FMODB ID: 5NNRZ
Calculation Name: 4B7L-A-Xray372
Preferred Name: Filamin-B
Target Type: SINGLE PROTEIN
Ligand Name:
ligand 3-letter code:
PDB ID: 4B7L
Chain ID: A
ChEMBL ID: CHEMBL4295677
UniProt ID: O75369
Base Structure: X-ray
Registration Date: 2023-09-27
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 | 328 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4542128.853692 |
---|---|
FMO2-HF: Nuclear repulsion | 4412195.992649 |
FMO2-HF: Total energy | -129932.861043 |
FMO2-MP2: Total energy | -130313.998338 |
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(A:13:PRO)
Summations of interaction energy for
fragment #1(A:13:PRO)
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. |
-22.738 | -15.21 | 1.137 | -3.418 | -5.248 | 0.007 |
Interaction energy analysis for fragmet #1(A:13:PRO)
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 | 15 | LYS | 1 | 0.924 | 0.960 | 3.018 | -8.264 | -4.871 | 0.184 | -1.634 | -1.943 | 0.012 |
4 | A | 16 | LYS | 1 | 0.946 | 0.984 | 2.797 | -4.616 | -2.885 | 0.390 | -0.658 | -1.463 | 0.003 |
5 | A | 17 | ILE | 0 | 0.055 | 0.032 | 4.184 | -1.088 | -0.698 | 0.000 | -0.097 | -0.293 | 0.000 |
6 | A | 18 | GLN | 0 | 0.011 | 0.015 | 6.133 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 19 | GLN | 0 | -0.021 | -0.006 | 7.721 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 20 | ASN | 0 | -0.049 | -0.018 | 8.322 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 21 | THR | 0 | 0.037 | 0.015 | 10.061 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 22 | PHE | 0 | -0.031 | -0.030 | 11.971 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 23 | THR | 0 | -0.015 | -0.014 | 12.805 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 24 | ARG | 1 | 0.771 | 0.877 | 11.126 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 25 | TRP | 0 | 0.053 | 0.021 | 16.141 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 26 | CYS | 0 | -0.036 | -0.022 | 17.598 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 27 | ASN | 0 | 0.006 | -0.005 | 18.145 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 28 | GLU | -1 | -0.865 | -0.934 | 20.533 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 29 | HIS | 0 | 0.021 | 0.026 | 22.062 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 30 | LEU | 0 | -0.028 | -0.010 | 22.079 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 31 | LYS | 1 | 0.938 | 0.982 | 24.387 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 32 | SER | 0 | -0.042 | -0.026 | 26.544 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 33 | VAL | 0 | -0.022 | -0.014 | 28.614 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 34 | ASN | 0 | -0.044 | -0.023 | 29.338 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 35 | LYS | 1 | 0.915 | 0.971 | 25.926 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 36 | ARG | 1 | 0.979 | 0.972 | 18.383 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 37 | ILE | 0 | -0.037 | -0.015 | 17.045 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 38 | GLY | 0 | -0.044 | -0.019 | 18.236 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 39 | ASN | 0 | 0.016 | -0.010 | 13.935 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 40 | LEU | 0 | 0.015 | 0.002 | 12.945 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 41 | GLN | 0 | -0.037 | -0.020 | 12.494 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 42 | THR | 0 | 0.036 | 0.007 | 14.957 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 43 | ASP | -1 | -0.832 | -0.888 | 18.288 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 44 | LEU | 0 | 0.002 | -0.013 | 18.191 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 45 | SER | 0 | -0.010 | 0.012 | 20.797 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 46 | ASP | -1 | -0.848 | -0.937 | 22.476 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 47 | GLY | 0 | 0.029 | -0.003 | 24.842 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 48 | LEU | 0 | -0.022 | -0.003 | 26.377 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 49 | ARG | 1 | 0.899 | 0.934 | 22.520 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 50 | LEU | 0 | 0.020 | 0.022 | 22.281 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 51 | ILE | 0 | 0.031 | 0.010 | 24.455 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 52 | ALA | 0 | -0.012 | -0.003 | 27.160 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 53 | LEU | 0 | -0.010 | -0.006 | 21.555 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 54 | LEU | 0 | 0.008 | -0.005 | 25.101 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 55 | GLU | -1 | -0.827 | -0.903 | 27.576 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 56 | VAL | 0 | -0.043 | -0.008 | 27.701 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 57 | LEU | 0 | -0.052 | -0.027 | 23.665 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 58 | SER | 0 | -0.044 | -0.036 | 28.197 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 59 | GLN | 0 | -0.050 | -0.021 | 31.197 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 60 | LYS | 1 | 0.851 | 0.932 | 33.460 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 61 | ARG | 1 | 0.887 | 0.944 | 33.965 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 62 | MET | 0 | -0.024 | 0.002 | 30.244 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 63 | TYR | 0 | 0.036 | 0.014 | 35.348 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 64 | ARG | 1 | 0.919 | 0.970 | 36.374 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 65 | LYS | 1 | 0.957 | 0.964 | 36.685 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 66 | TYR | 0 | 0.023 | 0.018 | 32.881 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 67 | HIS | 0 | -0.019 | -0.020 | 33.265 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 68 | GLN | 0 | 0.049 | 0.011 | 33.083 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 69 | ARG | 1 | 0.924 | 0.958 | 33.154 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 70 | PRO | 0 | 0.008 | 0.012 | 29.702 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 71 | THR | 0 | 0.035 | 0.002 | 30.602 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 72 | PHE | 0 | 0.044 | 0.015 | 30.724 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 73 | ARG | 1 | 0.877 | 0.917 | 25.476 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 74 | GLN | 0 | -0.006 | 0.001 | 29.251 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 75 | MET | 0 | 0.005 | 0.033 | 32.183 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 76 | GLN | 0 | -0.008 | 0.003 | 25.885 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 77 | LEU | 0 | -0.010 | -0.006 | 26.875 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 78 | GLU | -1 | -0.840 | -0.892 | 29.064 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 79 | ASN | 0 | 0.002 | -0.007 | 29.444 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 80 | VAL | 0 | 0.006 | -0.001 | 24.878 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 81 | SER | 0 | -0.044 | -0.041 | 27.658 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 82 | VAL | 0 | 0.002 | 0.013 | 30.347 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 83 | ALA | 0 | -0.023 | -0.006 | 27.071 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 84 | LEU | 0 | -0.013 | -0.022 | 24.432 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 85 | GLU | -1 | -0.927 | -0.950 | 28.266 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 86 | PHE | 0 | -0.028 | -0.027 | 29.807 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 87 | LEU | 0 | 0.001 | -0.013 | 24.929 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 88 | ASP | -1 | -0.906 | -0.947 | 29.139 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 89 | ARG | 1 | 0.835 | 0.920 | 31.050 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 90 | GLU | -1 | -0.866 | -0.916 | 30.557 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 91 | SER | 0 | -0.067 | -0.019 | 31.468 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 92 | ILE | 0 | -0.049 | -0.014 | 25.119 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 93 | LYS | 1 | 0.958 | 0.966 | 26.007 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 94 | LEU | 0 | 0.059 | 0.031 | 22.660 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 95 | VAL | 0 | -0.019 | -0.011 | 18.572 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 96 | SER | 0 | -0.048 | -0.028 | 19.034 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 97 | ILE | 0 | 0.004 | 0.001 | 18.782 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 98 | ASP | -1 | -0.783 | -0.884 | 22.065 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 99 | SER | 0 | 0.055 | 0.003 | 23.423 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 100 | LYS | 1 | 0.911 | 0.947 | 23.086 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 101 | ALA | 0 | -0.015 | 0.016 | 19.341 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 102 | ILE | 0 | -0.008 | -0.004 | 19.153 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 103 | VAL | 0 | -0.013 | -0.007 | 20.402 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 104 | ASP | -1 | -0.811 | -0.904 | 21.073 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 105 | GLY | 0 | 0.015 | 0.022 | 17.488 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 106 | ASN | 0 | 0.010 | -0.010 | 14.861 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 107 | LEU | 0 | 0.064 | 0.024 | 8.713 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 108 | LYS | 1 | 0.932 | 0.958 | 10.895 | -0.643 | -0.643 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 109 | LEU | 0 | -0.014 | -0.001 | 11.833 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 110 | ILE | 0 | 0.022 | 0.028 | 14.753 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 111 | LEU | 0 | -0.024 | -0.009 | 9.027 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 112 | GLY | 0 | 0.010 | 0.008 | 13.456 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 113 | LEU | 0 | 0.016 | 0.016 | 15.578 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 114 | VAL | 0 | 0.024 | 0.005 | 15.657 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 115 | TRP | 0 | 0.019 | 0.004 | 14.894 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 116 | THR | 0 | -0.033 | -0.019 | 16.882 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 117 | LEU | 0 | -0.002 | 0.002 | 20.150 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 118 | ILE | 0 | -0.009 | 0.005 | 16.238 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 119 | LEU | 0 | -0.027 | -0.021 | 19.873 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 120 | HIS | 0 | 0.020 | 0.002 | 21.303 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 121 | TYR | 0 | 0.080 | 0.020 | 24.214 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 122 | SER | 0 | 0.011 | 0.012 | 21.755 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 123 | ILE | 0 | -0.036 | -0.020 | 19.487 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 124 | SER | 0 | -0.087 | -0.040 | 24.133 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 125 | MET | 0 | -0.001 | 0.009 | 26.682 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 126 | PRO | 0 | -0.026 | 0.010 | 26.918 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 127 | VAL | 0 | 0.046 | 0.042 | 30.098 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 128 | TRP | 0 | -0.040 | -0.038 | 24.743 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 129 | GLU | -1 | -0.885 | -0.930 | 32.058 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 137 | LYS | 1 | 1.070 | 1.029 | 32.283 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 138 | LYS | 1 | 0.913 | 0.960 | 31.069 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 139 | GLN | 0 | 0.015 | -0.002 | 27.784 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 140 | THR | 0 | 0.011 | 0.016 | 23.676 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 141 | PRO | 0 | 0.079 | 0.019 | 22.735 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 142 | LYS | 1 | 0.981 | 0.994 | 16.046 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 143 | GLN | 0 | 0.026 | 0.004 | 21.639 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 144 | ARG | 1 | 0.847 | 0.932 | 24.377 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 145 | LEU | 0 | -0.012 | 0.001 | 20.128 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 146 | LEU | 0 | -0.018 | -0.005 | 20.230 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 147 | GLY | 0 | 0.003 | 0.000 | 23.152 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 148 | TRP | 0 | -0.012 | -0.010 | 25.683 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 149 | ILE | 0 | 0.017 | -0.001 | 21.891 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 150 | GLN | 0 | 0.009 | 0.004 | 25.061 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 151 | ASN | 0 | -0.088 | -0.036 | 26.425 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 152 | LYS | 1 | 0.967 | 0.999 | 27.248 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 153 | ILE | 0 | -0.019 | 0.001 | 23.404 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 154 | PRO | 0 | 0.013 | 0.010 | 27.457 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 155 | TYR | 0 | -0.004 | -0.007 | 29.507 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 156 | LEU | 0 | 0.016 | 0.008 | 23.243 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 157 | PRO | 0 | 0.005 | 0.020 | 23.597 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 158 | ILE | 0 | -0.023 | -0.011 | 20.738 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 159 | THR | 0 | -0.024 | -0.023 | 20.861 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 160 | ASN | 0 | -0.019 | -0.013 | 16.158 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 161 | PHE | 0 | 0.008 | -0.015 | 14.984 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 162 | ASN | 0 | 0.050 | 0.015 | 11.094 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 163 | GLN | 0 | 0.037 | 0.009 | 12.378 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 164 | ASN | 0 | -0.021 | -0.018 | 14.209 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 165 | TRP | 0 | 0.010 | -0.009 | 14.672 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 166 | GLN | 0 | 0.011 | 0.018 | 11.805 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 167 | ASP | -1 | -0.814 | -0.911 | 14.544 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 168 | GLY | 0 | 0.017 | 0.000 | 17.380 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 169 | LYS | 1 | 0.874 | 0.936 | 18.723 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 170 | ALA | 0 | 0.012 | 0.018 | 19.735 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 171 | LEU | 0 | -0.024 | -0.017 | 16.960 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 172 | GLY | 0 | 0.083 | 0.034 | 21.341 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 173 | ALA | 0 | -0.015 | -0.004 | 24.497 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 174 | LEU | 0 | -0.048 | -0.024 | 22.372 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 175 | VAL | 0 | 0.015 | -0.004 | 24.092 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 176 | ASP | -1 | -0.807 | -0.908 | 26.722 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 177 | SER | 0 | -0.034 | -0.014 | 28.957 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 178 | CYS | 0 | -0.139 | -0.066 | 27.884 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 179 | ALA | 0 | -0.019 | -0.012 | 30.747 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 180 | PRO | 0 | 0.034 | 0.031 | 32.769 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 181 | GLY | 0 | -0.034 | -0.038 | 33.300 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 182 | LEU | 0 | -0.029 | -0.002 | 29.486 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 183 | CYS | 0 | -0.069 | -0.024 | 27.067 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 184 | PRO | 0 | 0.037 | 0.031 | 29.478 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 185 | ASP | -1 | -0.930 | -0.977 | 31.124 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 186 | TRP | 0 | 0.046 | 0.022 | 26.006 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 187 | GLU | -1 | -0.982 | -0.988 | 26.793 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 188 | SER | 0 | -0.034 | -0.036 | 28.750 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 189 | TRP | 0 | -0.027 | 0.009 | 23.022 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 190 | ASP | -1 | -0.808 | -0.919 | 24.530 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 191 | PRO | 0 | 0.011 | 0.010 | 21.742 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 192 | GLN | 0 | -0.055 | -0.034 | 19.997 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 193 | LYS | 1 | 0.893 | 0.962 | 20.122 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 194 | PRO | 0 | 0.063 | 0.041 | 15.620 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 195 | VAL | 0 | -0.005 | -0.014 | 14.674 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 196 | ASP | -1 | -0.896 | -0.951 | 17.145 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 197 | ASN | 0 | -0.048 | -0.027 | 20.140 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 198 | ALA | 0 | 0.015 | -0.003 | 17.071 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 199 | ARG | 1 | 0.854 | 0.909 | 16.971 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 200 | GLU | -1 | -0.904 | -0.934 | 20.063 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 201 | ALA | 0 | 0.024 | -0.006 | 21.661 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 202 | MET | 0 | -0.099 | -0.046 | 15.737 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 203 | GLN | 0 | 0.004 | 0.013 | 21.375 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 204 | GLN | 0 | 0.060 | 0.036 | 23.515 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 205 | ALA | 0 | -0.032 | -0.027 | 23.478 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 206 | ASP | -1 | -0.898 | -0.943 | 22.929 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 207 | ASP | -1 | -0.832 | -0.919 | 24.867 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 208 | TRP | 0 | -0.034 | -0.031 | 28.213 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 209 | LEU | 0 | -0.010 | -0.006 | 27.185 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 210 | GLY | 0 | -0.064 | -0.023 | 27.631 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 211 | VAL | 0 | -0.035 | -0.015 | 21.713 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 212 | PRO | 0 | 0.065 | 0.056 | 20.890 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 213 | GLN | 0 | -0.025 | -0.018 | 17.560 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 214 | VAL | 0 | -0.049 | -0.033 | 16.034 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 215 | ILE | 0 | -0.022 | 0.003 | 10.506 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 216 | THR | 0 | 0.010 | 0.001 | 11.321 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 217 | PRO | 0 | 0.084 | 0.020 | 13.006 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 218 | GLU | -1 | -0.801 | -0.901 | 11.278 | -0.283 | -0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 219 | GLU | -1 | -0.841 | -0.921 | 7.945 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 220 | ILE | 0 | -0.020 | -0.024 | 9.168 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 221 | ILE | 0 | -0.024 | 0.005 | 11.442 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 222 | HIS | 0 | -0.035 | -0.007 | 3.649 | -0.170 | -0.048 | 0.001 | -0.028 | -0.095 | 0.000 |
204 | A | 223 | PRO | 0 | 0.047 | 0.021 | 6.419 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 224 | ASP | -1 | -0.940 | -0.969 | 2.528 | -6.315 | -4.408 | 0.563 | -0.981 | -1.489 | -0.008 |
206 | A | 225 | VAL | 0 | -0.068 | -0.025 | 4.469 | 0.260 | 0.245 | -0.001 | -0.020 | 0.035 | 0.000 |
207 | A | 226 | ASP | -1 | -0.742 | -0.841 | 6.749 | 0.905 | 0.905 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 227 | GLU | -1 | -0.846 | -0.938 | 8.482 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 228 | HIS | 1 | 0.835 | 0.917 | 11.652 | -0.545 | -0.545 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 229 | SER | 0 | 0.041 | -0.013 | 8.813 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 230 | VAL | 0 | 0.041 | 0.037 | 11.523 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 231 | MET | 0 | -0.083 | -0.040 | 13.910 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 232 | THR | 0 | -0.019 | -0.022 | 14.819 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 233 | TYR | 0 | 0.039 | 0.032 | 15.989 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 234 | LEU | 0 | 0.053 | 0.015 | 17.678 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 235 | SER | 0 | -0.100 | -0.041 | 19.849 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 236 | GLN | 0 | -0.025 | -0.036 | 20.184 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 237 | PHE | 0 | 0.053 | 0.020 | 21.287 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 238 | PRO | 0 | -0.062 | -0.027 | 25.031 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 239 | LYS | 1 | 0.811 | 0.908 | 24.908 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 240 | ALA | 0 | -0.013 | 0.017 | 27.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 241 | LYS | 1 | 0.950 | 0.974 | 29.063 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 242 | LEU | 0 | 0.013 | 0.010 | 31.766 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 243 | LYS | 1 | 0.787 | 0.903 | 28.962 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 244 | PRO | 0 | 0.018 | -0.012 | 34.743 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 245 | GLY | 0 | -0.001 | 0.000 | 37.398 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 246 | ALA | 0 | 0.018 | 0.026 | 34.206 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 247 | PRO | 0 | -0.014 | 0.002 | 33.801 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 248 | LEU | 0 | -0.044 | -0.011 | 34.499 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 249 | LYS | 1 | 0.876 | 0.930 | 35.853 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 250 | PRO | 0 | 0.031 | 0.022 | 36.254 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 251 | LYS | 1 | 1.016 | 1.009 | 34.263 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 252 | LEU | 0 | -0.038 | 0.006 | 37.247 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 253 | ASN | 0 | 0.019 | -0.015 | 40.264 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 254 | PRO | 0 | 0.116 | 0.050 | 43.054 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 255 | LYS | 1 | 0.867 | 0.935 | 46.211 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 256 | LYS | 1 | 0.884 | 0.944 | 43.385 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 257 | ALA | 0 | 0.039 | 0.036 | 47.163 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 258 | ARG | 1 | 0.900 | 0.947 | 49.669 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 259 | ALA | 0 | 0.040 | 0.034 | 53.250 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 260 | TYR | 0 | -0.024 | -0.027 | 55.510 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 261 | GLY | 0 | 0.082 | 0.042 | 59.832 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 262 | ARG | 1 | 1.024 | 0.996 | 63.254 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 263 | GLY | 0 | 0.018 | 0.030 | 64.933 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 264 | ILE | 0 | -0.037 | 0.004 | 60.478 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 265 | GLU | -1 | -0.955 | -0.978 | 63.683 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 266 | PRO | 0 | 0.008 | 0.013 | 65.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 267 | THR | 0 | 0.011 | -0.003 | 68.092 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 268 | GLY | 0 | 0.022 | 0.008 | 70.699 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 269 | ASN | 0 | -0.059 | -0.043 | 67.979 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 270 | MET | 0 | 0.035 | 0.024 | 71.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 271 | VAL | 0 | 0.024 | -0.001 | 74.267 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 272 | LYS | 1 | 0.858 | 0.928 | 74.917 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 273 | GLN | 0 | -0.025 | -0.008 | 74.275 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 274 | PRO | 0 | -0.013 | -0.010 | 69.658 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 275 | ALA | 0 | 0.004 | 0.019 | 67.574 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 276 | LYS | 1 | 0.945 | 0.969 | 64.653 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 277 | PHE | 0 | -0.081 | -0.037 | 58.417 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 278 | THR | 0 | 0.036 | 0.026 | 56.525 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 279 | VAL | 0 | -0.006 | -0.006 | 52.727 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 280 | ASP | -1 | -0.895 | -0.952 | 50.515 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 281 | THR | 0 | 0.019 | -0.006 | 47.930 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 282 | ILE | 0 | 0.033 | 0.019 | 46.053 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 283 | SER | 0 | -0.058 | -0.034 | 43.959 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 284 | ALA | 0 | -0.057 | -0.019 | 43.510 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 285 | GLY | 0 | 0.045 | 0.031 | 41.288 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 286 | GLN | 0 | -0.014 | -0.011 | 38.748 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 287 | GLY | 0 | -0.005 | -0.024 | 42.070 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 288 | ASP | -1 | -0.871 | -0.924 | 45.055 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 289 | VAL | 0 | -0.046 | -0.027 | 48.705 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 290 | MET | 0 | 0.015 | 0.015 | 51.870 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 291 | VAL | 0 | 0.002 | -0.006 | 54.387 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 292 | PHE | 0 | 0.012 | 0.018 | 56.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 293 | VAL | 0 | -0.051 | -0.037 | 60.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 294 | GLU | -1 | -0.940 | -0.964 | 63.713 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 295 | ASP | -1 | -0.816 | -0.920 | 65.583 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 296 | PRO | 0 | -0.053 | -0.041 | 69.298 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 297 | GLU | -1 | -0.933 | -0.957 | 71.674 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 298 | GLY | 0 | -0.016 | 0.009 | 68.092 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 299 | ASN | 0 | -0.099 | -0.047 | 67.024 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 300 | LYS | 1 | 0.897 | 0.946 | 60.417 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 301 | GLU | -1 | -0.916 | -0.954 | 64.586 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 302 | GLU | -1 | -0.968 | -0.980 | 57.520 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 303 | ALA | 0 | -0.072 | -0.039 | 60.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 304 | GLN | 0 | 0.030 | 0.017 | 60.242 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 305 | VAL | 0 | 0.001 | -0.012 | 55.025 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 306 | THR | 0 | -0.015 | -0.010 | 57.174 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 307 | PRO | 0 | 0.006 | 0.013 | 53.005 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 308 | ASP | -1 | -0.760 | -0.795 | 54.989 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 309 | SER | 0 | -0.097 | -0.059 | 52.849 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 310 | ASP | -1 | -0.816 | -0.916 | 50.806 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 311 | LYS | 1 | 0.856 | 0.918 | 46.109 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 312 | ASN | 0 | -0.015 | -0.004 | 48.154 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 313 | LYS | 1 | 0.969 | 1.002 | 48.944 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 314 | THR | 0 | -0.059 | -0.050 | 49.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 315 | TYR | 0 | 0.023 | 0.006 | 48.938 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 316 | SER | 0 | -0.026 | -0.082 | 55.451 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 317 | VAL | 0 | -0.028 | -0.013 | 58.037 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 318 | GLU | -1 | -0.899 | -0.968 | 60.597 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 319 | TYR | 0 | 0.003 | -0.016 | 64.159 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 320 | LEU | 0 | 0.013 | 0.015 | 66.329 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 321 | PRO | 0 | 0.043 | 0.045 | 69.504 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 322 | LYS | 1 | 0.948 | 0.961 | 69.918 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 323 | VAL | 0 | 0.037 | 0.014 | 73.621 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 324 | THR | 0 | -0.012 | -0.012 | 74.557 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 325 | GLY | 0 | 0.083 | 0.039 | 74.398 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 326 | LEU | 0 | -0.039 | -0.022 | 67.881 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 327 | HIS | 0 | -0.014 | -0.005 | 67.426 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 328 | LYS | 1 | 0.953 | 0.977 | 62.993 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 329 | VAL | 0 | 0.019 | 0.017 | 60.313 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 330 | THR | 0 | 0.003 | 0.002 | 56.263 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 331 | VAL | 0 | 0.003 | 0.000 | 54.032 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 332 | LEU | 0 | -0.036 | -0.023 | 51.523 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 333 | PHE | 0 | 0.034 | 0.004 | 44.423 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 334 | ALA | 0 | 0.009 | 0.000 | 44.517 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 335 | GLY | 0 | 0.021 | 0.016 | 46.354 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 336 | GLN | 0 | -0.066 | -0.034 | 45.830 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 337 | HIS | 0 | 0.087 | 0.060 | 49.092 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 338 | ILE | 0 | 0.024 | 0.026 | 50.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 339 | SER | 0 | -0.068 | -0.042 | 51.247 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 340 | LYS | 1 | 0.892 | 0.930 | 52.539 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 341 | SER | 0 | 0.015 | 0.057 | 54.612 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 342 | PRO | 0 | -0.037 | -0.028 | 55.912 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 343 | PHE | 0 | 0.011 | -0.018 | 56.717 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 344 | GLU | -1 | -0.951 | -0.966 | 61.520 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 345 | VAL | 0 | -0.022 | -0.013 | 65.045 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 346 | SER | 0 | -0.029 | -0.011 | 67.643 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 347 | VAL | 0 | -0.031 | -0.005 | 71.381 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |