![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: N1JYQ
Calculation Name: 2G6T-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2G6T
Chain ID: A
UniProt ID: Q97H28
Base Structure: X-ray
Registration Date: 2023-06-19
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 | 306 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4774435.492742 |
---|---|
FMO2-HF: Nuclear repulsion | 4645951.535589 |
FMO2-HF: Total energy | -128483.957153 |
FMO2-MP2: Total energy | -128854.888064 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F020705/ligand_interaction/ligand_F020705.png)
Ligand Interaction
![ligand interaction](./Kdata/F020705/ligand_interaction/ligand_interaction_F020705.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(A:1:MET)
Summations of interaction energy for
fragment #1(A:1:MET)
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. |
-21.213 | -11.673 | 6.736 | -5.272 | -11.002 | -0.058 |
Interaction energy analysis for fragmet #1(A:1:MET)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 3 | LYS | 1 | 0.959 | 0.982 | 2.598 | -5.416 | -2.693 | 1.319 | -1.060 | -2.982 | -0.009 |
4 | A | 4 | CYS | 0 | -0.044 | -0.019 | 4.596 | 0.448 | 0.531 | -0.001 | -0.009 | -0.073 | 0.000 |
5 | A | 5 | LEU | 0 | 0.049 | 0.051 | 7.679 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | ILE | 0 | -0.001 | 0.004 | 10.797 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | TRP | 0 | 0.035 | 0.025 | 13.274 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | GLY | 0 | 0.003 | -0.002 | 16.914 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | VAL | 0 | 0.010 | -0.012 | 16.778 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | ASN | 0 | 0.015 | -0.003 | 19.286 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | ASP | -1 | -0.855 | -0.920 | 21.093 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | GLU | -1 | -0.778 | -0.887 | 19.904 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | TYR | 0 | -0.029 | -0.034 | 13.699 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | THR | 0 | -0.022 | -0.014 | 17.188 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | LEU | 0 | -0.045 | -0.018 | 19.322 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | ALA | 0 | -0.037 | -0.024 | 15.679 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | TYR | 0 | 0.038 | 0.020 | 14.197 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | ASP | -1 | -0.850 | -0.922 | 13.933 | -0.384 | -0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | LYS | 1 | 0.820 | 0.905 | 13.765 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | LEU | 0 | 0.020 | 0.017 | 10.314 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | LEU | 0 | 0.024 | 0.023 | 9.484 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | PHE | 0 | 0.010 | 0.007 | 10.304 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | GLU | -1 | -0.724 | -0.855 | 7.552 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | ILE | 0 | -0.017 | -0.004 | 5.632 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | SER | 0 | -0.111 | -0.054 | 6.507 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | LYS | 1 | 0.714 | 0.839 | 7.766 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | GLY | 0 | -0.011 | 0.006 | 4.254 | 0.475 | 0.686 | 0.001 | -0.046 | -0.165 | 0.000 |
28 | A | 28 | ASN | 0 | -0.093 | -0.072 | 2.630 | -1.289 | 1.114 | 2.251 | -1.607 | -3.047 | -0.019 |
29 | A | 29 | LEU | 0 | -0.037 | -0.033 | 2.522 | -4.161 | -1.814 | 2.402 | -2.159 | -2.590 | -0.022 |
30 | A | 30 | SER | 0 | 0.007 | -0.004 | 2.790 | -2.282 | -1.010 | 0.764 | -0.323 | -1.712 | -0.008 |
31 | A | 31 | ILE | 0 | -0.001 | 0.005 | 4.034 | 0.378 | 0.430 | 0.001 | 0.005 | -0.058 | 0.000 |
32 | A | 32 | GLU | -1 | -0.870 | -0.931 | 4.966 | -2.562 | -2.512 | -0.001 | -0.001 | -0.047 | 0.000 |
33 | A | 33 | ALA | 0 | 0.010 | 0.000 | 8.584 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | LEU | 0 | -0.008 | -0.008 | 12.255 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | ILE | 0 | 0.017 | 0.017 | 15.030 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | SER | 0 | -0.016 | -0.030 | 17.736 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | LYS | 1 | 0.918 | 0.972 | 21.177 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | ASP | -1 | -0.819 | -0.901 | 24.770 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | LYS | 1 | 0.817 | 0.898 | 22.516 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | TYR | 0 | -0.014 | -0.015 | 22.699 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | ALA | 0 | -0.002 | -0.005 | 22.275 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | LYS | 1 | 0.944 | 0.964 | 21.934 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | TYR | 0 | -0.030 | -0.032 | 16.968 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | ILE | 0 | -0.027 | 0.001 | 17.020 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | ASP | -1 | -0.828 | -0.895 | 14.987 | -0.546 | -0.546 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | GLY | 0 | -0.024 | -0.007 | 14.359 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | LYS | 1 | 0.876 | 0.932 | 8.575 | 1.193 | 1.193 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | GLU | -1 | -0.830 | -0.907 | 14.232 | -0.345 | -0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | VAL | 0 | -0.044 | -0.016 | 15.624 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | ILE | 0 | -0.010 | -0.002 | 15.457 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | ASP | -1 | -0.828 | -0.928 | 18.875 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | LYS | 1 | 0.854 | 0.906 | 19.775 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | THR | 0 | 0.010 | -0.010 | 20.452 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | GLU | -1 | -0.906 | -0.940 | 19.141 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | ILE | 0 | 0.011 | 0.019 | 15.138 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | SER | 0 | -0.033 | -0.019 | 15.430 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | ASN | 0 | -0.058 | -0.023 | 16.524 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | TYR | 0 | -0.042 | -0.015 | 11.204 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | GLU | -1 | -0.877 | -0.923 | 8.858 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | PHE | 0 | -0.040 | -0.053 | 8.013 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | ASP | -1 | -0.834 | -0.907 | 6.378 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | TYR | 0 | -0.078 | -0.091 | 6.137 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | ILE | 0 | 0.006 | 0.024 | 10.609 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | ILE | 0 | -0.045 | -0.026 | 9.177 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | ILE | 0 | -0.010 | -0.008 | 13.477 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | PHE | 0 | -0.004 | -0.005 | 12.994 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | ASN | 0 | -0.013 | -0.036 | 18.371 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | LYS | 1 | 0.817 | 0.888 | 22.094 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | GLU | -1 | -0.849 | -0.911 | 24.151 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | ARG | 1 | 0.799 | 0.888 | 25.816 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | TYR | 0 | 0.050 | 0.030 | 18.542 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | SER | 0 | -0.007 | -0.028 | 23.496 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | ASP | -1 | -0.831 | -0.904 | 25.510 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | ILE | 0 | -0.012 | 0.001 | 20.469 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | LYS | 1 | 0.871 | 0.917 | 20.297 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | ASN | 0 | -0.013 | 0.001 | 22.301 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | GLU | -1 | -0.743 | -0.831 | 23.640 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | ALA | 0 | -0.019 | -0.018 | 19.297 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | LEU | 0 | -0.028 | -0.016 | 21.285 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | GLU | -1 | -0.968 | -0.989 | 23.261 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | LEU | 0 | -0.043 | -0.030 | 20.857 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | GLY | 0 | -0.037 | -0.007 | 22.069 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | ILE | 0 | -0.045 | -0.016 | 16.650 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | PRO | 0 | 0.016 | 0.008 | 16.398 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | GLU | -1 | -0.717 | -0.860 | 17.113 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | ARG | 1 | 0.858 | 0.928 | 10.191 | 0.433 | 0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | LYS | 1 | 0.829 | 0.938 | 12.237 | 0.436 | 0.436 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | ILE | 0 | 0.008 | 0.012 | 13.569 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | LEU | 0 | 0.021 | 0.007 | 9.958 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | ASN | 0 | 0.003 | -0.007 | 14.639 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | GLY | 0 | 0.102 | 0.080 | 14.632 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | LYS | 1 | 0.915 | 0.936 | 15.664 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | PHE | 0 | -0.026 | -0.018 | 15.643 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | PHE | 0 | 0.094 | 0.048 | 9.642 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | PHE | 0 | -0.101 | -0.035 | 14.930 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | ILE | 0 | -0.005 | 0.016 | 16.771 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | SER | 0 | -0.025 | -0.030 | 17.617 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | ASN | 0 | -0.049 | -0.017 | 16.867 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | PHE | 0 | -0.029 | -0.004 | 10.298 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | ASP | -1 | -0.758 | -0.881 | 8.559 | 0.926 | 0.926 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | PHE | 0 | 0.018 | 0.006 | 4.769 | 0.044 | 0.127 | -0.001 | -0.004 | -0.078 | 0.000 |
102 | A | 102 | LYS | 1 | 1.007 | 1.015 | 3.913 | -6.159 | -5.843 | 0.001 | -0.068 | -0.250 | 0.000 |
103 | A | 103 | ARG | 1 | 0.796 | 0.861 | 5.584 | -0.744 | -0.744 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | TYR | 0 | -0.062 | -0.055 | 8.965 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | CYS | 0 | 0.047 | 0.023 | 5.787 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | LYS | 1 | 0.878 | 0.963 | 7.453 | -0.699 | -0.699 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | LEU | 0 | -0.040 | -0.040 | 8.375 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | ILE | 0 | -0.003 | 0.010 | 10.439 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | GLU | -1 | -0.806 | -0.880 | 7.804 | -0.476 | -0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | ASN | 0 | -0.071 | -0.021 | 10.689 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | PRO | 0 | -0.007 | 0.006 | 12.960 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | ILE | 0 | 0.048 | 0.046 | 15.119 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | THR | 0 | -0.103 | -0.041 | 17.107 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | ILE | 0 | 0.005 | -0.013 | 19.933 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | ILE | 0 | 0.006 | 0.023 | 22.666 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | SER | 0 | -0.013 | -0.017 | 26.273 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | ASP | -1 | -0.728 | -0.839 | 28.673 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | ASP | -1 | -0.786 | -0.883 | 30.697 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | CYS | 0 | 0.024 | 0.007 | 30.472 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | TRP | 0 | 0.017 | 0.012 | 22.307 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | GLY | 0 | 0.047 | 0.016 | 24.397 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | GLY | 0 | 0.074 | 0.039 | 23.959 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | LEU | 0 | -0.004 | -0.001 | 24.930 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | VAL | 0 | -0.003 | -0.006 | 20.225 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | SER | 0 | -0.017 | -0.020 | 20.183 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | SER | 0 | -0.004 | -0.002 | 20.445 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | TYR | 0 | -0.077 | -0.046 | 20.003 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | LEU | 0 | -0.013 | -0.008 | 16.131 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | GLY | 0 | 0.013 | 0.010 | 16.958 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | PHE | 0 | -0.040 | -0.021 | 13.537 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | LYS | 1 | 0.878 | 0.924 | 18.249 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | PHE | 0 | 0.019 | -0.003 | 20.639 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | ASN | 0 | 0.033 | 0.026 | 18.431 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | SER | 0 | 0.037 | -0.018 | 22.263 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | PRO | 0 | -0.001 | 0.020 | 25.240 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | PHE | 0 | -0.026 | -0.013 | 27.937 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | ILE | 0 | -0.034 | -0.007 | 25.914 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | ASN | 0 | -0.039 | -0.026 | 30.027 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | PHE | 0 | 0.061 | 0.025 | 32.674 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | TYR | 0 | -0.015 | -0.007 | 33.844 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | ILE | 0 | -0.025 | 0.008 | 34.658 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | HIS | 0 | 0.033 | 0.014 | 36.828 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | ASN | 0 | 0.018 | -0.007 | 36.725 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | ASP | -1 | -0.870 | -0.936 | 38.298 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | ASP | -1 | -0.743 | -0.892 | 39.611 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | TYR | 0 | -0.034 | -0.034 | 29.539 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | ILE | 0 | -0.030 | -0.032 | 34.479 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | LYS | 1 | 0.867 | 0.943 | 35.946 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | PHE | 0 | 0.019 | 0.012 | 30.548 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | LEU | 0 | -0.022 | -0.008 | 29.463 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | GLU | -1 | -0.788 | -0.850 | 32.027 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | ASN | 0 | -0.054 | -0.020 | 34.745 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | MET | 0 | 0.022 | 0.024 | 27.682 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | ASP | -1 | -0.811 | -0.912 | 30.517 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | TYR | 0 | 0.070 | 0.047 | 33.023 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | TYR | 0 | 0.005 | -0.008 | 35.650 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | LEU | 0 | -0.060 | -0.027 | 29.800 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | GLU | -1 | -0.960 | -0.973 | 34.161 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | GLN | 0 | -0.089 | -0.035 | 36.691 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | GLU | -1 | -0.885 | -0.932 | 38.416 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | LEU | 0 | -0.041 | -0.016 | 37.832 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | LYS | 1 | 0.884 | 0.935 | 40.483 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | VAL | 0 | 0.001 | 0.006 | 44.134 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | GLU | -1 | -0.811 | -0.877 | 45.337 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | GLN | 0 | -0.027 | -0.036 | 46.426 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | GLU | -1 | -0.800 | -0.921 | 46.182 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | GLY | 0 | -0.036 | 0.005 | 46.468 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | ASN | 0 | 0.053 | 0.012 | 47.524 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | VAL | 0 | 0.081 | 0.031 | 46.369 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | TYR | 0 | -0.053 | -0.019 | 48.941 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | SER | 0 | -0.010 | -0.016 | 51.208 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | CYS | 0 | -0.060 | -0.027 | 47.902 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | THR | 0 | -0.054 | -0.002 | 47.584 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | MET | 0 | 0.025 | 0.024 | 42.313 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | PRO | 0 | 0.067 | 0.034 | 42.289 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | LYS | 1 | 0.802 | 0.912 | 42.082 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | GLY | 0 | 0.048 | 0.009 | 40.948 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | SER | 0 | -0.030 | -0.006 | 41.954 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | LEU | 0 | -0.016 | 0.000 | 36.073 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | GLY | 0 | 0.105 | 0.051 | 40.683 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | THR | 0 | -0.056 | -0.051 | 42.695 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | GLY | 0 | 0.070 | 0.055 | 46.468 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | ASP | -1 | -0.945 | -0.955 | 47.490 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | ASN | 0 | 0.005 | -0.021 | 43.611 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | LYS | 1 | 0.768 | 0.891 | 43.093 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | ILE | 0 | -0.022 | -0.010 | 38.008 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | ILE | 0 | -0.002 | -0.005 | 41.310 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | LEU | 0 | -0.049 | -0.006 | 35.698 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | ASN | 0 | -0.029 | -0.035 | 38.800 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | PHE | 0 | 0.062 | 0.019 | 35.711 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | ASN | 0 | -0.028 | -0.025 | 36.527 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | HIS | 0 | -0.027 | -0.016 | 34.996 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | GLN | 0 | 0.005 | 0.002 | 35.312 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | ALA | 0 | -0.006 | 0.017 | 39.234 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | SER | 0 | -0.040 | -0.053 | 42.651 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | PHE | 0 | 0.042 | 0.003 | 41.608 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | ALA | 0 | -0.010 | -0.001 | 41.141 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | GLU | -1 | -0.771 | -0.856 | 39.284 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | ALA | 0 | -0.018 | -0.009 | 37.210 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | LYS | 1 | 0.784 | 0.870 | 36.478 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | ASN | 0 | -0.048 | -0.025 | 36.736 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | ASP | -1 | -0.744 | -0.845 | 32.878 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | TRP | 0 | -0.022 | -0.022 | 32.140 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | ASP | -1 | -0.873 | -0.942 | 32.182 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | GLU | -1 | -0.799 | -0.872 | 29.190 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | ARG | 1 | 0.832 | 0.905 | 26.955 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | LYS | 1 | 0.838 | 0.933 | 27.308 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | THR | 0 | -0.074 | -0.059 | 27.949 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | ARG | 1 | 0.806 | 0.880 | 23.340 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | ILE | 0 | -0.050 | -0.003 | 22.757 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | ASN | 0 | 0.054 | 0.006 | 16.772 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | LYS | 1 | 0.825 | 0.869 | 20.429 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | LYS | 1 | 0.899 | 0.960 | 17.670 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | ASN | 0 | -0.071 | -0.050 | 14.295 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | LEU | 0 | 0.011 | 0.026 | 17.780 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | PHE | 0 | -0.015 | 0.005 | 19.413 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | VAL | 0 | 0.004 | -0.006 | 21.472 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | LYS | 1 | 0.775 | 0.887 | 25.170 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | MET | 0 | -0.012 | 0.002 | 26.912 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | LEU | 0 | -0.053 | -0.030 | 30.449 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | ILE | 0 | 0.013 | 0.005 | 32.897 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | LYS | 1 | 0.871 | 0.925 | 36.113 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | ASP | -1 | -0.870 | -0.932 | 38.422 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | ASP | -1 | -0.854 | -0.940 | 40.227 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | ASN | 0 | 0.103 | 0.041 | 40.299 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | GLU | -1 | -0.708 | -0.855 | 39.426 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | LYS | 1 | 0.874 | 0.955 | 39.580 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | LEU | 0 | 0.012 | 0.003 | 37.617 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | VAL | 0 | 0.023 | 0.021 | 34.361 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | LYS | 1 | 0.874 | 0.950 | 34.663 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | ARG | 1 | 0.830 | 0.877 | 35.339 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | PHE | 0 | 0.050 | 0.016 | 28.070 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | ASP | -1 | -0.801 | -0.870 | 30.334 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | ASN | 0 | -0.102 | -0.081 | 31.050 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | LEU | 0 | -0.004 | 0.031 | 29.809 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | PRO | 0 | 0.047 | 0.027 | 28.523 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | TYR | 0 | -0.047 | -0.050 | 24.864 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | LYS | 1 | 0.918 | 0.951 | 21.460 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | ASN | 0 | 0.014 | 0.018 | 17.583 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | LYS | 1 | 0.835 | 0.924 | 21.408 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | VAL | 0 | -0.013 | -0.003 | 24.050 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | CYS | 0 | -0.008 | 0.006 | 25.981 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | PHE | 0 | 0.031 | 0.007 | 25.556 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | HIS | 0 | 0.006 | -0.009 | 30.819 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | PRO | 0 | 0.015 | 0.001 | 34.019 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | LYS | 1 | 0.803 | 0.904 | 36.484 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | PRO | 0 | 0.034 | 0.022 | 33.972 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | MET | 0 | -0.006 | 0.003 | 33.810 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | LYS | 1 | 0.850 | 0.910 | 33.674 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | TYR | 0 | -0.047 | -0.035 | 32.921 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | LYS | 1 | 0.917 | 0.954 | 27.632 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | SER | 0 | -0.026 | -0.033 | 27.069 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | VAL | 0 | -0.050 | -0.029 | 28.081 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | ALA | 0 | -0.008 | -0.001 | 27.458 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | PHE | 0 | -0.035 | -0.008 | 28.922 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | PHE | 0 | 0.048 | 0.010 | 25.948 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | PRO | 0 | 0.028 | 0.024 | 30.716 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | ARG | 1 | 0.876 | 0.925 | 30.313 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | TYR | 0 | 0.023 | 0.004 | 33.183 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | ILE | 0 | 0.013 | 0.006 | 34.562 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | TRP | 0 | 0.038 | 0.020 | 36.170 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | ARG | 1 | 0.840 | 0.908 | 34.421 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | CYS | 0 | -0.057 | -0.032 | 38.105 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | ILE | 0 | -0.006 | -0.004 | 40.446 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | ASN | 0 | -0.036 | -0.010 | 40.773 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | TYR | 0 | -0.005 | 0.015 | 37.777 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | ALA | 0 | 0.056 | 0.037 | 40.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | ALA | 0 | -0.011 | 0.011 | 40.638 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | ARG | 1 | 0.831 | 0.916 | 39.921 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | THR | 0 | 0.000 | 0.010 | 38.575 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | SER | 0 | 0.006 | -0.016 | 40.847 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | ASN | 0 | 0.005 | -0.003 | 41.727 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | SER | 0 | 0.017 | -0.005 | 40.633 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | ASN | 0 | 0.028 | 0.026 | 38.290 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | LEU | 0 | 0.024 | 0.010 | 32.866 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | GLU | -1 | -0.764 | -0.889 | 33.267 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | GLN | 0 | 0.044 | 0.033 | 32.884 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | TYR | 0 | -0.050 | -0.043 | 29.869 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | THR | 0 | -0.034 | -0.031 | 28.950 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | MET | 0 | 0.001 | 0.007 | 27.857 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | ASP | -1 | -0.826 | -0.879 | 28.948 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | MET | 0 | 0.029 | 0.014 | 22.663 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | SER | 0 | 0.000 | 0.002 | 25.618 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | TRP | 0 | -0.009 | -0.017 | 28.008 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | LEU | 0 | 0.031 | 0.026 | 23.834 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | GLU | -1 | -0.779 | -0.885 | 22.407 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 287 | LYS | 1 | 0.778 | 0.885 | 23.505 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 288 | SER | 0 | 0.003 | 0.009 | 26.242 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 289 | CYS | 0 | -0.122 | -0.063 | 22.624 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 290 | ASP | -1 | -0.825 | -0.927 | 16.658 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 291 | ILE | 0 | 0.017 | 0.000 | 18.174 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 292 | LEU | 0 | 0.071 | 0.041 | 12.149 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 293 | LYS | 1 | 0.820 | 0.915 | 14.365 | -0.323 | -0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 294 | MET | 0 | -0.037 | -0.026 | 15.406 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 295 | LEU | 0 | 0.015 | 0.006 | 15.967 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 296 | CYS | 0 | -0.094 | -0.021 | 11.850 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 297 | GLY | 0 | 0.018 | 0.008 | 14.090 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 298 | GLU | -1 | -0.848 | -0.881 | 12.298 | 0.748 | 0.748 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 299 | GLU | -1 | -0.870 | -0.934 | 16.645 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 300 | ASP | -1 | -0.858 | -0.921 | 18.905 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 301 | PHE | 0 | 0.043 | 0.030 | 18.907 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 302 | ILE | 0 | -0.014 | 0.007 | 20.376 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 303 | ARG | 1 | 0.897 | 0.937 | 21.743 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 304 | GLU | -1 | -0.868 | -0.913 | 24.424 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 305 | LYS | 1 | 0.870 | 0.915 | 24.581 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 306 | ALA | 0 | 0.010 | 0.015 | 30.143 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |