FMODB ID: 82ZGY
Calculation Name: 4U7U-E-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4U7U
Chain ID: E
UniProt ID: Q46898
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 | OptH |
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 | 363 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -5444479.18024 |
---|---|
FMO2-HF: Nuclear repulsion | 5302489.534518 |
FMO2-HF: Total energy | -141989.645722 |
FMO2-MP2: Total energy | -142398.503352 |
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(E:1:MET)
Summations of interaction energy for
fragment #1(E: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. |
-10.295 | -4.515 | 4.359 | -3.278 | -6.86 | 0.002 |
Interaction energy analysis for fragmet #1(E: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 | E | 3 | ASN | 0 | 0.026 | 0.003 | 3.560 | -0.479 | 2.577 | -0.007 | -1.542 | -1.507 | 0.008 |
4 | E | 4 | PHE | 0 | -0.004 | 0.000 | 5.850 | 0.739 | 0.739 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | E | 5 | ILE | 0 | 0.020 | 0.022 | 8.327 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | E | 6 | ASN | 0 | -0.049 | -0.021 | 10.287 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | E | 7 | ILE | 0 | 0.040 | 0.020 | 13.812 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | E | 8 | HIS | 0 | 0.045 | 0.032 | 16.464 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | E | 9 | VAL | 0 | 0.007 | 0.000 | 19.968 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | E | 10 | LEU | 0 | -0.023 | 0.003 | 23.143 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | E | 11 | ILE | 0 | -0.001 | -0.004 | 26.598 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | E | 12 | SER | 0 | 0.007 | 0.004 | 29.112 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | E | 13 | HIS | 0 | -0.036 | -0.006 | 30.901 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | E | 14 | SER | 0 | 0.051 | 0.023 | 35.341 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | E | 15 | PRO | 0 | 0.004 | -0.012 | 38.821 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | E | 16 | SER | 0 | 0.003 | -0.001 | 38.087 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | E | 17 | CYS | 0 | 0.043 | 0.010 | 39.531 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | E | 18 | LEU | 0 | -0.022 | 0.011 | 33.433 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | E | 19 | ASN | 0 | -0.070 | -0.056 | 33.858 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | E | 20 | ARG | 1 | 0.917 | 0.979 | 36.587 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | E | 21 | ASP | -1 | -0.870 | -0.943 | 38.980 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | E | 22 | ASP | -1 | -0.917 | -0.952 | 40.833 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | E | 23 | MET | 0 | 0.016 | 0.011 | 43.832 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | E | 24 | ASN | 0 | -0.073 | -0.041 | 43.666 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | E | 25 | MET | 0 | 0.067 | 0.034 | 43.648 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | E | 26 | GLN | 0 | -0.020 | -0.010 | 39.030 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | E | 27 | LYS | 1 | 0.888 | 0.962 | 34.976 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | E | 28 | ASP | -1 | -0.827 | -0.898 | 36.670 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | E | 29 | ALA | 0 | 0.005 | -0.015 | 33.734 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | E | 30 | ILE | 0 | 0.013 | 0.020 | 35.645 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | E | 31 | PHE | 0 | -0.001 | -0.009 | 28.558 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | E | 32 | GLY | 0 | 0.080 | 0.051 | 33.964 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | E | 33 | GLY | 0 | -0.069 | -0.020 | 35.213 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | E | 34 | LYS | 1 | 0.864 | 0.922 | 37.443 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | E | 35 | ARG | 1 | 0.899 | 0.955 | 37.322 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | E | 36 | ARG | 1 | 0.762 | 0.860 | 32.204 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | E | 37 | VAL | 0 | 0.069 | 0.037 | 35.225 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | E | 38 | ARG | 1 | 0.836 | 0.884 | 31.409 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | E | 39 | ILE | 0 | -0.033 | -0.002 | 30.312 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | E | 40 | SER | 0 | -0.053 | -0.029 | 29.626 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | E | 41 | SER | 0 | 0.107 | 0.035 | 25.495 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | E | 42 | GLN | 0 | -0.019 | -0.011 | 26.745 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | E | 43 | SER | 0 | -0.039 | -0.014 | 28.827 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | E | 44 | LEU | 0 | 0.092 | 0.047 | 25.382 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | E | 45 | LYS | 1 | 0.971 | 0.993 | 23.782 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | E | 46 | ARG | 1 | 0.890 | 0.937 | 26.005 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | E | 47 | ALA | 0 | -0.010 | -0.001 | 28.268 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | E | 48 | MET | 0 | 0.041 | 0.017 | 20.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | E | 49 | ARG | 1 | 0.922 | 0.961 | 25.902 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | E | 50 | LYS | 1 | 0.863 | 0.928 | 26.802 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | E | 51 | SER | 0 | 0.023 | 0.045 | 26.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | E | 52 | GLY | 0 | 0.061 | 0.021 | 29.345 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | E | 53 | TYR | 0 | 0.024 | -0.007 | 20.296 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | E | 54 | TYR | 0 | 0.013 | -0.008 | 22.644 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | E | 55 | ALA | 0 | -0.004 | -0.005 | 24.920 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | E | 56 | GLN | 0 | -0.047 | 0.001 | 26.250 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | E | 57 | ASN | 0 | -0.042 | -0.025 | 21.109 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | E | 58 | ILE | 0 | -0.060 | -0.029 | 20.061 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | E | 59 | GLY | 0 | 0.032 | 0.024 | 22.034 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | E | 60 | GLU | -1 | -0.918 | -0.956 | 25.083 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | E | 61 | SER | 0 | -0.097 | -0.039 | 26.298 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | E | 62 | SER | 0 | -0.059 | -0.075 | 27.190 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | E | 63 | LEU | 0 | -0.010 | -0.005 | 28.929 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | E | 64 | ARG | 1 | 0.852 | 0.923 | 26.351 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | E | 65 | THR | 0 | 0.025 | 0.003 | 33.553 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | E | 66 | ILE | 0 | 0.051 | 0.022 | 36.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | E | 67 | HIS | 0 | -0.045 | -0.016 | 39.668 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | E | 68 | LEU | 0 | 0.055 | 0.018 | 39.017 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | E | 69 | ALA | 0 | 0.019 | 0.034 | 42.108 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | E | 70 | GLN | 0 | 0.100 | 0.034 | 42.823 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | E | 71 | LEU | 0 | -0.052 | -0.018 | 36.507 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | E | 72 | ARG | 1 | 0.825 | 0.892 | 40.385 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | E | 73 | ASP | -1 | -0.828 | -0.898 | 42.616 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | E | 74 | VAL | 0 | -0.038 | -0.020 | 38.403 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | E | 75 | LEU | 0 | -0.021 | -0.020 | 35.923 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | E | 76 | ARG | 1 | 0.767 | 0.845 | 39.545 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | E | 77 | GLN | 0 | -0.004 | 0.002 | 40.870 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | E | 78 | LYS | 1 | 0.896 | 0.956 | 35.001 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | E | 79 | LEU | 0 | -0.023 | -0.031 | 34.906 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | E | 80 | GLY | 0 | 0.032 | 0.022 | 38.829 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | E | 81 | GLU | -1 | -0.967 | -0.979 | 40.176 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | E | 82 | ARG | 1 | 0.843 | 0.930 | 32.351 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | E | 83 | PHE | 0 | -0.013 | -0.009 | 35.134 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | E | 84 | ASP | -1 | -0.840 | -0.907 | 41.102 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | E | 85 | GLN | 0 | 0.020 | -0.003 | 43.476 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | E | 86 | LYS | 1 | 0.997 | 0.982 | 44.744 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | E | 87 | ILE | 0 | 0.046 | 0.051 | 40.170 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | E | 88 | ILE | 0 | 0.018 | 0.020 | 39.921 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | E | 89 | ASP | -1 | -0.803 | -0.901 | 40.741 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | E | 90 | LYS | 1 | 0.909 | 0.967 | 41.715 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | E | 91 | THR | 0 | 0.022 | -0.021 | 36.064 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | E | 92 | LEU | 0 | -0.014 | 0.002 | 37.879 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | E | 93 | ALA | 0 | 0.003 | -0.003 | 39.096 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | E | 94 | LEU | 0 | -0.048 | -0.017 | 38.132 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | E | 95 | LEU | 0 | -0.021 | -0.012 | 33.095 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | E | 96 | SER | 0 | -0.038 | -0.016 | 35.829 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | E | 97 | GLY | 0 | -0.025 | -0.011 | 38.229 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | E | 98 | LYS | 1 | 0.819 | 0.913 | 40.613 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | E | 99 | SER | 0 | 0.001 | -0.004 | 43.470 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | E | 100 | VAL | 0 | -0.032 | -0.022 | 42.921 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | E | 101 | ASP | -1 | -0.869 | -0.912 | 46.123 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | E | 102 | GLU | -1 | -0.839 | -0.904 | 48.713 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | E | 103 | ALA | 0 | 0.017 | 0.003 | 50.256 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | E | 104 | GLU | -1 | -0.894 | -0.932 | 49.894 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | E | 105 | LYS | 1 | 0.900 | 0.938 | 47.316 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | E | 106 | ILE | 0 | 0.021 | 0.012 | 44.509 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | E | 107 | SER | 0 | -0.054 | -0.022 | 43.969 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | E | 108 | ALA | 0 | 0.024 | 0.012 | 38.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | E | 109 | ASP | -1 | -0.820 | -0.913 | 38.694 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | E | 110 | ALA | 0 | -0.016 | -0.024 | 36.403 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | E | 111 | VAL | 0 | -0.056 | -0.015 | 34.737 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | E | 112 | THR | 0 | 0.016 | 0.020 | 32.549 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | E | 113 | PRO | 0 | -0.058 | -0.048 | 28.446 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | E | 114 | TRP | 0 | 0.037 | 0.024 | 30.739 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | E | 115 | VAL | 0 | 0.055 | 0.028 | 26.071 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | E | 116 | VAL | 0 | 0.030 | 0.014 | 29.372 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | E | 117 | GLY | 0 | 0.042 | 0.023 | 28.161 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | E | 118 | GLU | -1 | -0.735 | -0.866 | 26.740 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | E | 119 | ILE | 0 | -0.011 | -0.008 | 28.985 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | E | 120 | ALA | 0 | 0.013 | 0.011 | 31.503 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | E | 121 | TRP | 0 | 0.094 | 0.051 | 27.698 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | E | 122 | PHE | 0 | 0.002 | -0.026 | 29.556 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | E | 123 | CYS | 0 | -0.046 | 0.000 | 33.165 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | E | 124 | GLU | -1 | -0.931 | -0.963 | 31.929 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | E | 125 | GLN | 0 | -0.058 | -0.030 | 31.915 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | E | 126 | VAL | 0 | 0.009 | -0.009 | 35.092 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | E | 127 | ALA | 0 | 0.003 | 0.007 | 38.233 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | E | 128 | LYS | 1 | 0.918 | 0.959 | 32.659 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | E | 129 | ALA | 0 | -0.017 | -0.016 | 38.901 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | E | 130 | GLU | -1 | -0.938 | -0.964 | 40.522 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | E | 131 | ALA | 0 | -0.063 | -0.021 | 42.704 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | E | 132 | ASP | -1 | -0.960 | -0.971 | 41.446 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | E | 133 | ASN | 0 | -0.074 | -0.038 | 44.476 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | E | 134 | LEU | 0 | -0.033 | 0.005 | 39.185 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | E | 135 | ASP | -1 | -0.842 | -0.926 | 43.668 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | E | 136 | ASP | -1 | -0.785 | -0.915 | 40.960 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | E | 137 | LYS | 1 | 0.905 | 0.934 | 39.246 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | E | 138 | LYS | 1 | 0.879 | 0.940 | 38.330 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | E | 139 | LEU | 0 | 0.093 | 0.064 | 35.681 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | E | 140 | LEU | 0 | 0.000 | -0.007 | 33.327 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | E | 141 | LYS | 1 | 0.874 | 0.929 | 33.489 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | E | 142 | VAL | 0 | 0.036 | 0.011 | 32.925 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | E | 143 | LEU | 0 | 0.020 | 0.009 | 30.813 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | E | 144 | LYS | 1 | 0.857 | 0.928 | 29.020 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | E | 145 | GLU | -1 | -1.008 | -0.986 | 27.784 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | E | 146 | ASP | -1 | -0.857 | -0.932 | 23.750 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | E | 147 | ILE | 0 | 0.039 | 0.010 | 22.412 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | E | 148 | ALA | 0 | 0.024 | 0.021 | 19.898 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | E | 149 | ALA | 0 | 0.018 | 0.012 | 21.459 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | E | 150 | ILE | 0 | -0.042 | -0.031 | 23.981 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | E | 151 | ARG | 1 | 0.806 | 0.872 | 19.949 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | E | 152 | VAL | 0 | 0.059 | 0.043 | 19.521 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | E | 153 | ASN | 0 | -0.045 | -0.027 | 21.119 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | E | 154 | LEU | 0 | -0.094 | -0.028 | 20.786 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | E | 155 | GLN | 0 | -0.001 | -0.007 | 18.064 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | E | 156 | GLN | 0 | -0.032 | -0.015 | 20.949 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | E | 157 | GLY | 0 | 0.011 | -0.013 | 23.118 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | E | 158 | VAL | 0 | 0.089 | 0.058 | 18.445 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | E | 159 | ASP | -1 | -0.804 | -0.871 | 20.323 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | E | 160 | ILE | 0 | -0.054 | -0.046 | 22.391 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | E | 161 | ALA | 0 | 0.036 | 0.041 | 17.818 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | E | 162 | LEU | 0 | 0.012 | 0.008 | 16.221 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | E | 163 | SER | 0 | -0.071 | -0.042 | 18.711 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | E | 164 | GLY | 0 | 0.033 | 0.034 | 21.500 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | E | 165 | ARG | 1 | 0.728 | 0.826 | 22.627 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | E | 166 | MET | 0 | -0.005 | 0.013 | 26.011 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | E | 167 | ALA | 0 | -0.028 | -0.008 | 28.459 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | E | 168 | THR | 0 | 0.000 | -0.016 | 31.058 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | E | 169 | SER | 0 | 0.004 | 0.009 | 34.579 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | E | 170 | GLY | 0 | 0.067 | 0.041 | 35.434 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | E | 171 | MET | 0 | 0.001 | -0.011 | 33.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | E | 172 | MET | 0 | 0.051 | 0.038 | 29.892 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | E | 173 | THR | 0 | -0.063 | -0.019 | 30.256 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | E | 174 | GLU | -1 | -0.962 | -0.986 | 30.627 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | E | 175 | LEU | 0 | 0.032 | 0.013 | 28.037 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | E | 176 | GLY | 0 | -0.003 | 0.011 | 26.660 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | E | 177 | LYS | 1 | 0.872 | 0.940 | 25.281 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | E | 178 | VAL | 0 | -0.017 | 0.003 | 20.562 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | E | 179 | ASP | -1 | -0.864 | -0.922 | 19.139 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | E | 180 | GLY | 0 | -0.001 | 0.013 | 18.652 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | E | 181 | ALA | 0 | 0.058 | 0.035 | 13.892 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | E | 182 | MET | 0 | -0.077 | -0.038 | 14.681 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | E | 183 | SER | 0 | -0.033 | 0.003 | 16.755 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | E | 184 | ILE | 0 | -0.021 | -0.031 | 18.514 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | E | 185 | ALA | 0 | 0.005 | 0.006 | 21.221 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | E | 186 | HIS | 0 | -0.055 | -0.032 | 23.930 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | E | 187 | ALA | 0 | 0.053 | 0.031 | 27.370 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | E | 188 | ILE | 0 | 0.022 | 0.016 | 28.221 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | E | 189 | THR | 0 | 0.046 | 0.039 | 30.033 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | E | 190 | THR | 0 | -0.039 | -0.007 | 29.349 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | E | 191 | HIS | 0 | 0.070 | 0.039 | 31.850 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | E | 192 | GLN | 0 | -0.030 | -0.030 | 35.588 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | E | 193 | VAL | 0 | -0.056 | -0.028 | 37.767 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | E | 194 | ASP | -1 | -0.870 | -0.923 | 40.339 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | E | 195 | SER | 0 | -0.050 | -0.050 | 41.857 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | E | 196 | ASP | -1 | -0.894 | -0.923 | 44.094 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | E | 197 | ILE | 0 | 0.000 | -0.024 | 46.394 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | E | 198 | ASP | -1 | -0.967 | -0.977 | 48.758 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | E | 199 | TRP | 0 | 0.006 | -0.007 | 50.374 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | E | 200 | PHE | 0 | -0.001 | 0.015 | 50.420 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | E | 201 | THR | 0 | -0.018 | -0.033 | 54.645 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | E | 202 | ALA | 0 | -0.022 | -0.027 | 56.508 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | E | 203 | VAL | 0 | -0.001 | 0.014 | 58.447 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | E | 204 | ASP | -1 | -0.885 | -0.931 | 61.341 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | E | 205 | ASP | -1 | -0.932 | -0.967 | 62.845 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | E | 206 | LEU | 0 | -0.095 | -0.053 | 65.310 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | E | 207 | GLN | 0 | -0.057 | -0.043 | 67.572 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | E | 208 | GLU | -1 | -0.918 | -0.937 | 67.539 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | E | 209 | GLN | 0 | -0.042 | -0.020 | 63.868 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | E | 210 | GLY | 0 | 0.051 | 0.027 | 67.359 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | E | 211 | SER | 0 | -0.073 | -0.037 | 66.511 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | E | 212 | ALA | 0 | 0.024 | -0.004 | 62.566 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | E | 213 | HIS | 0 | -0.027 | -0.012 | 60.324 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | E | 214 | LEU | 0 | -0.018 | 0.001 | 56.867 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | E | 215 | GLY | 0 | 0.000 | 0.013 | 54.247 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | E | 216 | THR | 0 | -0.009 | -0.007 | 51.072 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | E | 217 | GLN | 0 | -0.057 | -0.036 | 44.234 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | E | 218 | GLU | -1 | -0.821 | -0.901 | 44.100 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | E | 219 | PHE | 0 | -0.061 | -0.044 | 42.521 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | E | 220 | SER | 0 | 0.075 | 0.036 | 39.269 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | E | 221 | SER | 0 | 0.011 | 0.021 | 38.651 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | E | 222 | GLY | 0 | -0.028 | -0.029 | 36.046 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | E | 223 | VAL | 0 | 0.011 | 0.004 | 30.789 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | E | 224 | PHE | 0 | -0.022 | -0.011 | 29.378 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | E | 225 | TYR | 0 | -0.001 | -0.011 | 20.936 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | E | 226 | ARG | 1 | 0.804 | 0.882 | 23.787 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | E | 227 | TYR | 0 | 0.022 | -0.005 | 15.890 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | E | 228 | ALA | 0 | -0.008 | -0.018 | 18.466 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | E | 229 | ASN | 0 | -0.046 | -0.008 | 13.490 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | E | 230 | ILE | 0 | 0.034 | 0.006 | 11.338 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | E | 231 | ASN | 0 | 0.047 | 0.028 | 10.400 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | E | 232 | LEU | 0 | 0.039 | 0.008 | 5.680 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | E | 233 | ALA | 0 | 0.052 | 0.031 | 8.136 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | E | 234 | GLN | 0 | 0.032 | 0.007 | 9.258 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | E | 235 | LEU | 0 | -0.030 | -0.011 | 11.693 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | E | 236 | GLN | 0 | -0.059 | -0.053 | 7.501 | 0.376 | 0.376 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | E | 237 | GLU | -1 | -0.936 | -0.955 | 12.304 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | E | 238 | ASN | 0 | -0.081 | -0.054 | 14.793 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | E | 239 | LEU | 0 | -0.019 | -0.019 | 14.619 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | E | 240 | GLY | 0 | -0.013 | -0.003 | 17.394 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | E | 241 | GLY | 0 | -0.027 | -0.004 | 14.205 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | E | 242 | ALA | 0 | -0.043 | -0.002 | 13.372 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | E | 243 | SER | 0 | 0.031 | 0.011 | 8.835 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | E | 244 | ARG | 1 | 0.885 | 0.906 | 3.227 | -6.137 | -5.356 | 3.421 | -0.974 | -3.227 | 0.002 |
245 | E | 245 | GLU | -1 | -0.893 | -0.950 | 7.010 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | E | 246 | GLN | 0 | 0.055 | 0.030 | 8.199 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | E | 247 | ALA | 0 | 0.005 | 0.011 | 9.253 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | E | 248 | LEU | 0 | 0.003 | -0.006 | 5.727 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | E | 249 | GLU | -1 | -0.864 | -0.924 | 10.202 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | E | 250 | ILE | 0 | 0.001 | -0.014 | 13.035 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | E | 251 | ALA | 0 | -0.004 | -0.012 | 11.857 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | E | 252 | THR | 0 | 0.027 | 0.012 | 12.767 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | E | 253 | HIS | 0 | 0.029 | 0.018 | 15.173 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | E | 254 | VAL | 0 | -0.023 | -0.018 | 16.525 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | E | 255 | VAL | 0 | -0.006 | -0.003 | 15.314 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | E | 256 | HIS | 0 | 0.053 | 0.026 | 18.253 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | E | 257 | MET | 0 | -0.012 | 0.007 | 21.078 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | E | 258 | LEU | 0 | -0.027 | -0.006 | 19.610 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | E | 259 | ALA | 0 | -0.011 | -0.006 | 22.259 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | E | 260 | THR | 0 | -0.072 | -0.035 | 23.959 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | E | 261 | GLU | -1 | -0.916 | -0.944 | 26.185 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | E | 262 | VAL | 0 | -0.002 | -0.002 | 28.076 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | E | 263 | PRO | 0 | -0.036 | -0.017 | 30.104 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | E | 264 | GLY | 0 | 0.060 | 0.027 | 32.554 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | E | 265 | ALA | 0 | -0.049 | -0.027 | 35.816 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | E | 266 | LYS | 1 | 0.965 | 0.979 | 38.266 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | E | 267 | GLN | 0 | 0.093 | 0.062 | 35.986 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | E | 268 | ARG | 1 | 0.889 | 0.935 | 39.873 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | E | 269 | THR | 0 | 0.020 | -0.002 | 42.917 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | E | 270 | TYR | 0 | -0.016 | 0.013 | 41.637 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | E | 271 | ALA | 0 | -0.047 | -0.013 | 40.027 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | E | 272 | ALA | 0 | 0.071 | 0.047 | 36.520 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | E | 273 | PHE | 0 | -0.056 | -0.038 | 34.746 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | E | 274 | ASN | 0 | 0.014 | 0.000 | 33.437 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | E | 275 | PRO | 0 | 0.047 | 0.027 | 29.029 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | E | 276 | ALA | 0 | -0.023 | -0.023 | 25.830 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | E | 277 | ASP | -1 | -0.862 | -0.939 | 27.762 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | E | 278 | MET | 0 | -0.037 | 0.010 | 22.482 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | E | 279 | VAL | 0 | -0.002 | -0.004 | 19.190 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | E | 280 | MET | 0 | -0.012 | 0.005 | 15.564 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | E | 281 | VAL | 0 | -0.027 | -0.014 | 12.436 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | E | 282 | ASN | 0 | 0.008 | -0.009 | 12.002 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | E | 283 | PHE | 0 | 0.000 | 0.009 | 6.580 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | E | 284 | SER | 0 | -0.020 | -0.039 | 8.326 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | E | 285 | ASP | -1 | -0.824 | -0.913 | 5.661 | -3.983 | -3.983 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | E | 286 | MET | 0 | -0.038 | -0.022 | 8.363 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | E | 287 | PRO | 0 | -0.058 | 0.015 | 12.133 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | E | 288 | LEU | 0 | 0.040 | 0.006 | 14.102 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | E | 289 | SER | 0 | 0.001 | 0.006 | 16.831 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | E | 290 | MET | 0 | 0.030 | 0.023 | 18.976 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | E | 291 | ALA | 0 | 0.028 | 0.011 | 21.732 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | E | 292 | ASN | 0 | 0.003 | -0.010 | 24.592 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | E | 293 | ALA | 0 | -0.022 | 0.008 | 24.855 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | E | 294 | PHE | 0 | -0.048 | -0.027 | 25.641 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | E | 295 | GLU | -1 | -0.887 | -0.917 | 29.641 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | E | 296 | LYS | 1 | 0.990 | 0.989 | 31.259 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | E | 297 | ALA | 0 | -0.048 | -0.024 | 33.147 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | E | 298 | VAL | 0 | 0.001 | -0.003 | 31.920 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | E | 299 | LYS | 1 | 0.915 | 0.951 | 34.784 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | E | 300 | ALA | 0 | 0.007 | 0.001 | 37.445 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | E | 301 | LYS | 1 | 0.910 | 0.951 | 36.682 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | E | 302 | ASP | -1 | -0.846 | -0.901 | 38.518 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | E | 303 | GLY | 0 | 0.013 | 0.012 | 38.322 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | E | 304 | PHE | 0 | 0.047 | -0.003 | 35.297 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | E | 305 | LEU | 0 | 0.020 | 0.059 | 30.699 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | E | 306 | GLN | 0 | 0.106 | 0.046 | 31.607 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | E | 307 | PRO | 0 | -0.027 | -0.008 | 31.448 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | E | 308 | SER | 0 | -0.023 | -0.055 | 29.946 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | E | 309 | ILE | 0 | 0.050 | 0.024 | 26.375 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | E | 310 | GLN | 0 | 0.037 | 0.010 | 26.791 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | E | 311 | ALA | 0 | -0.040 | -0.019 | 27.801 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | E | 312 | PHE | 0 | -0.021 | -0.016 | 19.918 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | E | 313 | ASN | 0 | 0.076 | 0.040 | 23.087 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | E | 314 | GLN | 0 | -0.024 | -0.008 | 23.469 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | E | 315 | TYR | 0 | -0.029 | -0.026 | 22.384 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | E | 316 | TRP | 0 | 0.044 | -0.003 | 14.325 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | E | 317 | ASP | -1 | -0.851 | -0.928 | 19.846 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | E | 318 | ARG | 1 | 0.845 | 0.915 | 21.347 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | E | 319 | VAL | 0 | 0.008 | 0.008 | 17.933 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | E | 320 | ALA | 0 | 0.012 | 0.020 | 16.829 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | E | 321 | ASN | 0 | -0.001 | -0.017 | 17.425 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | E | 322 | GLY | 0 | -0.071 | -0.023 | 19.752 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | E | 323 | TYR | 0 | -0.054 | -0.041 | 16.543 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | E | 324 | GLY | 0 | -0.008 | 0.013 | 15.431 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | E | 325 | LEU | 0 | -0.041 | -0.017 | 12.545 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | E | 326 | ASN | 0 | 0.003 | 0.000 | 10.758 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | E | 327 | GLY | 0 | 0.035 | 0.023 | 7.909 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | E | 328 | ALA | 0 | -0.013 | 0.013 | 7.685 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | E | 329 | ALA | 0 | 0.024 | -0.008 | 9.490 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | E | 330 | ALA | 0 | -0.017 | -0.011 | 12.897 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | E | 331 | GLN | 0 | -0.009 | -0.031 | 15.769 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | E | 332 | PHE | 0 | -0.030 | -0.007 | 19.334 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | E | 333 | SER | 0 | 0.035 | 0.000 | 21.702 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | E | 334 | LEU | 0 | 0.015 | 0.018 | 25.407 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | E | 335 | SER | 0 | -0.070 | -0.027 | 28.737 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | E | 336 | ASP | -1 | -0.911 | -0.953 | 29.093 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | E | 337 | VAL | 0 | -0.007 | -0.010 | 29.947 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | E | 338 | ASP | -1 | -0.905 | -0.954 | 25.851 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | E | 339 | PRO | 0 | -0.038 | -0.030 | 26.860 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | E | 340 | ILE | 0 | -0.038 | -0.004 | 23.264 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | E | 341 | THR | 0 | -0.001 | -0.004 | 20.454 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | E | 342 | ALA | 0 | 0.060 | 0.031 | 20.222 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | E | 343 | GLN | 0 | -0.048 | -0.026 | 15.231 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | E | 344 | VAL | 0 | -0.018 | 0.007 | 15.497 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | E | 345 | LYS | 1 | 0.951 | 0.988 | 15.376 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | E | 346 | GLN | 0 | 0.033 | 0.004 | 17.361 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | E | 347 | MET | 0 | -0.068 | -0.040 | 14.827 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | E | 348 | PRO | 0 | 0.028 | 0.019 | 20.103 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | E | 349 | THR | 0 | 0.037 | 0.016 | 21.845 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | E | 350 | LEU | 0 | 0.044 | 0.020 | 20.195 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | E | 351 | GLU | -1 | -0.838 | -0.944 | 19.192 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | E | 352 | GLN | 0 | -0.004 | 0.004 | 17.660 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | E | 353 | LEU | 0 | 0.038 | 0.024 | 15.258 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | E | 354 | LYS | 1 | 0.854 | 0.937 | 14.451 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | E | 355 | SER | 0 | -0.035 | -0.022 | 13.637 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | E | 356 | TRP | 0 | 0.004 | 0.003 | 11.455 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | E | 357 | VAL | 0 | -0.023 | -0.012 | 9.805 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | E | 358 | ARG | 1 | 0.907 | 0.948 | 9.033 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | E | 359 | ASN | 0 | -0.038 | -0.012 | 7.810 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | E | 360 | ASN | 0 | 0.067 | 0.035 | 2.550 | 1.020 | 2.805 | 0.946 | -0.728 | -2.003 | -0.008 |
361 | E | 361 | GLY | 0 | 0.001 | 0.009 | 5.434 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | E | 362 | GLU | -1 | -0.947 | -0.975 | 4.207 | -1.750 | -1.592 | -0.001 | -0.034 | -0.123 | 0.000 |
363 | E | 363 | ALA | 0 | -0.079 | -0.019 | 8.661 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |