FMODB ID: 7G77K
Calculation Name: 2WZP-P-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2WZP
Chain ID: P
UniProt ID: D3WAD3
Base Structure: X-ray
Registration Date: 2023-06-20
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 298 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3952962.965559 |
---|---|
FMO2-HF: Nuclear repulsion | 3833459.078462 |
FMO2-HF: Total energy | -119503.887097 |
FMO2-MP2: Total energy | -119856.682963 |
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(P:1:GLY)
Summations of interaction energy for
fragment #1(P:1: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. |
-1.61 | -0.246 | 6.035 | -4.248 | -3.152 | -0.021 |
Interaction energy analysis for fragmet #1(P:1: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 | P | 3 | ARG | 1 | 0.924 | 0.970 | 3.858 | -0.334 | 0.379 | -0.004 | -0.338 | -0.371 | 0.001 |
4 | P | 4 | GLN | 0 | 0.018 | 0.026 | 5.447 | 0.713 | 0.713 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | P | 5 | TYR | 0 | -0.002 | -0.007 | 8.364 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | P | 6 | LYS | 1 | 0.790 | 0.878 | 9.576 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | P | 7 | ILE | 0 | 0.012 | 0.020 | 14.671 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | P | 8 | HIS | 1 | 0.784 | 0.856 | 15.541 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | P | 9 | THR | 0 | 0.024 | -0.011 | 20.379 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | P | 10 | ASN | 0 | -0.063 | -0.049 | 23.698 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | P | 11 | LEU | 0 | 0.006 | 0.018 | 18.843 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | P | 12 | ASP | -1 | -0.826 | -0.895 | 21.429 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | P | 13 | GLY | 0 | -0.002 | 0.012 | 23.545 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | P | 14 | THR | 0 | -0.031 | -0.040 | 25.218 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | P | 15 | ASP | -1 | -0.846 | -0.900 | 27.308 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | P | 16 | ASP | -1 | -0.760 | -0.854 | 20.978 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | P | 17 | LYS | 1 | 0.840 | 0.910 | 22.342 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | P | 18 | VAL | 0 | -0.014 | -0.004 | 16.565 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | P | 19 | TRP | 0 | -0.031 | -0.022 | 18.437 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | P | 20 | ASP | -1 | -0.720 | -0.849 | 11.800 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | P | 21 | VAL | 0 | 0.008 | 0.008 | 14.824 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | P | 22 | THR | 0 | -0.051 | -0.020 | 8.771 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | P | 23 | ASN | 0 | -0.059 | -0.061 | 8.800 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | P | 24 | GLY | 0 | 0.001 | 0.017 | 12.437 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | P | 25 | LYS | 1 | 0.778 | 0.859 | 16.115 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | P | 26 | VAL | 0 | 0.026 | 0.022 | 18.714 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | P | 27 | ARG | 1 | 0.781 | 0.894 | 14.144 | -0.313 | -0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | P | 28 | PHE | 0 | 0.058 | 0.028 | 15.921 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | P | 29 | TYR | 0 | -0.063 | -0.028 | 13.812 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | P | 30 | GLN | 0 | -0.023 | -0.015 | 16.041 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | P | 31 | PRO | 0 | 0.051 | 0.042 | 15.584 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | P | 32 | SER | 0 | -0.003 | 0.015 | 18.648 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | P | 33 | ASN | 0 | 0.024 | -0.004 | 20.463 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | P | 34 | LEU | 0 | 0.044 | 0.030 | 14.599 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | P | 35 | GLY | 0 | -0.017 | -0.002 | 18.642 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | P | 36 | LEU | 0 | -0.030 | -0.021 | 20.836 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | P | 37 | GLN | 0 | 0.035 | 0.014 | 24.304 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | P | 38 | SER | 0 | -0.028 | -0.045 | 27.964 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | P | 39 | THR | 0 | 0.026 | 0.017 | 30.375 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | P | 40 | ASN | 0 | 0.051 | 0.000 | 33.157 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | P | 41 | ASN | 0 | -0.066 | -0.041 | 36.594 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | P | 42 | ILE | 0 | 0.006 | 0.024 | 37.122 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | P | 43 | TRP | 0 | 0.036 | 0.028 | 41.045 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | P | 44 | GLN | 0 | 0.003 | -0.010 | 41.246 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | P | 45 | SER | 0 | -0.005 | 0.008 | 45.514 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | P | 46 | ASN | 0 | -0.004 | -0.010 | 49.106 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | P | 47 | GLY | 0 | 0.027 | 0.017 | 45.564 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | P | 48 | ILE | 0 | -0.030 | -0.019 | 44.672 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | P | 49 | GLY | 0 | 0.003 | -0.005 | 42.368 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | P | 50 | VAL | 0 | -0.003 | 0.000 | 43.108 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | P | 51 | MET | 0 | -0.032 | -0.021 | 36.446 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | P | 52 | GLY | 0 | 0.058 | 0.034 | 40.325 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | P | 53 | THR | 0 | -0.021 | -0.010 | 38.601 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | P | 54 | ARG | 1 | 0.938 | 0.981 | 28.161 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | P | 55 | SER | 0 | 0.001 | 0.005 | 33.228 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | P | 56 | ILE | 0 | 0.008 | 0.022 | 26.673 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | P | 57 | THR | 0 | -0.036 | -0.022 | 28.930 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | P | 58 | GLN | 0 | 0.003 | -0.002 | 23.100 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | P | 59 | PRO | 0 | -0.076 | -0.014 | 23.266 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | P | 60 | GLN | 0 | 0.006 | -0.011 | 24.716 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | P | 61 | ILE | 0 | -0.069 | -0.035 | 19.497 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | P | 62 | GLU | -1 | -0.784 | -0.868 | 22.914 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | P | 63 | PHE | 0 | 0.006 | -0.020 | 16.301 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | P | 64 | LYS | 1 | 0.910 | 0.946 | 20.219 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | P | 65 | LEU | 0 | 0.011 | 0.011 | 20.063 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | P | 66 | GLU | -1 | -0.836 | -0.907 | 19.907 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | P | 67 | THR | 0 | -0.022 | -0.033 | 20.737 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | P | 68 | PHE | 0 | -0.056 | -0.038 | 18.721 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | P | 69 | GLY | 0 | 0.045 | 0.030 | 21.772 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | P | 70 | GLU | -1 | -0.850 | -0.922 | 23.729 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | P | 71 | SER | 0 | -0.025 | -0.004 | 26.982 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | P | 72 | LEU | 0 | 0.070 | 0.036 | 29.425 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | P | 73 | GLU | -1 | -0.946 | -0.953 | 31.514 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | P | 74 | GLU | -1 | -0.784 | -0.878 | 25.032 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | P | 75 | ASN | 0 | 0.033 | 0.007 | 25.661 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | P | 76 | TYR | 0 | -0.005 | -0.008 | 27.838 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | P | 77 | GLN | 0 | -0.039 | -0.031 | 29.002 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | P | 78 | LEU | 0 | -0.031 | -0.015 | 22.701 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | P | 79 | MET | 0 | 0.016 | 0.011 | 25.685 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | P | 80 | LYS | 1 | 0.839 | 0.931 | 27.306 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | P | 81 | ASP | -1 | -0.802 | -0.889 | 27.103 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | P | 82 | PHE | 0 | 0.020 | 0.019 | 20.449 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | P | 83 | VAL | 0 | 0.029 | 0.009 | 25.184 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | P | 84 | ASN | 0 | -0.071 | -0.057 | 27.792 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | P | 85 | ASP | -1 | -0.778 | -0.854 | 25.411 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | P | 86 | ILE | 0 | -0.031 | -0.008 | 23.229 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | P | 87 | LEU | 0 | -0.018 | -0.008 | 26.981 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | P | 88 | SER | 0 | -0.102 | -0.045 | 29.286 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | P | 89 | LYS | 1 | 0.792 | 0.886 | 27.420 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | P | 90 | LYS | 1 | 0.805 | 0.883 | 30.483 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | P | 91 | PHE | 0 | -0.023 | -0.001 | 25.624 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | P | 92 | VAL | 0 | 0.001 | 0.011 | 22.669 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | P | 93 | THR | 0 | 0.009 | -0.013 | 19.699 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | P | 94 | LEU | 0 | -0.052 | -0.014 | 15.885 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | P | 95 | GLU | -1 | -0.763 | -0.842 | 12.841 | -0.361 | -0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | P | 96 | TYR | 0 | -0.033 | -0.037 | 10.756 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | P | 97 | GLN | 0 | 0.008 | -0.003 | 7.196 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | P | 98 | THR | 0 | -0.021 | -0.017 | 5.339 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | P | 99 | GLU | -1 | -0.914 | -0.958 | 2.380 | -1.805 | -1.202 | 6.040 | -3.898 | -2.745 | -0.022 |
100 | P | 100 | ILE | 0 | -0.027 | -0.006 | 4.768 | 0.384 | 0.432 | -0.001 | -0.012 | -0.036 | 0.000 |
101 | P | 101 | PHE | 0 | -0.018 | -0.005 | 8.406 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | P | 102 | GLN | 0 | -0.013 | -0.019 | 9.211 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | P | 103 | VAL | 0 | -0.039 | -0.005 | 11.698 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | P | 104 | TYR | 0 | -0.002 | -0.025 | 14.839 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | P | 105 | ALA | 0 | -0.006 | -0.007 | 17.628 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | P | 106 | ASP | -1 | -0.769 | -0.827 | 20.187 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | P | 107 | LEU | 0 | -0.028 | -0.023 | 20.653 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | P | 108 | ALA | 0 | 0.065 | 0.026 | 25.017 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | P | 109 | LEU | 0 | -0.036 | -0.012 | 26.696 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | P | 110 | ALA | 0 | 0.001 | 0.014 | 28.472 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | P | 111 | ASP | -1 | -0.886 | -0.931 | 29.158 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | P | 112 | VAL | 0 | 0.018 | -0.011 | 27.102 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | P | 113 | THR | 0 | -0.066 | -0.045 | 28.790 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | P | 114 | LYS | 1 | 0.859 | 0.918 | 29.533 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | P | 115 | THR | 0 | -0.067 | -0.038 | 31.336 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | P | 116 | GLU | -1 | -0.856 | -0.920 | 33.175 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | P | 117 | GLY | 0 | -0.006 | -0.007 | 32.540 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | P | 118 | TYR | 0 | -0.055 | -0.030 | 29.753 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | P | 119 | GLY | 0 | 0.056 | 0.047 | 27.540 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | P | 120 | LYS | 1 | 0.914 | 0.936 | 24.779 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | P | 121 | ASN | 0 | -0.055 | -0.053 | 27.266 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | P | 122 | GLY | 0 | 0.034 | 0.014 | 29.422 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | P | 123 | THR | 0 | -0.060 | -0.007 | 24.126 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | P | 124 | PHE | 0 | 0.020 | -0.003 | 25.768 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | P | 125 | SER | 0 | -0.046 | -0.059 | 23.708 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | P | 126 | GLU | -1 | -0.750 | -0.825 | 24.808 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | P | 127 | LYS | 1 | 0.778 | 0.872 | 24.810 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | P | 128 | ILE | 0 | 0.000 | -0.003 | 22.675 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | P | 129 | THR | 0 | -0.017 | -0.023 | 24.136 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | P | 130 | PHE | 0 | -0.029 | -0.011 | 22.231 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | P | 131 | ASP | -1 | -0.790 | -0.881 | 25.764 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | P | 132 | ILE | 0 | -0.050 | -0.040 | 23.203 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | P | 133 | ILE | 0 | 0.000 | 0.015 | 25.938 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | P | 134 | THR | 0 | -0.063 | -0.042 | 23.678 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | P | 135 | LYS | 1 | 0.832 | 0.927 | 19.454 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | P | 136 | TRP | 0 | -0.037 | -0.023 | 16.362 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | P | 137 | TYR | 0 | 0.005 | -0.023 | 19.147 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | P | 138 | THR | 0 | 0.013 | -0.003 | 16.693 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | P | 139 | TYR | 0 | 0.021 | 0.006 | 19.452 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | P | 140 | GLU | -1 | -0.854 | -0.908 | 20.843 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | P | 141 | ASN | 0 | -0.072 | -0.043 | 23.392 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | P | 142 | LEU | 0 | -0.004 | 0.008 | 26.210 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | P | 143 | THR | 0 | -0.025 | -0.031 | 29.052 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | P | 144 | PHE | 0 | -0.025 | -0.001 | 31.472 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | P | 145 | ASP | -1 | -0.799 | -0.925 | 35.697 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | P | 146 | LYS | 1 | 0.816 | 0.899 | 38.769 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | P | 147 | ILE | 0 | -0.026 | -0.029 | 40.205 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | P | 148 | GLN | 0 | -0.038 | -0.012 | 43.080 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | P | 149 | ASN | 0 | 0.028 | 0.011 | 45.660 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | P | 150 | GLY | 0 | 0.022 | 0.014 | 47.575 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | P | 151 | LYS | 1 | 0.932 | 0.951 | 50.526 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | P | 152 | VAL | 0 | 0.026 | 0.017 | 52.661 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | P | 153 | ILE | 0 | 0.019 | 0.001 | 54.640 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | P | 154 | ALA | 0 | 0.014 | 0.000 | 57.307 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | P | 155 | GLY | 0 | 0.017 | 0.006 | 58.756 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | P | 156 | MET | 0 | -0.006 | -0.001 | 55.512 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | P | 157 | SER | 0 | -0.007 | 0.020 | 52.920 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | P | 158 | LYS | 1 | 0.879 | 0.946 | 47.760 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | P | 159 | ILE | 0 | 0.009 | 0.003 | 51.923 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | P | 160 | TYR | 0 | 0.011 | 0.008 | 52.209 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | P | 161 | GLY | 0 | 0.034 | 0.032 | 57.014 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | P | 162 | GLY | 0 | -0.020 | -0.020 | 60.135 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | P | 163 | THR | 0 | 0.017 | 0.006 | 63.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | P | 164 | ALA | 0 | 0.042 | 0.024 | 63.456 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | P | 165 | PRO | 0 | -0.010 | -0.008 | 60.393 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | P | 166 | GLY | 0 | 0.031 | 0.035 | 60.059 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | P | 167 | ASN | 0 | -0.088 | -0.062 | 58.491 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | P | 168 | TYR | 0 | -0.005 | 0.009 | 51.947 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | P | 169 | LYS | 1 | 0.913 | 0.943 | 57.078 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | P | 170 | TYR | 0 | 0.077 | 0.036 | 51.790 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | P | 171 | ILE | 0 | 0.037 | 0.015 | 56.598 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | P | 172 | LYS | 1 | 0.973 | 0.968 | 56.686 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | P | 173 | GLY | 0 | 0.048 | 0.031 | 55.227 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | P | 174 | THR | 0 | -0.010 | -0.003 | 55.632 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | P | 175 | SER | 0 | -0.057 | -0.035 | 53.482 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | P | 176 | TYR | 0 | -0.015 | 0.013 | 48.438 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | P | 177 | THR | 0 | 0.009 | 0.003 | 49.628 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | P | 178 | TYR | 0 | 0.050 | 0.007 | 45.580 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | P | 179 | TYR | 0 | -0.024 | -0.009 | 47.817 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | P | 180 | GLY | 0 | 0.042 | 0.013 | 45.598 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | P | 181 | GLU | -1 | -0.854 | -0.899 | 39.553 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | P | 182 | SER | 0 | 0.012 | 0.008 | 42.019 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | P | 183 | ASP | -1 | -0.751 | -0.858 | 40.117 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | P | 184 | ILE | 0 | 0.010 | 0.002 | 40.447 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | P | 185 | ASP | -1 | -0.777 | -0.855 | 40.348 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | P | 186 | ARG | 1 | 0.840 | 0.907 | 36.066 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | P | 187 | LEU | 0 | -0.019 | -0.001 | 35.712 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | P | 188 | SER | 0 | -0.086 | -0.043 | 36.626 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | P | 189 | ARG | 1 | 0.756 | 0.823 | 36.643 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | P | 190 | TRP | 0 | 0.036 | 0.027 | 28.690 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | P | 191 | ASP | -1 | -0.818 | -0.913 | 31.270 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | P | 192 | ILE | 0 | -0.010 | 0.004 | 30.378 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | P | 193 | LYS | 1 | 0.829 | 0.901 | 27.681 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | P | 194 | GLU | -1 | -0.874 | -0.921 | 22.826 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | P | 195 | GLU | -1 | -0.823 | -0.894 | 25.510 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | P | 196 | ILE | 0 | -0.036 | -0.026 | 25.547 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | P | 197 | PHE | 0 | -0.028 | -0.014 | 22.948 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | P | 198 | SER | 0 | -0.046 | -0.019 | 27.931 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | P | 199 | PHE | 0 | 0.008 | -0.002 | 28.585 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | P | 200 | MET | 0 | 0.012 | 0.024 | 30.218 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | P | 201 | GLY | 0 | 0.044 | 0.011 | 31.544 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | P | 202 | ILE | 0 | -0.051 | -0.012 | 33.809 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | P | 203 | LEU | 0 | 0.013 | 0.004 | 36.631 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | P | 204 | TYR | 0 | 0.061 | 0.024 | 37.323 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | P | 205 | PRO | 0 | 0.046 | 0.014 | 42.202 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | P | 206 | LYS | 1 | 0.863 | 0.960 | 45.368 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | P | 207 | LEU | 0 | -0.006 | -0.001 | 47.901 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | P | 208 | PRO | 0 | 0.050 | 0.009 | 51.484 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | P | 209 | LYS | 1 | 0.904 | 0.953 | 53.607 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | P | 210 | THR | 0 | 0.008 | 0.021 | 51.517 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | P | 211 | PRO | 0 | 0.003 | 0.009 | 49.867 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | P | 212 | ALA | 0 | 0.000 | -0.012 | 45.903 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | P | 213 | GLY | 0 | 0.020 | 0.000 | 42.804 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | P | 214 | VAL | 0 | 0.001 | 0.006 | 37.985 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | P | 215 | ARG | 1 | 0.805 | 0.869 | 40.741 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | P | 216 | PHE | 0 | 0.010 | 0.002 | 34.439 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | P | 217 | LEU | 0 | -0.028 | -0.006 | 39.122 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | P | 218 | ASP | -1 | -0.719 | -0.859 | 38.306 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | P | 219 | ASP | -1 | -0.930 | -0.978 | 36.699 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | P | 220 | ILE | 0 | -0.098 | -0.041 | 38.509 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | P | 221 | GLY | 0 | -0.009 | 0.002 | 42.053 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | P | 222 | ASN | 0 | -0.101 | -0.061 | 43.474 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | P | 223 | GLU | -1 | -0.821 | -0.891 | 42.872 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | P | 224 | TYR | 0 | -0.024 | -0.020 | 35.827 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | P | 225 | THR | 0 | -0.038 | -0.038 | 38.859 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | P | 226 | ALA | 0 | -0.005 | -0.004 | 41.665 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | P | 227 | ILE | 0 | 0.002 | 0.016 | 38.029 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | P | 228 | VAL | 0 | -0.022 | -0.008 | 42.243 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | P | 229 | PHE | 0 | 0.034 | 0.023 | 42.318 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | P | 230 | LYS | 1 | 0.815 | 0.879 | 47.807 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | P | 231 | THR | 0 | 0.023 | 0.004 | 48.775 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | P | 232 | GLU | -1 | -0.826 | -0.895 | 51.701 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | P | 233 | GLN | 0 | -0.035 | -0.015 | 52.982 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | P | 234 | VAL | 0 | 0.000 | 0.010 | 49.774 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | P | 235 | GLN | 0 | 0.003 | 0.008 | 46.157 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | P | 236 | ASP | -1 | -0.817 | -0.896 | 45.401 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | P | 237 | TYR | 0 | -0.033 | -0.015 | 39.475 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | P | 238 | ILE | 0 | -0.014 | -0.013 | 41.197 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | P | 239 | LEU | 0 | -0.015 | 0.008 | 35.994 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | P | 240 | ILE | 0 | -0.017 | -0.017 | 36.009 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | P | 241 | ASN | 0 | 0.028 | -0.011 | 32.207 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | P | 242 | THR | 0 | 0.037 | 0.024 | 33.252 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | P | 243 | ASP | -1 | -0.766 | -0.883 | 28.940 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | P | 244 | VAL | 0 | 0.003 | -0.013 | 32.112 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | P | 245 | ASN | 0 | -0.041 | -0.011 | 30.711 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | P | 246 | ASP | -1 | -0.847 | -0.914 | 32.596 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | P | 247 | GLU | -1 | -0.779 | -0.785 | 34.758 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | P | 248 | THR | 0 | -0.057 | -0.033 | 36.829 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | P | 249 | TYR | 0 | 0.007 | -0.033 | 38.517 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | P | 250 | GLN | 0 | 0.024 | 0.024 | 40.026 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | P | 251 | GLY | 0 | 0.021 | 0.018 | 42.148 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | P | 252 | TRP | 0 | -0.014 | -0.012 | 40.185 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | P | 253 | LYS | 1 | 0.819 | 0.880 | 44.828 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | P | 254 | GLY | 0 | 0.019 | 0.019 | 46.655 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | P | 255 | THR | 0 | -0.016 | -0.013 | 43.765 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | P | 256 | THR | 0 | -0.036 | -0.014 | 45.267 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | P | 257 | ALA | 0 | 0.029 | 0.018 | 43.574 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | P | 258 | LEU | 0 | -0.010 | -0.009 | 45.478 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | P | 259 | ASN | 0 | 0.021 | 0.005 | 44.961 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | P | 260 | LEU | 0 | 0.002 | -0.010 | 44.949 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | P | 261 | PHE | 0 | 0.052 | 0.031 | 43.878 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | P | 262 | PRO | 0 | -0.035 | -0.032 | 46.142 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | P | 263 | VAL | 0 | -0.051 | -0.016 | 49.016 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | P | 264 | MET | 0 | -0.006 | 0.004 | 42.493 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | P | 265 | ASP | -1 | -0.856 | -0.923 | 47.437 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | P | 266 | PHE | 0 | -0.027 | -0.035 | 47.290 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | P | 267 | GLU | -1 | -0.977 | -0.969 | 47.632 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | P | 268 | ARG | 1 | 0.818 | 0.877 | 46.531 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | P | 269 | TYR | 0 | -0.066 | -0.023 | 38.594 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | P | 270 | ARG | 1 | 0.934 | 0.965 | 43.887 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | P | 271 | THR | 0 | -0.032 | -0.027 | 39.026 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | P | 272 | ARG | 1 | 0.887 | 0.925 | 35.458 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | P | 273 | ILE | 0 | -0.044 | -0.013 | 33.929 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | P | 274 | ILE | 0 | -0.022 | -0.010 | 32.483 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | P | 275 | GLU | -1 | -0.883 | -0.938 | 32.662 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | P | 276 | LYS | 1 | 0.857 | 0.925 | 27.850 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | P | 277 | GLY | 0 | 0.052 | 0.030 | 33.547 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | P | 278 | GLN | 0 | -0.041 | -0.016 | 34.551 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | P | 279 | MET | 0 | -0.025 | 0.018 | 35.249 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | P | 280 | GLU | -1 | -0.813 | -0.888 | 37.111 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | P | 281 | LEU | 0 | 0.025 | 0.008 | 37.730 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | P | 282 | ILE | 0 | -0.030 | -0.014 | 41.471 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | P | 283 | ASN | 0 | -0.032 | -0.034 | 45.060 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | P | 284 | LEU | 0 | 0.026 | 0.024 | 40.517 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | P | 285 | SER | 0 | -0.121 | -0.073 | 43.636 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | P | 286 | LYS | 1 | 0.838 | 0.912 | 35.291 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | P | 287 | ALA | 0 | -0.001 | -0.001 | 36.580 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | P | 288 | GLU | -1 | -0.772 | -0.841 | 32.712 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | P | 289 | PHE | 0 | 0.022 | -0.009 | 30.230 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | P | 290 | LYS | 1 | 0.830 | 0.903 | 24.254 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | P | 291 | ILE | 0 | 0.013 | 0.012 | 25.899 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | P | 292 | LYS | 1 | 0.837 | 0.921 | 24.264 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | P | 293 | ARG | 1 | 0.840 | 0.892 | 21.350 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | P | 294 | LYS | 1 | 0.802 | 0.880 | 22.578 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | P | 295 | ALA | 0 | 0.026 | 0.013 | 19.071 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | P | 296 | ASP | -1 | -0.804 | -0.901 | 20.097 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | P | 297 | PHE | 0 | -0.050 | -0.033 | 17.252 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | P | 298 | VAL | 0 | 0.027 | 0.031 | 13.433 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |