0.131 | 37.799 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | X | 109 | LEU | 0 | -0.110 | 0.082 | 34.564 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | X | 110 | GLY | 0 | 0.085 | -0.056 | 38.543 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | X | 111 | THR | 0 | -0.150 | -0.055 | 42.201 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | X | 111 | THR | 0 | -0.112 | 0.081 | 43.294 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | X | 112 | VAL | 0 | 0.129 | -0.128 | 44.535 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | X | 112 | VAL | 0 | -0.082 | 0.103 | 47.242 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | X | 113 | ILE | 0 | 0.005 | -0.088 | 47.518 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | X | 113 | ILE | 0 | -0.147 | 0.056 | 48.338 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | X | 114 | ASN | 0 | 0.104 | -0.096 | 46.977 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | X | 114 | ASN | 0 | -0.089 | 0.093 | 47.618 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | X | 115 | GLN | 0 | 0.150 | -0.062 | 45.804 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | X | 115 | GLN | 0 | -0.086 | 0.087 | 45.392 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | X | 116 | LEU | 0 | -0.003 | -0.124 | 41.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | X | 116 | LEU | 0 | -0.059 | 0.130 | 40.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | X | 117 | GLY | 0 | 0.121 | -0.046 | 40.474 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | X | 118 | ILE | 0 | 0.023 | -0.048 | 37.317 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | X | 118 | ILE | 0 | -0.073 | 0.111 | 35.213 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | X | 119 | GLU | 0 | 0.124 | -0.109 | 33.282 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | X | 119 | GLU | -1 | -0.974 | -0.848 | 32.359 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | X | 120 | ARG | 0 | 0.116 | -0.033 | 30.998 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | X | 120 | ARG | 1 | 0.886 | 1.045 | 26.307 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | X | 121 | LYS | 0 | 0.065 | -0.084 | 28.139 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | X | 121 | LYS | 1 | 0.782 | 1.023 | 23.537 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | X | 122 | LEU | 0 | 0.036 | -0.104 | 28.596 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | X | 122 | LEU | 0 | -0.079 | 0.106 | 30.977 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | X | 123 | PHE | 0 | 0.007 | -0.121 | 30.820 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | X | 123 | PHE | 0 | -0.059 | 0.092 | 32.626 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | X | 124 | GLY | 0 | 0.037 | -0.106 | 28.436 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | X | 125 | ASP | 0 | 0.069 | -0.039 | 28.927 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | X | 125 | ASP | -1 | -0.800 | -0.767 | 27.468 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | X | 126 | ILE | 0 | 0.033 | -0.082 | 30.236 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | X | 126 | ILE | 0 | -0.102 | 0.075 | 33.906 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | X | 127 | LEU | 0 | 0.069 | -0.118 | 33.491 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | X | 127 | LEU | 0 | -0.117 | 0.113 | 30.577 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | X | 128 | VAL | 0 | 0.085 | -0.133 | 34.656 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | X | 128 | VAL | 0 | -0.071 | 0.068 | 37.534 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | X | 129 | ASP | 0 | 0.022 | -0.077 | 36.593 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | X | 129 | ASP | -1 | -0.966 | -0.836 | 35.591 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | X | 130 | GLU | 0 | -0.039 | -0.132 | 38.662 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | X | 130 | GLU | -1 | -0.893 | -0.824 | 39.275 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | X | 131 | GLU | 0 | 0.098 | -0.105 | 42.089 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | X | 131 | GLU | -1 | -0.926 | -0.819 | 44.552 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | X | 132 | ARG | 0 | 0.059 | -0.077 | 41.991 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | X | 132 | ARG | 1 | 0.801 | 1.006 | 40.906 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | X | 133 | ALA | 0 | 0.220 | -0.085 | 39.164 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | X | 133 | ALA | 0 | -0.140 | 0.101 | 39.947 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | X | 134 | GLN | 0 | 0.011 | -0.137 | 36.671 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | X | 134 | GLN | 0 | -0.026 | 0.107 | 35.757 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | X | 135 | ILE | 0 | 0.057 | -0.088 | 34.499 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | X | 135 | ILE | 0 | -0.109 | 0.083 | 34.037 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | X | 136 | MET | 0 | 0.128 | -0.090 | 30.764 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | X | 136 | MET | 0 | -0.095 | 0.109 | 28.386 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | X | 137 | ILE | 0 | 0.020 | -0.101 | 31.911 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | X | 137 | ILE | 0 | -0.074 | 0.104 | 34.366 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | X | 138 | ASN | 0 | 0.259 | -0.023 | 30.795 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | X | 138 | ASN | 0 | -0.130 | 0.054 | 30.346 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | X | 139 | GLN | 0 | 0.086 | -0.153 | 31.608 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | X | 139 | GLN | 0 | -0.041 | 0.122 | 32.474 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | X | 140 | GLN | 0 | 0.018 | -0.039 | 33.065 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | X | 140 | GLN | 0 | -0.150 | 0.052 | 31.030 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | X | 141 | PHE | 0 | 0.021 | -0.111 | 34.744 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | X | 141 | PHE | 0 | -0.120 | 0.071 | 32.818 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | X | 142 | LEU | 0 | 0.210 | -0.083 | 36.666 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | X | 142 | LEU | 0 | -0.088 | 0.118 | 37.686 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | X | 143 | LEU | 0 | 0.024 | -0.123 | 38.624 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | X | 143 | LEU | 0 | -0.053 | 0.121 | 41.955 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | X | 144 | LEU | 0 | 0.178 | -0.043 | 39.998 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | X | 144 | LEU | 0 | -0.122 | 0.085 | 38.981 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | X | 145 | PHE | 0 | 0.019 | -0.109 | 39.428 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | X | 145 | PHE | 0 | -0.091 | 0.079 | 35.307 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | X | 146 | GLN | 0 | 0.146 | -0.107 | 40.697 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | X | 146 | GLN | 0 | -0.085 | 0.091 | 41.259 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | X | 147 | ASP | 0 | 0.010 | -0.151 | 43.298 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | X | 147 | ASP | -1 | -0.981 | -0.833 | 45.484 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | X | 148 | GLY | 0 | -0.060 | -0.136 | 44.109 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | X | 149 | LEU | 0 | 0.129 | -0.002 | 42.938 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | X | 149 | LEU | 0 | -0.104 | 0.103 | 40.557 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | X | 150 | LYS | 0 | 0.045 | -0.119 | 44.371 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | X | 150 | LYS | 1 | 0.801 | 1.059 | 46.968 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | X | 151 | LYS | 0 | 0.056 | -0.072 | 47.329 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | X | 151 | LYS | 1 | 0.834 | 1.021 | 49.525 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | X | 152 | ILE | 0 | 0.135 | -0.142 | 45.416 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | X | 152 | ILE | 0 | -0.078 | 0.214 | 43.482 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | X | 153 | GLY | 0 | 0.040 | -0.111 | 46.774 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | X | 154 | ARG | 0 | 0.001 | -0.036 | 49.098 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | X | 154 | ARG | 1 | 0.902 | 1.039 | 51.781 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | X | 155 | ILE | 0 | -0.056 | -0.106 | 50.425 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | X | 155 | ILE | 0 | -0.064 | 0.132 | 47.718 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | X | 156 | PRO | 0 | 0.017 | -0.115 | 49.594 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | X | 157 | VAL | 0 | 0.052 | -0.002 | 46.319 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | X | 157 | VAL | 0 | -0.040 | 0.123 | 44.814 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | X | 158 | SER | 0 | 0.037 | -0.085 | 46.734 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | X | 158 | SER | 0 | -0.008 | 0.084 | 47.617 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | X | 159 | LEU | 0 | 0.045 | -0.113 | 42.319 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | X | 159 | LEU | 0 | -0.067 | 0.105 | 39.986 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | X | 160 | GLU | 0 | 0.058 | -0.133 | 42.372 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | X | 160 | GLU | -1 | -0.911 | -0.808 | 43.295 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | X | 161 | GLU | 0 | 0.082 | -0.048 | 39.035 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | X | 161 | GLU | -1 | -0.915 | -0.804 | 36.614 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | X | 162 | ARG | 0 | 0.005 | -0.130 | 37.995 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | X | 162 | ARG | 1 | 0.720 | 0.995 | 37.971 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | X | 163 | PRO | 0 | 0.037 | -0.100 | 35.675 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | X | 164 | PHE | 0 | 0.156 | 0.027 | 31.413 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | X | 164 | PHE | 0 | -0.049 | 0.106 | 30.346 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | X | 165 | THR | 0 | 0.008 | -0.053 | 32.542 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | X | 165 | THR | 0 | -0.057 | 0.022 | 34.615 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | X | 166 | GLU | 0 | 0.024 | -0.070 | 34.296 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | X | 166 | GLU | -1 | -0.935 | -0.845 | 37.752 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | X | 167 | LYS | 0 | 0.140 | -0.074 | 32.887 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | X | 167 | LYS | 1 | 0.722 | 0.998 | 29.659 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | X | 168 | ILE | 0 | 0.071 | -0.106 | 34.126 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | X | 168 | ILE | 0 | -0.083 | 0.089 | 35.131 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | X | 169 | ASP | 0 | -0.117 | -0.137 | 31.062 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | X | 169 | ASP | -1 | -0.789 | -0.892 | 33.186 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |