FMODB ID: R9Y88
Calculation Name: 3KEA-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3KEA
Chain ID: A
UniProt ID: Q6IV60
Base Structure: X-ray
Registration Date: 2023-06-22
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 283 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3655538.593136 |
---|---|
FMO2-HF: Nuclear repulsion | 3541582.560018 |
FMO2-HF: Total energy | -113956.033118 |
FMO2-MP2: Total energy | -114285.614628 |
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:0:GLY)
Summations of interaction energy for
fragment #1(A:0:GLY)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
0.456 | 1.278 | 1.8 | -1.27 | -1.352 | -0.004 |
Interaction energy analysis for fragmet #1(A:0:GLY)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 2 | ASP | -1 | -0.745 | -0.825 | 3.859 | -1.466 | -0.602 | -0.005 | -0.331 | -0.527 | 0.001 |
4 | A | 3 | LEU | 0 | -0.012 | -0.020 | 6.306 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 4 | SER | 0 | -0.027 | -0.031 | 9.768 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 5 | ARG | 1 | 0.900 | 0.933 | 8.254 | 1.033 | 1.033 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 6 | ILE | 0 | 0.012 | 0.022 | 13.264 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 7 | ASN | 0 | -0.023 | -0.016 | 14.606 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 8 | THR | 0 | -0.040 | -0.018 | 15.910 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 9 | TRP | 0 | -0.011 | 0.006 | 10.584 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 10 | LYS | 1 | 0.934 | 0.949 | 17.447 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 11 | SER | 0 | 0.039 | 0.009 | 19.277 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 12 | LYS | 1 | 0.980 | 0.996 | 18.934 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 13 | GLN | 0 | 0.015 | 0.015 | 12.748 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 14 | LEU | 0 | 0.062 | 0.034 | 15.641 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 15 | LYS | 1 | 0.987 | 0.992 | 17.325 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 16 | SER | 0 | -0.011 | 0.002 | 15.137 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 17 | PHE | 0 | 0.020 | 0.017 | 10.581 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 18 | LEU | 0 | 0.008 | 0.010 | 14.146 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 19 | SER | 0 | -0.057 | -0.035 | 17.174 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 20 | SER | 0 | -0.040 | -0.021 | 12.748 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 21 | LYS | 1 | 0.868 | 0.903 | 9.480 | -0.710 | -0.710 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 22 | ASP | -1 | -0.815 | -0.914 | 9.093 | 0.906 | 0.906 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 23 | THR | 0 | -0.061 | -0.010 | 11.683 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 24 | PHE | 0 | 0.018 | 0.002 | 14.607 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 25 | LYS | 1 | 0.891 | 0.957 | 9.379 | -0.714 | -0.714 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 26 | ALA | 0 | 0.032 | 0.015 | 10.545 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 27 | ASP | -1 | -0.773 | -0.878 | 6.694 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 28 | VAL | 0 | -0.012 | -0.021 | 2.269 | 0.059 | 0.017 | 1.805 | -0.939 | -0.825 | -0.005 |
30 | A | 29 | HIS | 0 | -0.062 | -0.022 | 5.413 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 30 | GLY | 0 | -0.015 | 0.004 | 8.797 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 31 | HIS | 1 | 0.825 | 0.917 | 10.266 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 32 | SER | 0 | 0.039 | -0.003 | 11.048 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 33 | ALA | 0 | 0.014 | -0.012 | 13.370 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 34 | SER | 0 | 0.021 | -0.003 | 14.681 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 35 | TYR | 0 | 0.054 | 0.038 | 15.268 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 36 | TYR | 0 | -0.020 | -0.035 | 10.185 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 37 | ALA | 0 | 0.008 | 0.001 | 16.676 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 38 | ILE | 0 | -0.019 | -0.016 | 19.575 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 39 | ALA | 0 | 0.000 | 0.000 | 19.125 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 40 | ASP | -1 | -0.864 | -0.921 | 20.162 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 41 | ASN | 0 | 0.014 | -0.007 | 22.093 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 42 | ASN | 0 | -0.002 | 0.005 | 21.972 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 43 | VAL | 0 | 0.028 | -0.007 | 23.894 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 44 | ARG | 1 | 0.899 | 0.941 | 25.534 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 45 | LEU | 0 | 0.014 | 0.020 | 17.822 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 46 | VAL | 0 | 0.068 | 0.024 | 21.968 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 47 | CYS | 0 | 0.005 | -0.002 | 23.041 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 48 | THR | 0 | -0.077 | -0.029 | 22.018 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 49 | LEU | 0 | 0.005 | 0.015 | 17.696 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 50 | LEU | 0 | -0.001 | -0.001 | 21.243 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 51 | ASN | 0 | -0.051 | -0.029 | 24.345 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 52 | ALA | 0 | -0.041 | -0.014 | 21.011 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 53 | GLY | 0 | 0.024 | 0.013 | 22.826 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 54 | ALA | 0 | 0.004 | 0.005 | 19.684 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 55 | LEU | 0 | 0.024 | -0.001 | 20.840 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 56 | LYS | 1 | 0.904 | 0.957 | 23.447 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 57 | ASN | 0 | -0.083 | -0.050 | 18.751 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 58 | LEU | 0 | -0.013 | 0.016 | 18.388 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 59 | LEU | 0 | 0.005 | -0.002 | 13.566 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 60 | GLU | -1 | -0.898 | -0.960 | 18.189 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 61 | ASN | 0 | -0.068 | -0.024 | 15.571 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 62 | GLU | -1 | -0.857 | -0.889 | 16.896 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 63 | PHE | 0 | 0.076 | 0.036 | 19.971 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 64 | PRO | 0 | 0.007 | -0.006 | 21.471 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 65 | LEU | 0 | 0.019 | 0.009 | 23.387 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 66 | HIS | 0 | 0.017 | -0.008 | 25.600 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 67 | GLN | 0 | -0.015 | -0.009 | 19.413 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 68 | ALA | 0 | -0.009 | -0.010 | 24.261 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 69 | ALA | 0 | -0.029 | -0.010 | 26.527 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 70 | THR | 0 | -0.003 | -0.009 | 25.685 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 71 | LEU | 0 | -0.063 | -0.014 | 25.082 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 72 | GLU | -1 | -0.865 | -0.929 | 28.969 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 73 | ASP | -1 | -0.788 | -0.876 | 30.239 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 74 | THR | 0 | 0.020 | 0.007 | 30.819 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 75 | LYS | 1 | 0.787 | 0.880 | 30.504 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 76 | ILE | 0 | 0.037 | 0.028 | 24.886 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 77 | VAL | 0 | 0.066 | 0.041 | 28.746 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 78 | LYS | 1 | 0.915 | 0.955 | 30.634 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 79 | ILE | 0 | -0.025 | -0.009 | 28.264 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 80 | LEU | 0 | 0.012 | 0.013 | 25.053 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 81 | LEU | 0 | 0.002 | 0.005 | 29.195 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 82 | PHE | 0 | -0.052 | -0.033 | 32.747 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 83 | SER | 0 | -0.088 | -0.052 | 28.892 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 84 | GLY | 0 | -0.020 | -0.004 | 30.552 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 85 | LEU | 0 | -0.053 | -0.022 | 25.978 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 86 | ASP | -1 | -0.812 | -0.882 | 30.446 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 87 | ASP | -1 | -0.816 | -0.912 | 31.429 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 88 | SER | 0 | -0.113 | -0.087 | 33.693 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 89 | GLN | 0 | 0.042 | 0.031 | 26.368 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 90 | PHE | 0 | -0.035 | -0.015 | 30.459 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 91 | ASP | -1 | -0.734 | -0.828 | 25.256 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 92 | ASP | -1 | -0.857 | -0.924 | 23.280 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 93 | LYS | 1 | 0.801 | 0.889 | 23.445 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 94 | GLY | 0 | -0.052 | -0.038 | 27.754 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 95 | ASN | 0 | 0.019 | 0.000 | 29.310 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 96 | THR | 0 | 0.055 | 0.024 | 30.112 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 97 | ALA | 0 | 0.015 | 0.005 | 29.936 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 98 | LEU | 0 | -0.017 | -0.004 | 30.891 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 99 | TYR | 0 | -0.002 | -0.002 | 31.303 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 100 | TYR | 0 | 0.010 | -0.030 | 27.024 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 101 | ALA | 0 | -0.029 | 0.004 | 30.837 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 102 | VAL | 0 | -0.039 | -0.028 | 33.066 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 103 | ASP | -1 | -0.888 | -0.925 | 30.285 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 104 | SER | 0 | -0.042 | -0.025 | 30.052 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 105 | GLY | 0 | 0.046 | 0.036 | 32.135 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 106 | ASN | 0 | -0.054 | -0.022 | 30.719 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 107 | MET | 0 | 0.056 | 0.032 | 35.145 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 108 | GLN | 0 | 0.012 | -0.008 | 37.389 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 109 | THR | 0 | -0.008 | -0.007 | 32.181 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 110 | VAL | 0 | 0.031 | 0.010 | 35.588 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 111 | LYS | 1 | 0.844 | 0.924 | 37.733 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 112 | LEU | 0 | -0.083 | -0.029 | 34.650 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 113 | PHE | 0 | 0.025 | 0.001 | 31.590 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 114 | VAL | 0 | 0.008 | 0.011 | 37.814 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 115 | LYS | 1 | 0.959 | 0.968 | 41.352 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 116 | LYS | 1 | 0.801 | 0.911 | 36.521 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 117 | ASN | 0 | -0.011 | -0.028 | 39.530 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 118 | TRP | 0 | 0.120 | 0.066 | 41.151 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 119 | ARG | 1 | 0.945 | 0.977 | 42.881 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 120 | LEU | 0 | -0.023 | 0.007 | 36.510 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 121 | MET | 0 | -0.019 | 0.008 | 38.561 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 122 | PHE | 0 | -0.020 | -0.017 | 40.783 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 123 | TYR | 0 | -0.024 | -0.011 | 37.174 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 124 | GLY | 0 | 0.063 | 0.016 | 35.097 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 125 | LYS | 1 | 0.913 | 0.964 | 32.387 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 126 | THR | 0 | -0.026 | -0.014 | 35.372 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 127 | GLY | 0 | 0.091 | 0.046 | 38.442 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 128 | TRP | 0 | -0.005 | -0.004 | 38.451 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 129 | LYS | 1 | 0.886 | 0.959 | 31.825 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 130 | THR | 0 | -0.061 | -0.013 | 35.683 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 131 | SER | 0 | 0.012 | -0.009 | 36.969 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 132 | PHE | 0 | 0.033 | 0.009 | 37.929 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 133 | TYR | 0 | 0.015 | 0.002 | 39.617 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 134 | HIS | 0 | -0.017 | -0.019 | 33.682 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 135 | ALA | 0 | 0.024 | 0.010 | 38.403 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 136 | VAL | 0 | -0.012 | -0.015 | 40.519 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 137 | MET | 0 | -0.055 | -0.019 | 36.992 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 138 | LEU | 0 | -0.005 | -0.015 | 35.753 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 139 | ASN | 0 | -0.016 | -0.005 | 39.928 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 140 | ASP | -1 | -0.776 | -0.852 | 40.237 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 141 | VAL | 0 | 0.056 | -0.001 | 42.673 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 142 | SER | 0 | -0.036 | -0.029 | 43.291 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 143 | ILE | 0 | -0.068 | -0.044 | 38.575 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 144 | VAL | 0 | -0.001 | -0.001 | 42.892 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 145 | SER | 0 | 0.034 | 0.013 | 45.333 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 146 | TYR | 0 | -0.115 | -0.089 | 42.148 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 147 | PHE | 0 | 0.007 | -0.005 | 39.391 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 148 | LEU | 0 | 0.011 | -0.005 | 45.617 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 149 | SER | 0 | -0.089 | -0.044 | 48.408 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 150 | GLU | -1 | -0.844 | -0.908 | 45.873 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 151 | ILE | 0 | -0.058 | -0.016 | 47.955 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 152 | PRO | 0 | -0.029 | -0.001 | 49.519 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 153 | SER | 0 | 0.043 | -0.001 | 52.508 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 154 | THR | 0 | -0.056 | -0.023 | 53.583 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 155 | PHE | 0 | -0.035 | -0.033 | 47.444 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 156 | ASP | -1 | -0.875 | -0.916 | 52.756 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 157 | LEU | 0 | 0.006 | 0.008 | 46.936 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 158 | ALA | 0 | 0.041 | 0.008 | 48.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 159 | ILE | 0 | -0.053 | -0.035 | 42.891 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 160 | LEU | 0 | 0.060 | 0.033 | 47.065 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 161 | LEU | 0 | 0.010 | 0.014 | 49.185 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 162 | SER | 0 | 0.012 | -0.006 | 44.756 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 163 | CYS | 0 | -0.043 | -0.014 | 46.035 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 164 | ILE | 0 | 0.058 | 0.035 | 47.096 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 165 | HIS | 0 | -0.040 | -0.009 | 46.531 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 166 | ILE | 0 | -0.040 | -0.027 | 42.970 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 167 | THR | 0 | 0.010 | -0.001 | 46.487 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 168 | ILE | 0 | -0.006 | -0.012 | 48.689 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 169 | LYS | 1 | 0.832 | 0.918 | 45.057 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 170 | ASN | 0 | -0.042 | -0.022 | 43.831 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 171 | GLY | 0 | 0.068 | 0.044 | 47.736 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 172 | HIS | 0 | -0.036 | -0.015 | 43.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 173 | VAL | 0 | 0.079 | 0.015 | 49.422 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 174 | ASP | -1 | -0.886 | -0.944 | 50.276 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 175 | MET | 0 | -0.027 | 0.009 | 44.978 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 176 | MET | 0 | -0.013 | -0.013 | 49.726 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 177 | ILE | 0 | 0.007 | 0.010 | 52.756 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 178 | LEU | 0 | 0.005 | 0.011 | 48.967 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 179 | LEU | 0 | -0.043 | -0.023 | 48.735 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 180 | LEU | 0 | 0.006 | 0.006 | 52.703 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 181 | ASP | -1 | -0.797 | -0.861 | 55.585 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 182 | TYR | 0 | -0.013 | 0.001 | 52.817 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 183 | MET | 0 | -0.029 | -0.005 | 54.983 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 184 | THR | 0 | 0.005 | -0.018 | 57.091 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 185 | SER | 0 | -0.080 | -0.049 | 57.499 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 186 | THR | 0 | -0.069 | -0.049 | 55.545 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 187 | ASN | 0 | 0.016 | 0.026 | 58.869 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 188 | THR | 0 | -0.014 | -0.017 | 60.864 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 189 | ASN | 0 | -0.041 | -0.028 | 61.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 190 | ASN | 0 | -0.047 | -0.009 | 64.929 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 191 | SER | 0 | -0.018 | 0.020 | 63.316 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 192 | LEU | 0 | 0.027 | 0.011 | 64.525 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 193 | LEU | 0 | 0.005 | 0.005 | 59.420 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 194 | PHE | 0 | -0.008 | -0.012 | 56.090 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 195 | ILE | 0 | 0.038 | 0.020 | 55.999 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 196 | PRO | 0 | 0.003 | 0.006 | 53.816 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 197 | ASP | -1 | -0.788 | -0.893 | 52.067 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 198 | ILE | 0 | 0.054 | 0.032 | 55.200 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 199 | LYS | 1 | 0.879 | 0.923 | 54.166 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 200 | LEU | 0 | 0.016 | 0.025 | 51.112 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 201 | ALA | 0 | 0.013 | 0.011 | 55.693 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 202 | ILE | 0 | -0.036 | -0.022 | 57.134 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 203 | ASP | -1 | -0.915 | -0.962 | 56.546 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 204 | ASN | 0 | -0.102 | -0.064 | 52.885 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 205 | LYS | 1 | 0.758 | 0.873 | 56.500 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 206 | ASP | -1 | -0.839 | -0.907 | 54.519 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 207 | ILE | 0 | 0.015 | -0.008 | 57.658 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 208 | GLU | -1 | -0.928 | -0.951 | 56.539 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 209 | MET | 0 | -0.006 | 0.009 | 52.203 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 210 | LEU | 0 | -0.047 | -0.025 | 57.009 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 211 | GLN | 0 | -0.005 | -0.016 | 60.389 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 212 | ALA | 0 | -0.026 | -0.005 | 57.748 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 213 | LEU | 0 | -0.011 | -0.021 | 56.692 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 214 | PHE | 0 | -0.007 | -0.024 | 60.013 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 215 | LYS | 1 | 0.889 | 0.961 | 62.120 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 216 | TYR | 0 | -0.050 | -0.035 | 58.828 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 217 | ASP | -1 | -0.829 | -0.901 | 63.383 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 218 | ILE | 0 | -0.016 | -0.004 | 60.600 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 219 | ASN | 0 | 0.000 | -0.004 | 62.540 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 220 | ILE | 0 | -0.007 | 0.000 | 63.654 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 221 | TYR | 0 | 0.027 | 0.001 | 65.662 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 222 | SER | 0 | -0.031 | -0.022 | 62.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 223 | ALA | 0 | -0.017 | -0.022 | 61.654 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 224 | ASN | 0 | -0.063 | -0.022 | 63.102 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 225 | LEU | 0 | 0.047 | 0.031 | 62.651 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 226 | GLU | -1 | -0.778 | -0.899 | 66.516 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 227 | ASN | 0 | -0.072 | -0.044 | 66.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 228 | VAL | 0 | 0.045 | 0.037 | 63.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 229 | LEU | 0 | -0.072 | -0.030 | 67.337 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 230 | LEU | 0 | -0.049 | -0.037 | 70.336 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 231 | ASP | -1 | -0.889 | -0.924 | 66.305 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 232 | ASP | -1 | -0.780 | -0.898 | 66.212 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 233 | ALA | 0 | -0.005 | -0.008 | 68.275 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 234 | GLU | -1 | -0.896 | -0.929 | 65.943 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 235 | ILE | 0 | 0.063 | 0.019 | 62.825 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 236 | ALA | 0 | -0.024 | -0.006 | 67.004 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 237 | LYS | 1 | 0.808 | 0.878 | 70.113 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 238 | MET | 0 | -0.017 | 0.003 | 63.931 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 239 | ILE | 0 | 0.008 | 0.008 | 65.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 240 | ILE | 0 | -0.046 | -0.028 | 69.056 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 241 | GLU | -1 | -0.832 | -0.911 | 71.395 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 242 | LYS | 1 | 0.843 | 0.913 | 67.153 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 243 | HIS | 0 | -0.013 | -0.014 | 70.721 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 244 | VAL | 0 | -0.048 | -0.025 | 72.691 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 245 | GLU | -1 | -0.849 | -0.911 | 70.719 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 246 | TYR | 0 | -0.004 | -0.026 | 66.235 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 247 | LYS | 1 | 0.827 | 0.896 | 73.334 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 248 | SER | 0 | -0.054 | -0.028 | 76.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 249 | ASP | -1 | -0.816 | -0.904 | 72.775 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 250 | SER | 0 | -0.085 | -0.044 | 75.775 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 251 | TYR | 0 | -0.066 | -0.038 | 67.293 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 252 | THR | 0 | 0.004 | -0.029 | 70.135 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 253 | LYS | 1 | 0.809 | 0.909 | 73.019 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 254 | ASP | -1 | -0.813 | -0.901 | 76.366 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 255 | LEU | 0 | 0.019 | 0.021 | 69.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 256 | ASP | -1 | -0.828 | -0.926 | 73.676 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 257 | ILE | 0 | -0.031 | -0.007 | 67.181 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 258 | VAL | 0 | 0.017 | 0.022 | 71.612 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 259 | LYS | 1 | 0.795 | 0.896 | 73.766 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 260 | ASN | 0 | -0.110 | -0.048 | 75.036 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 261 | ASN | 0 | -0.030 | -0.016 | 73.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 262 | LYS | 1 | 0.896 | 0.922 | 69.853 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 263 | LEU | 0 | 0.037 | 0.022 | 70.030 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 264 | ASP | -1 | -0.767 | -0.853 | 73.962 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 265 | GLU | -1 | -0.819 | -0.896 | 77.007 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 266 | ILE | 0 | 0.015 | 0.012 | 73.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 267 | ILE | 0 | 0.012 | 0.006 | 74.725 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 268 | SER | 0 | -0.067 | -0.029 | 78.178 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 269 | LYS | 1 | 0.872 | 0.939 | 78.877 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 270 | ASN | 0 | -0.028 | -0.006 | 77.072 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 271 | LYS | 1 | 0.924 | 0.965 | 80.024 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 272 | GLU | -1 | -0.827 | -0.936 | 77.037 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 273 | LEU | 0 | 0.043 | 0.023 | 74.239 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 274 | ARG | 1 | 0.880 | 0.927 | 77.479 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 275 | LEU | 0 | -0.051 | -0.013 | 79.894 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 276 | MET | 0 | -0.006 | -0.001 | 73.947 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 277 | TYR | 0 | 0.074 | 0.042 | 77.169 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 278 | VAL | 0 | -0.005 | -0.010 | 78.689 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 279 | ASN | 0 | -0.024 | -0.016 | 79.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 280 | CYS | 0 | -0.025 | 0.002 | 76.121 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 281 | VAL | 0 | 0.012 | 0.020 | 78.391 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 282 | LYS | 1 | 0.818 | 0.919 | 80.975 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |