FMODB ID: 43NGN
Calculation Name: 4U7U-I-Xray322
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4U7U
Chain ID: I
UniProt ID: Q46898
Base Structure: X-ray
Registration Date: 2021-09-07
Reference: C. Watanabe, S. Koyama, K. Kamisaka, D. Takaya, T. Honma et. al., Interaction energy analysis of Apo structure dataset on FMODB, To be pubulished.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 1.20200129 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 357 |
LigandCharge | |
Software | ABINIT-MP - Open Ver.1 Rev. 15 / 20190524 |
Total energy (hartree)
FMO2-HF: Electronic energy | -5325122.57758 |
---|---|
FMO2-HF: Nuclear repulsion | 5185868.743491 |
FMO2-HF: Total energy | -139253.834089 |
FMO2-MP2: Total energy | -139654.548046 |
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(I:1:MET )
Summations of interaction energy for
fragment #1(I: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. |
-6.204 | -4.114 | 6.482 | -2.504 | -6.067 | 0.007 |
Interaction energy analysis for fragmet #1(I: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 | I | 3 | ASN | 0 | 0.057 | 0.027 | 3.788 | -0.490 | 1.107 | -0.011 | -0.713 | -0.873 | 0.004 |
4 | I | 4 | PHE | 0 | -0.016 | 0.004 | 6.186 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | I | 5 | ILE | 0 | 0.024 | 0.020 | 8.144 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | I | 6 | ASN | 0 | -0.034 | -0.017 | 9.875 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | I | 7 | ILE | 0 | 0.021 | 0.005 | 13.296 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | I | 8 | HIS | 0 | 0.048 | 0.020 | 15.767 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | I | 9 | VAL | 0 | 0.004 | 0.008 | 19.107 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | I | 10 | LEU | 0 | -0.013 | -0.002 | 22.161 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | I | 11 | ILE | 0 | -0.015 | -0.012 | 25.651 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | I | 12 | SER | 0 | 0.018 | 0.021 | 28.002 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | I | 13 | HIS | 1 | 0.888 | 0.934 | 30.499 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | I | 14 | SER | 0 | 0.020 | 0.020 | 34.108 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | I | 15 | PRO | 0 | 0.062 | 0.035 | 35.951 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | I | 16 | SER | 0 | 0.016 | 0.006 | 37.679 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | I | 17 | CYS | 0 | -0.028 | -0.029 | 39.376 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | I | 18 | LEU | 0 | -0.006 | 0.018 | 34.299 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | I | 19 | ASN | 0 | -0.064 | -0.053 | 34.034 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | I | 20 | ARG | 1 | 0.960 | 0.980 | 36.678 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | I | 21 | ASP | -1 | -0.868 | -0.919 | 39.484 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | I | 22 | ASP | -1 | -0.930 | -0.968 | 41.151 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | I | 23 | MET | 0 | 0.013 | 0.001 | 44.219 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | I | 24 | ASN | 0 | -0.071 | -0.036 | 45.090 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | I | 25 | MET | 0 | 0.055 | 0.038 | 43.535 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | I | 26 | GLN | 0 | -0.028 | -0.006 | 36.120 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | I | 27 | LYS | 1 | 0.921 | 0.957 | 34.885 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | I | 28 | ASP | -1 | -0.842 | -0.932 | 36.226 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | I | 29 | ALA | 0 | 0.021 | -0.007 | 33.623 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | I | 30 | ILE | 0 | 0.027 | 0.030 | 35.601 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | I | 31 | PHE | 0 | -0.019 | -0.014 | 28.546 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | I | 32 | GLY | 0 | 0.083 | 0.045 | 33.864 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | I | 33 | GLY | 0 | -0.035 | -0.001 | 35.072 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | I | 34 | LYS | 1 | 0.877 | 0.938 | 37.217 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | I | 35 | ARG | 1 | 0.899 | 0.949 | 37.084 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | I | 36 | ARG | 1 | 0.795 | 0.879 | 31.876 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | I | 37 | VAL | 0 | 0.022 | 0.016 | 35.189 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | I | 38 | ARG | 1 | 0.855 | 0.906 | 31.382 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | I | 39 | ILE | 0 | -0.043 | -0.019 | 30.280 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | I | 40 | SER | 0 | -0.111 | -0.112 | 29.897 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | I | 41 | SER | 0 | 0.080 | 0.031 | 25.559 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | I | 42 | GLN | 0 | 0.116 | 0.102 | 27.129 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | I | 43 | SER | 0 | -0.027 | -0.010 | 29.382 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | I | 44 | LEU | 0 | 0.041 | 0.021 | 25.210 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | I | 45 | LYS | 1 | 0.987 | 0.999 | 23.285 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | I | 46 | ARG | 1 | 0.892 | 0.947 | 26.184 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | I | 47 | ALA | 0 | -0.005 | 0.000 | 29.054 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | I | 48 | MET | 0 | 0.050 | 0.025 | 22.590 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | I | 49 | ARG | 1 | 0.932 | 0.998 | 25.623 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | I | 50 | LYS | 1 | 0.851 | 0.915 | 26.600 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | I | 51 | SER | 0 | 0.009 | 0.002 | 26.577 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | I | 52 | GLY | 0 | 0.060 | 0.018 | 28.343 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | I | 53 | TYR | 0 | 0.015 | -0.015 | 20.245 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | I | 54 | TYR | 0 | 0.065 | 0.009 | 21.736 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | I | 55 | ALA | 0 | -0.019 | -0.009 | 24.282 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | I | 56 | GLN | 0 | -0.056 | -0.015 | 26.111 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | I | 57 | ASN | 0 | -0.061 | -0.034 | 20.956 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | I | 58 | ILE | 0 | -0.065 | -0.016 | 18.534 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | I | 59 | GLY | 0 | 0.056 | 0.023 | 21.039 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | I | 60 | GLU | -1 | -0.948 | -0.965 | 23.770 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | I | 61 | SER | 0 | -0.080 | -0.023 | 25.068 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | I | 62 | SER | 0 | -0.040 | -0.106 | 25.901 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | I | 63 | LEU | 0 | -0.030 | -0.008 | 27.522 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | I | 64 | ARG | 1 | 0.827 | 0.910 | 25.688 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | I | 65 | THR | 0 | 0.048 | 0.018 | 32.212 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | I | 66 | ILE | 0 | 0.055 | 0.024 | 35.364 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | I | 67 | HIS | 0 | -0.037 | -0.020 | 38.098 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | I | 68 | LEU | 0 | 0.045 | 0.013 | 36.947 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | I | 69 | ALA | 0 | 0.036 | 0.038 | 40.040 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | I | 70 | GLN | 0 | 0.030 | 0.006 | 41.266 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | I | 71 | LEU | 0 | -0.034 | -0.009 | 34.569 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | I | 72 | ARG | 1 | 0.859 | 0.937 | 38.197 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | I | 73 | ASP | -1 | -0.861 | -0.927 | 40.434 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | I | 74 | VAL | 0 | -0.045 | -0.025 | 36.226 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | I | 75 | LEU | 0 | -0.006 | -0.019 | 33.687 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | I | 76 | ARG | 1 | 0.764 | 0.860 | 37.353 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | I | 77 | GLN | 0 | -0.028 | -0.012 | 40.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | I | 78 | LYS | 1 | 0.909 | 0.941 | 32.651 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | I | 79 | LEU | 0 | -0.010 | 0.005 | 32.744 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | I | 80 | GLY | 0 | 0.014 | 0.021 | 36.755 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | I | 81 | GLU | -1 | -0.943 | -0.962 | 37.824 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | I | 82 | ARG | 1 | 0.880 | 0.940 | 29.499 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | I | 83 | PHE | 0 | 0.003 | -0.007 | 32.675 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | I | 84 | ASP | -1 | -0.854 | -0.921 | 38.729 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | I | 85 | GLN | 0 | -0.006 | -0.026 | 41.206 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | I | 86 | LYS | 1 | 0.992 | 1.001 | 42.253 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | I | 87 | ILE | 0 | 0.061 | 0.041 | 37.436 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | I | 88 | ILE | 0 | -0.015 | 0.025 | 37.217 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | I | 89 | ASP | -1 | -0.802 | -0.895 | 38.186 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | I | 90 | LYS | 1 | 0.921 | 0.968 | 38.946 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | I | 91 | THR | 0 | 0.027 | -0.028 | 33.489 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | I | 92 | LEU | 0 | -0.017 | -0.007 | 35.402 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | I | 93 | ALA | 0 | -0.007 | -0.005 | 36.669 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | I | 94 | LEU | 0 | -0.042 | -0.009 | 35.645 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | I | 95 | LEU | 0 | 0.005 | 0.005 | 30.655 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | I | 96 | SER | 0 | -0.014 | -0.008 | 33.758 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | I | 97 | GLY | 0 | 0.000 | 0.006 | 36.063 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | I | 98 | LYS | 1 | 0.812 | 0.918 | 38.546 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | I | 99 | SER | 0 | 0.011 | -0.001 | 41.353 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | I | 100 | VAL | 0 | -0.018 | -0.016 | 40.526 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | I | 101 | ASP | -1 | -0.811 | -0.883 | 43.843 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | I | 102 | GLU | -1 | -0.823 | -0.924 | 46.498 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | I | 103 | ALA | 0 | -0.045 | -0.008 | 48.605 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | I | 104 | GLU | -1 | -0.948 | -0.977 | 48.269 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | I | 105 | LYS | 1 | 0.901 | 0.931 | 46.680 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | I | 106 | ILE | 0 | 0.044 | 0.032 | 42.756 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | I | 107 | SER | 0 | -0.023 | -0.014 | 42.050 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | I | 108 | ALA | 0 | -0.006 | 0.001 | 37.235 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | I | 109 | ASP | -1 | -0.799 | -0.898 | 37.479 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | I | 110 | ALA | 0 | 0.001 | -0.017 | 35.152 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | I | 111 | VAL | 0 | -0.053 | -0.013 | 33.511 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | I | 112 | THR | 0 | -0.008 | 0.001 | 30.177 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | I | 113 | PRO | 0 | -0.071 | -0.050 | 27.233 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | I | 114 | TRP | 0 | 0.051 | 0.030 | 28.894 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | I | 115 | VAL | 0 | 0.047 | 0.027 | 24.241 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | I | 116 | VAL | 0 | 0.022 | 0.004 | 27.533 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | I | 117 | GLY | 0 | 0.044 | 0.027 | 26.423 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | I | 118 | GLU | -1 | -0.763 | -0.883 | 24.185 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | I | 119 | ILE | 0 | -0.017 | -0.012 | 26.615 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | I | 120 | ALA | 0 | 0.021 | 0.016 | 29.502 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | I | 121 | TRP | 0 | 0.091 | 0.048 | 24.899 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | I | 122 | PHE | 0 | 0.006 | -0.017 | 27.196 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | I | 123 | CYS | 0 | -0.057 | -0.017 | 30.345 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | I | 124 | GLU | -1 | -0.941 | -0.967 | 29.363 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | I | 125 | GLN | 0 | -0.054 | -0.026 | 28.784 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | I | 126 | VAL | 0 | -0.024 | -0.009 | 31.899 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | I | 127 | ALA | 0 | 0.035 | 0.011 | 35.231 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | I | 128 | LYS | 1 | 0.927 | 0.969 | 29.951 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | I | 129 | ALA | 0 | 0.012 | 0.002 | 35.271 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | I | 130 | GLU | -1 | -0.974 | -0.985 | 36.766 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | I | 131 | ALA | 0 | -0.053 | -0.032 | 38.891 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | I | 132 | ASP | -1 | -0.938 | -0.967 | 36.982 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | I | 133 | ASN | 0 | -0.106 | -0.038 | 39.400 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | I | 134 | LEU | 0 | 0.001 | 0.000 | 34.997 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | I | 135 | ASP | -1 | -0.868 | -0.936 | 39.232 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | I | 136 | ASP | -1 | -0.852 | -0.965 | 37.606 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | I | 137 | LYS | 1 | 0.896 | 0.962 | 36.343 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | I | 138 | LYS | 1 | 0.991 | 0.978 | 35.431 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | I | 139 | LEU | 0 | 0.040 | 0.047 | 32.418 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | I | 140 | LEU | 0 | 0.014 | -0.008 | 30.874 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | I | 141 | LYS | 1 | 0.855 | 0.933 | 30.607 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | I | 142 | VAL | 0 | 0.018 | -0.003 | 29.800 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | I | 143 | LEU | 0 | 0.012 | 0.003 | 27.472 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | I | 144 | LYS | 1 | 0.848 | 0.931 | 25.950 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | I | 145 | GLU | -1 | -0.946 | -0.960 | 25.032 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | I | 146 | ASP | -1 | -0.890 | -0.946 | 20.538 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | I | 147 | ILE | 0 | 0.039 | 0.016 | 19.577 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | I | 148 | ALA | 0 | 0.022 | 0.016 | 16.499 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | I | 149 | ALA | 0 | 0.043 | 0.023 | 18.298 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | I | 150 | ILE | 0 | -0.052 | -0.035 | 20.853 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | I | 151 | ARG | 1 | 0.836 | 0.900 | 17.546 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | I | 152 | VAL | 0 | 0.088 | 0.068 | 17.039 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | I | 153 | ASN | 0 | -0.059 | -0.026 | 18.626 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | I | 154 | LEU | 0 | -0.057 | -0.036 | 18.818 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | I | 155 | GLN | 0 | -0.045 | -0.020 | 15.377 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | I | 156 | GLN | 0 | -0.003 | 0.001 | 18.978 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | I | 157 | GLY | 0 | -0.015 | -0.019 | 21.343 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | I | 158 | VAL | 0 | 0.103 | 0.058 | 17.261 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | I | 159 | ASP | -1 | -0.799 | -0.837 | 19.475 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | I | 160 | ILE | 0 | -0.040 | -0.033 | 21.794 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | I | 161 | ALA | 0 | 0.037 | 0.038 | 16.599 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | I | 162 | LEU | 0 | 0.026 | 0.019 | 16.076 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | I | 163 | SER | 0 | -0.125 | -0.060 | 18.463 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | I | 164 | GLY | 0 | 0.080 | 0.050 | 21.162 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | I | 165 | ARG | 1 | 0.728 | 0.845 | 22.412 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | I | 166 | MET | 0 | 0.004 | 0.019 | 25.362 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | I | 167 | ALA | 0 | 0.015 | 0.016 | 28.074 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | I | 168 | THR | 0 | -0.015 | -0.027 | 30.837 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | I | 169 | SER | 0 | -0.002 | 0.000 | 34.119 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | I | 170 | GLY | 0 | 0.019 | 0.010 | 33.800 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | I | 171 | MET | 0 | 0.013 | -0.002 | 31.581 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | I | 172 | MET | 0 | 0.011 | 0.011 | 27.303 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | I | 173 | THR | 0 | -0.076 | -0.016 | 28.688 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | I | 174 | GLU | -1 | -0.897 | -0.973 | 28.252 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | I | 175 | LEU | 0 | 0.028 | 0.021 | 25.866 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | I | 176 | GLY | 0 | -0.012 | 0.000 | 25.061 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | I | 177 | LYS | 1 | 0.802 | 0.908 | 24.779 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | I | 178 | VAL | 0 | -0.013 | -0.009 | 19.589 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | I | 179 | ASP | -1 | -0.870 | -0.926 | 18.717 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | I | 180 | GLY | 0 | -0.006 | -0.004 | 18.258 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | I | 181 | ALA | 0 | 0.051 | 0.032 | 14.153 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | I | 182 | MET | 0 | -0.088 | -0.047 | 15.563 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | I | 183 | SER | 0 | -0.016 | 0.009 | 17.053 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | I | 184 | ILE | 0 | -0.027 | -0.033 | 18.718 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | I | 185 | ALA | 0 | 0.004 | 0.013 | 21.392 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | I | 186 | HIS | 0 | -0.022 | -0.009 | 24.090 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | I | 187 | ALA | 0 | 0.006 | 0.012 | 27.163 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | I | 188 | ILE | 0 | 0.033 | 0.014 | 28.066 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | I | 189 | THR | 0 | 0.000 | 0.004 | 29.555 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | I | 190 | THR | 0 | -0.022 | -0.016 | 28.775 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | I | 191 | HIS | 0 | 0.071 | 0.040 | 31.368 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | I | 192 | GLN | 0 | 0.028 | 0.009 | 35.082 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | I | 193 | VAL | 0 | -0.037 | -0.020 | 37.419 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | I | 194 | ASP | -1 | -0.855 | -0.907 | 39.809 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | I | 195 | SER | 0 | 0.040 | 0.009 | 42.986 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | I | 196 | ASP | -1 | -0.960 | -0.980 | 43.059 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | I | 197 | ILE | 0 | 0.025 | 0.000 | 45.162 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | I | 198 | ASP | -1 | -0.871 | -0.929 | 48.968 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | I | 199 | TRP | 0 | 0.005 | -0.029 | 49.890 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | I | 200 | PHE | 0 | -0.031 | -0.001 | 54.533 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | I | 201 | THR | 0 | 0.014 | 0.002 | 54.496 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | I | 202 | ALA | 0 | 0.018 | 0.020 | 53.772 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | I | 203 | VAL | 0 | -0.075 | -0.030 | 55.754 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | I | 204 | ASP | -1 | -0.922 | -0.963 | 59.016 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | I | 205 | ASP | -1 | -0.982 | -0.984 | 56.485 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | I | 206 | LEU | 0 | -0.118 | -0.050 | 56.927 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | I | 207 | NME | 0 | -0.014 | -0.002 | 59.252 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | I | 214 | ACE | 0 | 0.017 | -0.002 | 44.672 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | I | 215 | GLY | 0 | -0.028 | -0.017 | 42.302 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | I | 216 | THR | 0 | -0.036 | 0.002 | 42.527 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | I | 217 | GLN | 0 | -0.002 | -0.016 | 41.326 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | I | 218 | GLU | -1 | -0.863 | -0.919 | 36.802 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | I | 219 | PHE | 0 | 0.039 | 0.006 | 41.040 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | I | 220 | SER | 0 | -0.060 | -0.034 | 41.225 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | I | 221 | SER | 0 | 0.002 | -0.017 | 36.297 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | I | 222 | GLY | 0 | 0.033 | 0.030 | 35.478 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | I | 223 | VAL | 0 | 0.019 | 0.009 | 29.811 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | I | 224 | PHE | 0 | -0.057 | -0.035 | 29.048 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | I | 225 | TYR | 0 | 0.031 | 0.014 | 20.469 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | I | 226 | ARG | 1 | 0.763 | 0.857 | 23.371 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | I | 227 | TYR | 0 | 0.016 | 0.031 | 15.686 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | I | 228 | ALA | 0 | -0.008 | -0.026 | 18.217 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | I | 229 | ASN | 0 | -0.049 | -0.023 | 13.476 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | I | 230 | ILE | 0 | 0.032 | 0.002 | 11.781 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | I | 231 | ASN | 0 | 0.050 | 0.037 | 10.886 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | I | 232 | LEU | 0 | 0.044 | 0.014 | 6.201 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | I | 233 | ALA | 0 | 0.048 | 0.025 | 7.825 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | I | 234 | GLN | 0 | 0.018 | 0.010 | 8.767 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | I | 235 | LEU | 0 | -0.029 | -0.013 | 10.911 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | I | 236 | GLN | 0 | -0.040 | -0.031 | 5.343 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | I | 237 | GLU | -1 | -0.931 | -0.951 | 10.178 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | I | 238 | ASN | 0 | -0.058 | -0.047 | 12.742 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | I | 239 | LEU | 0 | -0.041 | -0.027 | 12.724 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | I | 240 | GLY | 0 | -0.008 | -0.009 | 14.964 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | I | 241 | GLY | 0 | -0.016 | -0.007 | 11.266 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | I | 242 | ALA | 0 | -0.039 | 0.002 | 10.380 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | I | 243 | SER | 0 | 0.055 | 0.021 | 7.035 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | I | 244 | ARG | 1 | 0.915 | 0.935 | 1.986 | -3.393 | -3.420 | 6.477 | -1.660 | -4.790 | 0.003 |
239 | I | 245 | GLU | -1 | -0.888 | -0.943 | 5.417 | -0.334 | -0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | I | 246 | GLN | 0 | 0.043 | 0.009 | 8.145 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | I | 247 | ALA | 0 | -0.026 | -0.001 | 7.840 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | I | 248 | LEU | 0 | -0.003 | -0.004 | 5.689 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | I | 249 | GLU | -1 | -0.820 | -0.904 | 9.686 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | I | 250 | ILE | 0 | 0.000 | 0.002 | 12.953 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | I | 251 | ALA | 0 | -0.017 | -0.022 | 11.774 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | I | 252 | THR | 0 | 0.005 | 0.005 | 12.852 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | I | 253 | HIS | 0 | 0.033 | 0.026 | 15.107 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | I | 254 | VAL | 0 | -0.023 | -0.010 | 16.794 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | I | 255 | VAL | 0 | -0.002 | -0.004 | 14.826 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | I | 256 | HIS | 0 | 0.058 | 0.040 | 17.948 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | I | 257 | MET | 0 | -0.008 | 0.008 | 20.867 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | I | 258 | LEU | 0 | -0.037 | -0.010 | 19.685 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | I | 259 | ALA | 0 | -0.002 | -0.007 | 21.587 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | I | 260 | THR | 0 | -0.057 | -0.039 | 23.357 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | I | 261 | GLU | -1 | -0.919 | -0.947 | 26.173 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | I | 262 | VAL | 0 | -0.035 | -0.022 | 28.184 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | I | 263 | PRO | 0 | -0.024 | -0.004 | 30.641 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | I | 264 | GLY | 0 | -0.001 | 0.001 | 33.066 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | I | 265 | ALA | 0 | 0.027 | 0.005 | 35.581 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | I | 266 | LYS | 1 | 0.877 | 0.946 | 36.571 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | I | 267 | GLN | 0 | 0.075 | 0.034 | 32.490 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | I | 268 | ARG | 1 | 0.803 | 0.899 | 28.291 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | I | 269 | THR | 0 | 0.019 | 0.009 | 32.839 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | I | 270 | TYR | 0 | 0.003 | 0.003 | 33.060 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | I | 271 | ALA | 0 | -0.040 | -0.013 | 32.429 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | I | 272 | ALA | 0 | 0.000 | -0.002 | 32.973 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | I | 273 | PHE | 0 | -0.022 | 0.008 | 34.591 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | I | 274 | ASN | 0 | 0.078 | 0.035 | 29.569 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | I | 275 | PRO | 0 | 0.020 | 0.006 | 26.255 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | I | 276 | ALA | 0 | -0.009 | -0.026 | 24.487 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | I | 277 | ASP | -1 | -0.870 | -0.920 | 26.490 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | I | 278 | MET | 0 | -0.010 | 0.006 | 21.390 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | I | 279 | VAL | 0 | -0.008 | -0.005 | 18.398 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | I | 280 | MET | 0 | 0.001 | 0.018 | 15.321 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | I | 281 | VAL | 0 | -0.026 | -0.007 | 11.693 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | I | 282 | ASN | 0 | -0.011 | -0.018 | 11.570 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | I | 283 | PHE | 0 | 0.003 | 0.016 | 5.796 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | I | 284 | SER | 0 | -0.032 | -0.037 | 8.004 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | I | 285 | ASP | -1 | -0.823 | -0.917 | 6.715 | -0.944 | -0.944 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | I | 286 | MET | 0 | -0.022 | -0.013 | 8.952 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | I | 287 | PRO | 0 | -0.048 | 0.012 | 12.545 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | I | 288 | LEU | 0 | 0.051 | 0.011 | 14.215 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | I | 289 | SER | 0 | -0.014 | -0.009 | 16.966 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | I | 290 | MET | 0 | 0.039 | 0.011 | 18.482 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | I | 291 | ALA | 0 | 0.004 | 0.003 | 21.671 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | I | 292 | ASN | 0 | 0.019 | 0.001 | 24.724 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | I | 293 | ALA | 0 | -0.030 | 0.007 | 25.054 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | I | 294 | PHE | 0 | -0.029 | -0.030 | 25.273 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | I | 295 | GLU | -1 | -0.922 | -0.918 | 29.719 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | I | 296 | LYS | 1 | 0.997 | 0.987 | 31.429 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | I | 297 | ALA | 0 | -0.039 | -0.014 | 33.188 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | I | 298 | VAL | 0 | -0.004 | -0.007 | 31.527 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | I | 299 | LYS | 1 | 0.818 | 0.911 | 34.614 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | I | 300 | ALA | 0 | -0.020 | -0.009 | 37.243 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | I | 301 | LYS | 1 | 0.960 | 0.982 | 34.447 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | I | 302 | ASP | -1 | -0.910 | -0.938 | 38.379 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | I | 303 | GLY | 0 | 0.091 | 0.054 | 37.934 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | I | 304 | PHE | 0 | -0.005 | -0.041 | 34.401 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | I | 305 | LEU | 0 | 0.019 | 0.021 | 29.045 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | I | 306 | GLN | 0 | 0.126 | 0.050 | 30.606 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | I | 307 | PRO | 0 | -0.052 | -0.023 | 31.322 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | I | 308 | SER | 0 | 0.006 | 0.005 | 29.223 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | I | 309 | ILE | 0 | 0.043 | 0.014 | 25.643 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | I | 310 | GLN | 0 | 0.001 | 0.016 | 26.716 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | I | 311 | ALA | 0 | -0.028 | -0.014 | 28.079 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | I | 312 | PHE | 0 | -0.023 | -0.025 | 19.418 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | I | 313 | ASN | 0 | 0.081 | 0.029 | 23.262 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | I | 314 | GLN | 0 | 0.023 | 0.012 | 23.726 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | I | 315 | TYR | 0 | -0.062 | -0.037 | 23.123 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | I | 316 | TRP | 0 | 0.080 | 0.026 | 14.465 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | I | 317 | ASP | -1 | -0.800 | -0.906 | 20.020 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | I | 318 | ARG | 1 | 0.863 | 0.918 | 21.303 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | I | 319 | VAL | 0 | -0.007 | 0.005 | 18.400 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | I | 320 | ALA | 0 | 0.016 | 0.010 | 16.678 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | I | 321 | ASN | 0 | -0.030 | -0.024 | 17.410 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | I | 322 | GLY | 0 | -0.007 | 0.003 | 19.779 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | I | 323 | TYR | 0 | -0.062 | -0.042 | 17.180 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | I | 324 | GLY | 0 | -0.014 | 0.015 | 15.796 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | I | 325 | LEU | 0 | -0.051 | -0.019 | 12.479 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | I | 326 | ASN | 0 | -0.011 | -0.008 | 10.578 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | I | 327 | GLY | 0 | 0.018 | 0.024 | 7.633 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | I | 328 | ALA | 0 | 0.028 | 0.016 | 7.489 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | I | 329 | ALA | 0 | 0.007 | -0.028 | 9.146 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | I | 330 | ALA | 0 | 0.023 | 0.034 | 12.604 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | I | 331 | GLN | 0 | 0.022 | -0.010 | 15.154 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | I | 332 | PHE | 0 | -0.035 | -0.007 | 18.686 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | I | 333 | SER | 0 | 0.014 | -0.018 | 21.570 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | I | 334 | LEU | 0 | -0.004 | 0.016 | 25.042 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | I | 335 | SER | 0 | -0.040 | -0.021 | 28.100 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | I | 336 | ASP | -1 | -0.937 | -0.957 | 28.934 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | I | 337 | VAL | 0 | -0.056 | -0.026 | 28.512 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | I | 338 | ASP | -1 | -0.873 | -0.940 | 29.240 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | I | 339 | PRO | 0 | -0.028 | -0.012 | 25.099 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | I | 340 | ILE | 0 | -0.069 | -0.038 | 19.470 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | I | 341 | THR | 0 | -0.052 | -0.025 | 21.515 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | I | 342 | ALA | 0 | 0.018 | 0.016 | 17.071 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | I | 343 | GLN | 0 | 0.006 | 0.013 | 13.224 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | I | 344 | VAL | 0 | -0.023 | -0.021 | 14.601 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | I | 345 | LYS | 1 | 0.846 | 0.919 | 12.967 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | I | 346 | GLN | 0 | 0.023 | 0.009 | 16.887 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | I | 347 | MET | 0 | -0.017 | -0.009 | 15.559 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | I | 348 | PRO | 0 | 0.032 | 0.017 | 20.553 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | I | 349 | THR | 0 | 0.005 | -0.006 | 22.675 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | I | 350 | LEU | 0 | 0.038 | 0.020 | 20.746 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | I | 351 | GLU | -1 | -0.834 | -0.940 | 20.025 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | I | 352 | GLN | 0 | 0.021 | 0.011 | 19.147 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | I | 353 | LEU | 0 | 0.052 | 0.031 | 15.504 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | I | 354 | LYS | 1 | 0.800 | 0.896 | 15.229 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | I | 355 | SER | 0 | -0.017 | -0.017 | 14.809 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | I | 356 | TRP | 0 | 0.041 | 0.051 | 10.579 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | I | 357 | VAL | 0 | -0.048 | -0.029 | 10.757 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | I | 358 | ARG | 1 | 0.867 | 0.916 | 9.957 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | I | 359 | ASN | 0 | -0.017 | -0.003 | 9.388 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | I | 360 | ASN | 0 | 0.002 | -0.011 | 3.186 | -1.704 | -1.184 | 0.016 | -0.131 | -0.404 | 0.000 |
355 | I | 361 | GLY | 0 | 0.012 | 0.008 | 6.257 | 0.624 | 0.624 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | I | 362 | GLU | -1 | -0.979 | -0.991 | 7.320 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | I | 363 | ALA | -1 | -0.894 | -0.935 | 10.341 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |