FMODB ID: N29MQ
Calculation Name: 1A3Q-A-Xray372
Preferred Name: Nuclear factor NF-kappa-B p100/p49 subunits
Target Type: SINGLE PROTEIN
Ligand Name:
ligand 3-letter code:
PDB ID: 1A3Q
Chain ID: A
ChEMBL ID: CHEMBL3003
UniProt ID: Q00653
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 | 285 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3682108.715968 |
---|---|
FMO2-HF: Nuclear repulsion | 3568636.413153 |
FMO2-HF: Total energy | -113472.302815 |
FMO2-MP2: Total energy | -113801.07157 |
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:37:GLY)
Summations of interaction energy for
fragment #1(A:37: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. |
3.765 | 4.91 | -0.008 | -0.559 | -0.578 | 0.001 |
Interaction energy analysis for fragmet #1(A:37: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 | 39 | TYR | 0 | -0.013 | 0.007 | 3.900 | 1.064 | 2.167 | -0.006 | -0.526 | -0.572 | 0.001 |
4 | A | 40 | LEU | 0 | -0.001 | -0.008 | 6.712 | 0.422 | 0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 41 | VAL | 0 | -0.001 | 0.001 | 10.444 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 42 | ILE | 0 | -0.017 | -0.017 | 12.454 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 43 | VAL | 0 | -0.026 | -0.013 | 15.458 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 44 | GLU | -1 | -0.843 | -0.924 | 17.361 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 45 | GLN | 0 | 0.118 | 0.059 | 19.567 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 46 | PRO | 0 | 0.014 | 0.011 | 22.132 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 47 | LYS | 1 | 0.921 | 0.972 | 25.369 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 48 | GLN | 0 | 0.030 | 0.017 | 27.473 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 49 | ARG | 1 | 0.911 | 0.960 | 29.541 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 50 | GLY | 0 | 0.022 | 0.009 | 33.274 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 51 | PHE | 0 | 0.038 | 0.033 | 32.237 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 52 | ARG | 1 | 0.865 | 0.954 | 34.586 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 53 | PHE | 0 | 0.001 | 0.008 | 31.834 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 54 | ARG | 1 | 0.890 | 0.939 | 36.100 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 55 | TYR | 0 | -0.015 | 0.009 | 37.755 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 56 | GLY | 0 | 0.028 | -0.006 | 39.726 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 57 | CYS | 0 | -0.043 | -0.018 | 40.558 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 58 | GLU | -1 | -0.799 | -0.903 | 41.573 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 59 | GLY | 0 | 0.053 | 0.031 | 41.392 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 60 | PRO | 0 | -0.023 | -0.009 | 37.204 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 61 | SER | 0 | -0.011 | -0.009 | 36.585 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 62 | HIS | 0 | 0.012 | 0.000 | 37.564 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 63 | GLY | 0 | -0.020 | 0.000 | 35.584 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 64 | GLY | 0 | -0.034 | -0.010 | 31.259 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 65 | LEU | 0 | -0.027 | -0.023 | 26.753 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 66 | PRO | 0 | -0.013 | -0.014 | 28.303 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 67 | GLY | 0 | 0.004 | -0.010 | 25.839 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 68 | ALA | 0 | -0.038 | -0.027 | 25.024 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 69 | SER | 0 | 0.020 | 0.016 | 26.220 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 70 | SER | 0 | -0.063 | -0.026 | 28.740 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 71 | GLU | -1 | -0.901 | -0.939 | 31.337 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 72 | LYS | 1 | 0.977 | 0.967 | 34.654 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 73 | GLY | 0 | -0.034 | -0.022 | 36.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 74 | ARG | 1 | 0.952 | 0.981 | 31.605 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 75 | LYS | 1 | 0.905 | 0.975 | 30.638 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 76 | THR | 0 | 0.077 | 0.053 | 25.800 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 77 | TYR | 0 | 0.020 | 0.001 | 25.533 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 78 | PRO | 0 | 0.016 | 0.017 | 22.709 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 79 | THR | 0 | -0.038 | -0.028 | 18.374 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 80 | VAL | 0 | -0.034 | 0.003 | 15.185 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 81 | LYS | 1 | 0.937 | 0.968 | 11.884 | 0.812 | 0.812 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 82 | ILE | 0 | 0.006 | 0.005 | 8.450 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 83 | CYS | 0 | -0.036 | -0.020 | 7.723 | 0.455 | 0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 84 | ASN | 0 | 0.017 | -0.006 | 4.253 | -1.763 | -1.710 | -0.001 | -0.029 | -0.023 | 0.000 |
49 | A | 85 | TYR | 0 | -0.025 | -0.018 | 5.070 | -0.306 | -0.317 | -0.001 | -0.004 | 0.017 | 0.000 |
50 | A | 86 | GLU | -1 | -0.833 | -0.912 | 5.815 | 1.004 | 1.004 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 87 | GLY | 0 | 0.008 | 0.012 | 7.805 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 88 | PRO | 0 | 0.013 | 0.001 | 11.540 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 89 | ALA | 0 | 0.006 | 0.001 | 11.929 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 90 | LYS | 1 | 0.864 | 0.932 | 14.028 | 0.368 | 0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 91 | ILE | 0 | 0.016 | 0.016 | 14.516 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 92 | GLU | -1 | -0.910 | -0.971 | 16.705 | -0.261 | -0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 93 | VAL | 0 | -0.016 | -0.004 | 18.538 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 94 | ASP | -1 | -0.776 | -0.887 | 21.073 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 95 | LEU | 0 | -0.010 | 0.001 | 23.158 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 96 | VAL | 0 | -0.011 | 0.002 | 21.814 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 97 | THR | 0 | -0.011 | -0.023 | 25.013 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 98 | HIS | 0 | 0.042 | 0.021 | 25.788 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 99 | SER | 0 | 0.015 | 0.005 | 27.046 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 100 | ASP | -1 | -0.900 | -0.954 | 22.728 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 101 | PRO | 0 | 0.064 | 0.029 | 22.466 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 102 | PRO | 0 | -0.041 | 0.006 | 19.637 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 103 | ARG | 1 | 0.995 | 1.007 | 22.650 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 104 | ALA | 0 | -0.028 | -0.036 | 25.286 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 105 | HIS | 0 | 0.070 | 0.032 | 26.487 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 106 | ALA | 0 | 0.017 | -0.010 | 29.390 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 107 | HIS | 0 | -0.025 | -0.011 | 31.410 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 108 | SER | 0 | 0.011 | 0.004 | 29.843 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 109 | LEU | 0 | 0.000 | 0.021 | 24.632 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 110 | VAL | 0 | 0.024 | 0.008 | 29.269 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 111 | GLY | 0 | 0.064 | 0.027 | 30.779 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 112 | LYS | 1 | 0.983 | 0.980 | 27.659 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 113 | GLN | 0 | -0.014 | -0.016 | 24.605 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 114 | CYS | 0 | -0.049 | 0.002 | 26.376 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 115 | SER | 0 | 0.047 | 0.021 | 27.072 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 116 | GLU | -1 | -0.874 | -0.953 | 29.280 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 117 | LEU | 0 | -0.038 | -0.025 | 28.306 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 118 | GLY | 0 | -0.068 | -0.034 | 28.692 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 119 | ILE | 0 | -0.027 | 0.009 | 22.711 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 120 | CYS | 0 | -0.029 | -0.003 | 23.391 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 121 | ALA | 0 | 0.024 | 0.019 | 21.187 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 122 | VAL | 0 | -0.005 | 0.001 | 19.142 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 123 | SER | 0 | -0.020 | -0.010 | 18.293 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 124 | VAL | 0 | -0.024 | 0.009 | 14.242 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 125 | GLY | 0 | 0.038 | 0.001 | 15.929 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 126 | PRO | 0 | 0.018 | 0.001 | 15.314 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 127 | LYS | 1 | 0.964 | 0.992 | 14.811 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 128 | ASP | -1 | -0.840 | -0.920 | 15.219 | -0.422 | -0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 129 | MET | 0 | -0.027 | 0.006 | 10.926 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 130 | THR | 0 | -0.031 | -0.029 | 14.070 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 131 | ALA | 0 | 0.033 | 0.016 | 16.706 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 132 | GLN | 0 | 0.040 | 0.023 | 18.963 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 133 | PHE | 0 | -0.006 | -0.021 | 18.696 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 134 | ASN | 0 | 0.004 | -0.014 | 23.921 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 135 | ASN | 0 | -0.059 | -0.035 | 27.365 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 136 | LEU | 0 | 0.083 | 0.052 | 23.983 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 137 | GLY | 0 | 0.053 | 0.034 | 28.737 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 138 | VAL | 0 | -0.004 | -0.003 | 30.103 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 139 | LEU | 0 | 0.016 | 0.016 | 32.341 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 140 | HIS | 1 | 0.862 | 0.908 | 34.687 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 141 | VAL | 0 | 0.008 | 0.010 | 35.488 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 142 | THR | 0 | 0.063 | 0.021 | 38.140 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 143 | LYS | 1 | 1.006 | 0.975 | 40.711 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 144 | LYS | 1 | 0.912 | 0.953 | 42.372 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 145 | ASN | 0 | 0.073 | 0.054 | 39.678 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 146 | MET | 0 | -0.039 | -0.014 | 36.815 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 147 | MET | 0 | 0.062 | 0.042 | 37.324 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 148 | GLY | 0 | 0.080 | 0.062 | 38.201 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 149 | THR | 0 | -0.020 | -0.031 | 34.233 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 150 | MET | 0 | -0.017 | -0.003 | 30.544 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 151 | ILE | 0 | 0.047 | 0.009 | 33.800 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 152 | GLN | 0 | 0.009 | 0.015 | 34.438 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 153 | LYS | 1 | 0.824 | 0.905 | 29.340 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 154 | LEU | 0 | -0.017 | -0.011 | 29.754 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 155 | GLN | 0 | -0.014 | 0.001 | 31.164 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 156 | ARG | 1 | 0.949 | 0.953 | 28.061 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 157 | GLN | 0 | -0.043 | -0.019 | 26.170 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 158 | ARG | 1 | 0.955 | 0.980 | 27.196 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 159 | LEU | 0 | -0.040 | 0.037 | 28.916 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 160 | ARG | 1 | 0.857 | 0.924 | 23.645 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 161 | SER | 0 | -0.024 | -0.030 | 21.792 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 162 | ARG | 1 | 0.951 | 0.985 | 24.464 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 163 | PRO | 0 | 0.054 | -0.001 | 27.837 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 164 | GLN | 0 | 0.027 | -0.005 | 31.210 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 165 | GLY | 0 | 0.010 | 0.035 | 33.536 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 166 | LEU | 0 | -0.044 | -0.011 | 34.196 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 167 | THR | 0 | 0.022 | 0.024 | 37.626 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 168 | GLU | -1 | -0.852 | -0.952 | 40.391 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 169 | ALA | 0 | 0.020 | 0.011 | 41.172 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 170 | GLU | -1 | -0.846 | -0.921 | 35.634 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 171 | GLN | 0 | -0.024 | -0.009 | 37.427 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 172 | ARG | 1 | 0.920 | 0.952 | 39.529 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 173 | GLU | -1 | -0.920 | -0.962 | 35.924 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 174 | LEU | 0 | -0.012 | 0.004 | 33.058 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 175 | GLU | -1 | -0.902 | -0.971 | 36.415 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 176 | GLN | 0 | 0.023 | 0.013 | 38.467 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 177 | GLU | -1 | -0.915 | -0.952 | 31.593 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 178 | ALA | 0 | 0.024 | 0.013 | 35.630 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 179 | LYS | 1 | 0.868 | 0.921 | 36.821 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 180 | GLU | -1 | -0.960 | -0.999 | 37.249 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 181 | LEU | 0 | 0.031 | 0.040 | 30.999 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 182 | LYS | 1 | 0.865 | 0.917 | 35.000 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 183 | LYS | 1 | 0.851 | 0.911 | 37.458 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 184 | VAL | 0 | 0.060 | 0.062 | 33.678 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 185 | MET | 0 | -0.024 | 0.002 | 30.756 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 186 | ASP | -1 | -0.793 | -0.883 | 33.138 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 187 | LEU | 0 | -0.077 | -0.048 | 33.508 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 188 | SER | 0 | -0.075 | -0.049 | 35.605 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 189 | ILE | 0 | 0.015 | 0.017 | 29.630 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 190 | VAL | 0 | -0.030 | 0.001 | 27.940 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 191 | ARG | 1 | 0.894 | 0.938 | 22.767 | 0.315 | 0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 192 | LEU | 0 | 0.017 | 0.018 | 22.063 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 193 | ARG | 1 | 0.830 | 0.905 | 18.122 | 0.325 | 0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 194 | PHE | 0 | 0.000 | 0.003 | 16.067 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 195 | SER | 0 | 0.005 | -0.011 | 14.539 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 196 | ALA | 0 | -0.003 | 0.001 | 11.193 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 197 | PHE | 0 | -0.015 | -0.013 | 11.870 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 198 | LEU | 0 | 0.049 | 0.030 | 6.484 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 199 | ARG | 1 | 0.914 | 0.948 | 11.147 | 0.340 | 0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 206 | SER | 0 | -0.015 | -0.014 | 14.723 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 207 | LEU | 0 | 0.046 | 0.019 | 9.638 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 208 | PRO | 0 | -0.034 | -0.011 | 10.986 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 209 | LEU | 0 | 0.034 | 0.038 | 6.126 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 210 | LYS | 1 | 0.950 | 0.963 | 8.191 | 1.031 | 1.031 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 211 | PRO | 0 | -0.039 | -0.007 | 10.219 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 212 | VAL | 0 | 0.011 | 0.008 | 12.309 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 213 | ILE | 0 | -0.018 | -0.024 | 14.933 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 214 | SER | 0 | -0.023 | -0.009 | 18.681 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 215 | GLN | 0 | -0.033 | -0.013 | 20.898 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 216 | PRO | 0 | -0.016 | -0.027 | 23.811 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 217 | ILE | 0 | 0.004 | 0.013 | 26.100 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 218 | HIS | 0 | -0.049 | -0.034 | 29.411 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 219 | ASP | -1 | -0.793 | -0.907 | 33.107 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 220 | SER | 0 | -0.043 | -0.051 | 35.777 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 221 | LYS | 1 | 0.930 | 0.956 | 38.155 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 222 | SER | 0 | -0.033 | 0.002 | 38.658 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 223 | PRO | 0 | -0.025 | -0.047 | 40.622 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 224 | GLY | 0 | 0.037 | 0.034 | 41.199 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 225 | ALA | 0 | 0.014 | -0.008 | 36.601 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 226 | SER | 0 | -0.009 | 0.023 | 36.550 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 227 | ASN | 0 | 0.041 | 0.015 | 36.029 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 228 | LEU | 0 | 0.005 | 0.031 | 38.280 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 229 | LYS | 1 | 0.948 | 0.959 | 40.587 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 230 | ILE | 0 | 0.033 | 0.022 | 42.992 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 231 | SER | 0 | -0.094 | -0.036 | 46.178 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 232 | ARG | 1 | 0.936 | 0.942 | 48.314 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 233 | MET | 0 | -0.032 | -0.011 | 49.882 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 234 | ASP | -1 | -0.862 | -0.931 | 53.334 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 235 | LYS | 1 | 0.897 | 0.973 | 56.095 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 236 | THR | 0 | -0.030 | -0.022 | 52.710 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 237 | ALA | 0 | 0.027 | 0.005 | 54.584 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 238 | GLY | 0 | 0.019 | 0.019 | 56.985 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 239 | SER | 0 | 0.008 | 0.016 | 58.590 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 240 | VAL | 0 | -0.010 | -0.015 | 57.032 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 241 | ARG | 1 | 0.940 | 0.948 | 58.240 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 242 | GLY | 0 | -0.006 | 0.009 | 57.600 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 243 | GLY | 0 | 0.009 | 0.010 | 57.845 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 244 | ASP | -1 | -0.906 | -0.949 | 58.549 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 245 | GLU | -1 | -0.943 | -0.988 | 57.809 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 246 | VAL | 0 | -0.021 | -0.007 | 53.637 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 247 | TYR | 0 | 0.048 | 0.036 | 55.725 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 248 | LEU | 0 | -0.008 | -0.009 | 48.059 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 249 | LEU | 0 | -0.002 | -0.004 | 51.538 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 250 | CYS | 0 | 0.003 | -0.007 | 46.426 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 251 | ASP | -1 | -0.885 | -0.934 | 43.509 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 252 | LYS | 1 | 0.870 | 0.929 | 45.016 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 253 | VAL | 0 | 0.013 | 0.019 | 44.034 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 254 | GLN | 0 | -0.043 | -0.053 | 43.068 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 255 | LYS | 1 | 0.976 | 0.982 | 46.203 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 256 | ASP | -1 | -0.867 | -0.929 | 47.543 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 257 | ASP | -1 | -0.899 | -0.984 | 41.150 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 258 | ILE | 0 | -0.049 | -0.001 | 42.840 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 259 | GLU | -1 | -0.878 | -0.945 | 43.598 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 260 | VAL | 0 | -0.001 | -0.012 | 45.363 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 261 | ARG | 1 | 0.880 | 0.944 | 40.663 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 262 | PHE | 0 | 0.028 | -0.002 | 45.027 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 263 | TYR | 0 | -0.046 | -0.043 | 41.059 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 264 | GLU | -1 | -0.799 | -0.922 | 44.762 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 265 | ASP | -1 | -0.960 | -0.990 | 38.541 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 266 | ASP | -1 | -0.908 | -0.919 | 41.620 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 267 | GLU | -1 | -0.969 | -0.986 | 40.492 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 268 | ASN | 0 | -0.071 | -0.055 | 42.086 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 269 | GLY | 0 | 0.070 | 0.051 | 42.198 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 270 | TRP | 0 | -0.011 | -0.005 | 43.150 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 271 | GLN | 0 | 0.028 | -0.017 | 42.495 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 272 | ALA | 0 | -0.035 | -0.006 | 45.918 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 273 | PHE | 0 | 0.014 | -0.013 | 43.799 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 274 | GLY | 0 | -0.025 | 0.000 | 49.177 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 275 | ASP | -1 | -0.929 | -0.956 | 51.460 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 276 | PHE | 0 | 0.023 | -0.004 | 48.638 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 277 | SER | 0 | 0.015 | 0.017 | 53.649 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 278 | PRO | 0 | 0.029 | -0.020 | 52.483 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 279 | THR | 0 | -0.049 | -0.032 | 53.844 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 280 | ASP | -1 | -0.806 | -0.875 | 55.214 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 281 | VAL | 0 | -0.088 | -0.025 | 50.053 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 282 | HIS | 0 | 0.054 | 0.017 | 53.275 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 283 | LYS | 1 | 0.913 | 0.934 | 53.749 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 284 | GLN | 0 | -0.047 | -0.026 | 48.333 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 285 | TYR | 0 | -0.001 | 0.001 | 47.862 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 286 | ALA | 0 | 0.041 | 0.023 | 50.804 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 287 | ILE | 0 | -0.022 | -0.001 | 48.190 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 288 | VAL | 0 | 0.006 | 0.024 | 52.783 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 289 | PHE | 0 | -0.002 | -0.006 | 51.720 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 290 | ARG | 1 | 0.967 | 0.997 | 55.180 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 291 | THR | 0 | 0.007 | -0.010 | 53.994 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 292 | PRO | 0 | 0.064 | 0.047 | 50.962 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 293 | PRO | 0 | 0.010 | 0.013 | 54.258 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 294 | TYR | 0 | -0.022 | -0.015 | 50.978 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 295 | HIS | 1 | 0.827 | 0.926 | 50.285 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 296 | LYS | 1 | 0.956 | 0.983 | 53.724 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 297 | MET | 0 | 0.026 | 0.005 | 56.490 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 298 | LYS | 1 | 0.937 | 0.980 | 59.930 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 299 | ILE | 0 | -0.041 | -0.009 | 56.349 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 300 | GLU | -1 | -0.879 | -0.946 | 59.607 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 301 | ARG | 1 | 0.925 | 0.958 | 57.804 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 302 | PRO | 0 | -0.026 | -0.014 | 57.265 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 303 | VAL | 0 | 0.035 | 0.023 | 51.572 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 304 | THR | 0 | -0.057 | -0.027 | 49.065 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 305 | VAL | 0 | 0.007 | 0.017 | 48.045 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 306 | PHE | 0 | -0.014 | -0.015 | 44.518 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 307 | LEU | 0 | -0.005 | 0.010 | 46.243 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 308 | GLN | 0 | 0.007 | 0.000 | 39.623 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 309 | LEU | 0 | 0.028 | 0.013 | 43.072 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 310 | LYS | 1 | 0.960 | 0.982 | 37.548 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 311 | ARG | 1 | 0.776 | 0.859 | 37.140 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 312 | LYS | 1 | 0.934 | 0.985 | 39.248 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 313 | ARG | 1 | 0.916 | 0.970 | 36.425 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 314 | GLY | 0 | -0.088 | -0.059 | 35.059 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 315 | GLY | 0 | 0.017 | 0.017 | 34.367 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 316 | ASP | -1 | -0.823 | -0.874 | 34.083 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 317 | VAL | 0 | 0.034 | -0.007 | 35.597 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 318 | SER | 0 | -0.027 | -0.003 | 37.538 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 319 | ASP | -1 | -0.915 | -0.955 | 38.344 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 320 | SER | 0 | -0.053 | -0.028 | 40.466 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 321 | LYS | 1 | 0.931 | 0.982 | 42.865 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 322 | GLN | 0 | 0.043 | 0.016 | 46.465 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 323 | PHE | 0 | -0.018 | -0.009 | 48.571 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 324 | THR | 0 | -0.002 | 0.012 | 51.569 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 325 | TYR | 0 | -0.014 | -0.013 | 51.869 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 326 | TYR | 0 | 0.026 | -0.001 | 56.209 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 327 | PRO | 0 | 0.011 | 0.014 | 59.769 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |