![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 85YRY
Calculation Name: 3G1W-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3G1W
Chain ID: A
UniProt ID: Q9K7B8
Base Structure: X-ray
Registration Date: 2023-09-20
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | 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 | 291 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3950563.313535 |
---|---|
FMO2-HF: Nuclear repulsion | 3838879.302808 |
FMO2-HF: Total energy | -111684.010726 |
FMO2-MP2: Total energy | -112011.496534 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F030041/ligand_interaction/ligand_F030041.png)
Ligand Interaction
![ligand interaction](./Kdata/F030041/ligand_interaction/ligand_interaction_F030041.png)
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:43:GLU)
Summations of interaction energy for
fragment #1(A:43:GLU)
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. |
123.569 | 113.288 | 57.398 | -23.558 | -23.563 | 0.224 |
Interaction energy analysis for fragmet #1(A:43:GLU)
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 | 45 | TYR | 0 | 0.006 | -0.005 | 1.588 | -24.544 | -32.514 | 23.723 | -9.439 | -6.315 | 0.062 |
4 | A | 46 | MET | 0 | -0.030 | -0.019 | 5.931 | -2.974 | -2.974 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 47 | MET | 0 | -0.022 | 0.021 | 9.743 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 48 | ILE | 0 | -0.033 | -0.025 | 12.881 | -0.771 | -0.771 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 49 | THR | 0 | 0.060 | 0.004 | 16.157 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 50 | PHE | 0 | 0.038 | 0.022 | 19.732 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 51 | GLN | 0 | 0.043 | 0.016 | 23.414 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 52 | SER | 0 | -0.033 | -0.007 | 20.645 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 53 | GLY | 0 | -0.009 | -0.002 | 21.797 | 0.498 | 0.498 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 54 | MET | 0 | -0.020 | 0.004 | 24.298 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 55 | ASP | -1 | -0.826 | -0.921 | 24.220 | 10.961 | 10.961 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 56 | TYR | 0 | -0.033 | -0.037 | 23.475 | 0.488 | 0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 57 | TRP | 0 | 0.024 | 0.005 | 19.929 | 0.838 | 0.838 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 58 | LYS | 1 | 0.870 | 0.937 | 17.519 | -14.521 | -14.521 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 59 | ARG | 1 | 0.869 | 0.921 | 19.393 | -11.268 | -11.268 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 60 | CYS | 0 | 0.015 | 0.019 | 17.926 | 0.372 | 0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 61 | LEU | 0 | -0.004 | -0.012 | 13.576 | 1.092 | 1.092 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 62 | LYS | 1 | 0.819 | 0.914 | 14.516 | -16.024 | -16.024 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 63 | GLY | 0 | 0.068 | 0.039 | 15.362 | 0.653 | 0.653 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 64 | PHE | 0 | -0.019 | -0.016 | 9.137 | 1.602 | 1.602 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 65 | GLU | -1 | -0.892 | -0.965 | 10.524 | 19.589 | 19.589 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 66 | ASP | -1 | -0.799 | -0.880 | 11.645 | 18.935 | 18.935 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 67 | ALA | 0 | 0.015 | 0.009 | 10.086 | 0.548 | 0.548 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 68 | ALA | 0 | -0.004 | -0.003 | 7.393 | 2.854 | 2.854 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 69 | GLN | 0 | -0.045 | -0.023 | 8.128 | 1.682 | 1.682 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 70 | ALA | 0 | -0.047 | -0.024 | 10.728 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 71 | LEU | 0 | -0.032 | -0.009 | 5.965 | -0.749 | -0.749 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 72 | ASN | 0 | -0.111 | -0.049 | 6.072 | 2.922 | 2.922 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 73 | VAL | 0 | -0.030 | 0.003 | 2.530 | 2.448 | 4.050 | 1.892 | -0.997 | -2.498 | 0.011 |
32 | A | 74 | THR | 0 | -0.022 | -0.010 | 3.296 | -7.582 | -6.732 | 0.003 | -0.277 | -0.576 | 0.001 |
33 | A | 75 | VAL | 0 | 0.010 | -0.004 | 5.277 | 2.896 | 2.896 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 76 | GLU | -1 | -0.839 | -0.905 | 8.000 | 20.202 | 20.202 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 77 | TYR | 0 | -0.001 | 0.005 | 10.657 | 0.415 | 0.415 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 78 | ARG | 1 | 0.794 | 0.875 | 12.104 | -18.557 | -18.557 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 79 | GLY | 0 | 0.086 | 0.040 | 16.538 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 80 | ALA | 0 | -0.035 | 0.008 | 19.620 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 81 | ALA | 0 | -0.003 | -0.013 | 23.231 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 82 | GLN | 0 | -0.064 | -0.034 | 25.400 | -0.529 | -0.529 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 83 | TYR | 0 | -0.021 | -0.024 | 26.827 | 0.488 | 0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 84 | ASP | -1 | -0.829 | -0.922 | 27.765 | 9.952 | 9.952 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 85 | ILE | 0 | 0.060 | 0.035 | 26.605 | 0.462 | 0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 86 | GLN | 0 | 0.009 | 0.011 | 25.713 | 0.697 | 0.697 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 87 | GLU | -1 | -0.821 | -0.902 | 23.875 | 11.842 | 11.842 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 88 | GLN | 0 | 0.018 | -0.006 | 21.037 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 89 | ILE | 0 | 0.017 | 0.016 | 20.934 | 0.771 | 0.771 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 90 | THR | 0 | -0.060 | -0.040 | 20.876 | 0.489 | 0.489 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 91 | VAL | 0 | -0.029 | -0.019 | 17.366 | 0.541 | 0.541 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 92 | LEU | 0 | 0.024 | 0.021 | 15.629 | 1.017 | 1.017 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 93 | GLU | -1 | -0.778 | -0.878 | 16.276 | 15.034 | 15.034 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 94 | GLN | 0 | -0.084 | -0.043 | 16.098 | 0.792 | 0.792 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 95 | ALA | 0 | -0.019 | -0.015 | 12.585 | 0.810 | 0.810 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 96 | ILE | 0 | 0.031 | 0.008 | 11.724 | 1.648 | 1.648 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 97 | ALA | 0 | -0.055 | -0.022 | 12.886 | 0.868 | 0.868 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 98 | LYS | 1 | 0.761 | 0.872 | 8.779 | -22.165 | -22.165 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 99 | ASN | 0 | -0.060 | -0.029 | 8.112 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 100 | PRO | 0 | -0.018 | 0.005 | 5.800 | 2.692 | 2.692 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 101 | ALA | 0 | 0.009 | 0.001 | 2.220 | -0.603 | -0.499 | 1.658 | -0.622 | -1.140 | -0.002 |
60 | A | 102 | GLY | 0 | 0.044 | 0.013 | 4.302 | 0.585 | 0.750 | -0.001 | -0.040 | -0.125 | 0.000 |
61 | A | 103 | ILE | 0 | -0.049 | -0.020 | 7.647 | -0.507 | -0.507 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 104 | ALA | 0 | 0.043 | 0.026 | 10.910 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 105 | ILE | 0 | -0.031 | -0.031 | 13.174 | -0.338 | -0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 106 | SER | 0 | -0.014 | 0.007 | 16.710 | -0.330 | -0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 107 | ALA | 0 | -0.010 | -0.015 | 20.156 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 108 | ILE | 0 | -0.043 | -0.028 | 22.441 | -0.347 | -0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 109 | ASP | -1 | -0.829 | -0.911 | 25.522 | 9.910 | 9.910 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 110 | PRO | 0 | -0.046 | -0.016 | 26.071 | 0.449 | 0.449 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 111 | VAL | 0 | -0.009 | -0.014 | 27.475 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 112 | GLU | -1 | -0.931 | -0.971 | 27.605 | 10.110 | 10.110 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 113 | LEU | 0 | -0.023 | -0.019 | 21.123 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 114 | THR | 0 | 0.002 | -0.002 | 22.782 | 0.774 | 0.774 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 115 | ASP | -1 | -0.901 | -0.941 | 22.822 | 11.996 | 11.996 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 116 | THR | 0 | -0.040 | -0.026 | 19.450 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 117 | ILE | 0 | -0.003 | -0.005 | 18.243 | 0.926 | 0.926 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 118 | ASN | 0 | 0.037 | 0.015 | 18.088 | 1.264 | 1.264 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 119 | LYS | 1 | 0.832 | 0.902 | 19.058 | -13.391 | -13.391 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 120 | ALA | 0 | -0.010 | -0.008 | 14.107 | 0.513 | 0.513 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 121 | VAL | 0 | -0.012 | 0.003 | 14.613 | 1.275 | 1.275 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 122 | ASP | -1 | -0.922 | -0.963 | 16.368 | 15.154 | 15.154 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 123 | ALA | 0 | -0.108 | -0.050 | 14.919 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 124 | GLY | 0 | -0.018 | -0.007 | 13.634 | 0.949 | 0.949 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 125 | ILE | 0 | -0.060 | -0.021 | 9.284 | 2.407 | 2.407 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 126 | PRO | 0 | -0.017 | -0.010 | 7.754 | -1.864 | -1.864 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 127 | ILE | 0 | 0.003 | -0.011 | 10.467 | 0.702 | 0.702 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 128 | VAL | 0 | -0.036 | -0.008 | 12.760 | -0.712 | -0.712 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 129 | LEU | 0 | 0.034 | 0.020 | 15.139 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 130 | PHE | 0 | -0.002 | -0.024 | 15.976 | 0.384 | 0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 131 | ASP | -1 | -0.745 | -0.833 | 18.751 | 12.311 | 12.311 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 132 | SER | 0 | -0.051 | -0.036 | 22.078 | -0.807 | -0.807 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 133 | GLY | 0 | 0.014 | -0.009 | 22.032 | 0.689 | 0.689 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 134 | ALA | 0 | 0.038 | 0.022 | 22.953 | -0.567 | -0.567 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 135 | PRO | 0 | -0.036 | -0.012 | 24.127 | 0.471 | 0.471 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 136 | ASP | -1 | -0.941 | -0.961 | 26.015 | 10.887 | 10.887 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 137 | SER | 0 | -0.056 | -0.033 | 21.986 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 138 | HIS | 0 | -0.014 | -0.021 | 20.329 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 139 | ALA | 0 | -0.014 | 0.002 | 17.543 | 0.883 | 0.883 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 140 | HIS | 0 | 0.030 | 0.011 | 13.808 | 0.496 | 0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 141 | SER | 0 | -0.026 | -0.033 | 15.917 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 142 | PHE | 0 | -0.013 | 0.005 | 17.629 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 143 | LEU | 0 | -0.008 | -0.011 | 15.420 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 144 | GLY | 0 | 0.062 | 0.009 | 19.278 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 145 | THR | 0 | 0.002 | -0.009 | 22.488 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 146 | ASN | 0 | 0.022 | 0.032 | 26.079 | -0.290 | -0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 147 | ASN | 0 | 0.026 | 0.002 | 27.438 | -0.493 | -0.493 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 148 | TYR | 0 | -0.001 | 0.005 | 30.879 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 149 | ASN | 0 | 0.003 | -0.019 | 31.005 | -0.470 | -0.470 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 150 | ALA | 0 | 0.012 | 0.007 | 31.147 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 151 | GLY | 0 | 0.041 | 0.025 | 33.236 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 152 | MET | 0 | 0.016 | 0.016 | 35.305 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 153 | ASN | 0 | -0.078 | -0.049 | 33.797 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 154 | ALA | 0 | 0.026 | 0.018 | 37.000 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 155 | ALA | 0 | -0.002 | 0.014 | 38.667 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 156 | TYR | 0 | -0.090 | -0.086 | 39.143 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 157 | LYS | 1 | 0.791 | 0.883 | 39.682 | -7.759 | -7.759 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 158 | MET | 0 | 0.001 | 0.000 | 41.747 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 159 | ALA | 0 | 0.020 | 0.007 | 44.252 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 160 | GLU | -1 | -0.888 | -0.924 | 42.831 | 7.278 | 7.278 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 161 | LEU | 0 | -0.045 | -0.029 | 42.857 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 162 | LEU | 0 | -0.022 | -0.009 | 46.942 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 163 | ASP | -1 | -0.968 | -0.974 | 50.119 | 6.013 | 6.013 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 164 | GLY | 0 | -0.046 | -0.016 | 49.824 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 165 | GLU | -1 | -1.016 | -1.022 | 50.849 | 5.609 | 5.609 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 166 | GLY | 0 | 0.040 | 0.013 | 52.344 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 167 | GLU | -1 | -0.873 | -0.924 | 52.087 | 5.767 | 5.767 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 168 | VAL | 0 | 0.000 | -0.007 | 47.037 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 169 | ALA | 0 | 0.003 | -0.001 | 46.974 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 170 | VAL | 0 | -0.028 | -0.009 | 40.819 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 171 | ILE | 0 | 0.000 | 0.009 | 40.568 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 172 | THR | 0 | 0.039 | -0.012 | 37.314 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 173 | LEU | 0 | -0.008 | -0.005 | 33.848 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 174 | PRO | 0 | 0.006 | -0.011 | 36.741 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 175 | ASN | 0 | -0.047 | -0.017 | 37.494 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 176 | GLN | 0 | 0.041 | 0.038 | 30.755 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 177 | LEU | 0 | 0.074 | 0.046 | 30.196 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 178 | ASN | 0 | 0.022 | -0.001 | 27.619 | -0.440 | -0.440 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 179 | HIS | 0 | 0.095 | 0.045 | 30.940 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 180 | GLN | 0 | -0.003 | 0.001 | 34.224 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 181 | GLU | -1 | -0.887 | -0.943 | 32.114 | 9.123 | 9.123 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 182 | ARG | 1 | 0.772 | 0.887 | 28.697 | -10.365 | -10.365 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 183 | THR | 0 | 0.027 | -0.002 | 35.363 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 184 | THR | 0 | -0.065 | -0.034 | 38.128 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 185 | GLY | 0 | 0.044 | 0.026 | 37.463 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 186 | PHE | 0 | -0.027 | -0.002 | 38.489 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 187 | LYS | 1 | 0.868 | 0.889 | 40.609 | -7.154 | -7.154 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 188 | GLU | -1 | -0.869 | -0.913 | 40.986 | 7.626 | 7.626 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 189 | THR | 0 | -0.016 | -0.018 | 40.363 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 190 | LEU | 0 | -0.008 | -0.002 | 42.962 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 191 | GLU | -1 | -0.862 | -0.911 | 46.044 | 6.729 | 6.729 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 192 | ALA | 0 | -0.086 | -0.024 | 45.500 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 193 | GLU | -1 | -0.904 | -0.925 | 43.825 | 7.100 | 7.100 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 194 | PHE | 0 | -0.042 | -0.030 | 44.576 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 195 | PRO | 0 | -0.001 | -0.010 | 49.540 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 196 | ALA | 0 | -0.034 | -0.001 | 52.516 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 197 | ILE | 0 | -0.020 | 0.017 | 48.103 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 198 | GLU | -1 | -0.949 | -0.969 | 50.831 | 5.905 | 5.905 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 199 | VAL | 0 | -0.033 | -0.022 | 45.673 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 200 | ILE | 0 | -0.018 | 0.005 | 48.843 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 201 | ALA | 0 | 0.001 | 0.001 | 49.072 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 202 | VAL | 0 | -0.018 | -0.018 | 42.933 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 203 | GLU | -1 | -0.902 | -0.951 | 44.287 | 6.561 | 6.561 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 204 | ASP | -1 | -0.837 | -0.896 | 41.180 | 7.769 | 7.769 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 205 | GLY | 0 | 0.082 | 0.030 | 40.676 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 206 | ARG | 1 | 0.723 | 0.825 | 39.433 | -7.204 | -7.204 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 207 | GLY | 0 | 0.033 | 0.038 | 35.814 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 208 | ASP | -1 | -0.862 | -0.923 | 36.240 | 7.605 | 7.605 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 209 | SER | 0 | 0.021 | -0.003 | 38.833 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 210 | LEU | 0 | -0.080 | -0.049 | 40.639 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 211 | HIS | 0 | -0.111 | -0.074 | 42.575 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 212 | SER | 0 | 0.045 | 0.016 | 40.962 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 213 | ARG | 1 | 0.846 | 0.936 | 43.543 | -6.807 | -6.807 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 214 | ARG | 1 | 0.890 | 0.945 | 46.006 | -6.638 | -6.638 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 215 | VAL | 0 | 0.002 | 0.007 | 45.427 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 216 | ALA | 0 | 0.031 | 0.014 | 46.006 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 217 | HIS | 0 | -0.076 | -0.039 | 47.955 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 218 | GLN | 0 | -0.079 | -0.048 | 51.094 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 219 | LEU | 0 | -0.003 | -0.013 | 47.717 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 220 | LEU | 0 | -0.007 | 0.003 | 49.786 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 221 | GLU | -1 | -0.940 | -0.956 | 53.316 | 5.516 | 5.516 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 222 | ASP | -1 | -0.924 | -0.956 | 54.622 | 5.608 | 5.608 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 223 | TYR | 0 | -0.052 | -0.025 | 52.149 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 224 | PRO | 0 | -0.020 | -0.015 | 55.315 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 225 | ASN | 0 | -0.100 | -0.067 | 56.855 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 226 | LEU | 0 | -0.034 | -0.001 | 49.275 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 227 | ALA | 0 | 0.031 | 0.025 | 51.607 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 228 | GLY | 0 | 0.031 | 0.004 | 47.511 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 229 | ILE | 0 | -0.033 | -0.017 | 43.760 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 230 | PHE | 0 | 0.004 | 0.000 | 36.547 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 231 | ALA | 0 | 0.009 | 0.005 | 38.698 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 232 | THR | 0 | -0.049 | -0.012 | 35.101 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 233 | GLU | -1 | -0.792 | -0.892 | 32.833 | 9.334 | 9.334 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 234 | ALA | 0 | 0.047 | 0.049 | 32.285 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 235 | ASN | 0 | -0.055 | -0.046 | 32.702 | -0.342 | -0.342 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 236 | GLY | 0 | 0.040 | 0.022 | 36.319 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 237 | GLY | 0 | 0.046 | 0.009 | 37.719 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 238 | VAL | 0 | -0.008 | -0.003 | 36.722 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 239 | GLY | 0 | -0.021 | -0.019 | 39.606 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 240 | VAL | 0 | 0.009 | 0.003 | 42.203 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 241 | GLY | 0 | 0.052 | 0.028 | 42.667 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 242 | ASP | -1 | -0.843 | -0.908 | 43.543 | 6.710 | 6.710 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 243 | ALA | 0 | -0.017 | -0.014 | 45.368 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 244 | VAL | 0 | 0.058 | 0.036 | 47.292 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 245 | ARG | 1 | 0.776 | 0.888 | 44.502 | -7.069 | -7.069 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 246 | LEU | 0 | -0.083 | -0.037 | 48.647 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 247 | GLU | -1 | -0.871 | -0.938 | 51.408 | 5.764 | 5.764 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 248 | SER | 0 | -0.108 | -0.060 | 52.871 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 249 | ARG | 1 | 0.799 | 0.896 | 52.447 | -5.848 | -5.848 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 250 | ALA | 0 | 0.031 | 0.030 | 48.714 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 251 | GLY | 0 | -0.012 | -0.015 | 49.242 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 252 | GLU | -1 | -0.923 | -0.949 | 49.905 | 5.747 | 5.747 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 253 | ILE | 0 | -0.012 | 0.001 | 47.912 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 254 | GLN | 0 | 0.007 | 0.024 | 46.050 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 255 | ILE | 0 | -0.022 | -0.013 | 41.730 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 256 | ILE | 0 | -0.014 | 0.004 | 38.012 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 257 | SER | 0 | 0.033 | 0.004 | 36.167 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 258 | PHE | 0 | -0.003 | -0.022 | 30.472 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 259 | ASP | -1 | -0.813 | -0.902 | 28.073 | 10.870 | 10.870 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 260 | THR | 0 | 0.024 | 0.002 | 28.331 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 261 | ASP | -1 | -0.910 | -0.938 | 29.582 | 10.338 | 10.338 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 262 | LYS | 1 | 0.858 | 0.914 | 29.715 | -10.075 | -10.075 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 263 | GLY | 0 | 0.069 | 0.038 | 33.075 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 264 | THR | 0 | 0.004 | -0.003 | 33.966 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 265 | LEU | 0 | -0.045 | -0.010 | 31.164 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 266 | ASP | -1 | -0.825 | -0.894 | 35.678 | 8.225 | 8.225 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 267 | LEU | 0 | -0.003 | -0.002 | 38.539 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 268 | VAL | 0 | -0.019 | 0.006 | 37.323 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 269 | ASP | -1 | -0.971 | -0.980 | 39.092 | 7.518 | 7.518 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 270 | GLU | -1 | -0.935 | -0.978 | 40.929 | 6.877 | 6.877 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 271 | GLY | 0 | -0.028 | -0.006 | 43.367 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 272 | ILE | 0 | -0.108 | -0.052 | 43.950 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 273 | ILE | 0 | -0.043 | -0.026 | 39.163 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 274 | SER | 0 | 0.026 | 0.003 | 41.565 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 275 | ALA | 0 | -0.004 | -0.005 | 38.310 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 276 | THR | 0 | -0.034 | -0.018 | 33.542 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 277 | LEU | 0 | 0.001 | 0.008 | 32.569 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 278 | ALA | 0 | 0.022 | 0.015 | 28.620 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 279 | GLN | 0 | 0.063 | 0.040 | 25.627 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 280 | GLY | 0 | 0.025 | 0.030 | 23.776 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 281 | THR | 0 | 0.006 | -0.047 | 21.231 | 0.874 | 0.874 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 282 | TRP | 0 | -0.036 | -0.021 | 17.039 | 0.810 | 0.810 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 283 | ASN | 0 | -0.022 | -0.023 | 17.520 | 1.649 | 1.649 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 284 | MET | 0 | -0.024 | 0.023 | 17.051 | 1.114 | 1.114 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 285 | GLY | 0 | 0.019 | 0.035 | 14.520 | 0.942 | 0.942 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 286 | TYR | 0 | -0.010 | -0.003 | 12.985 | 2.152 | 2.152 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 287 | TRP | 0 | -0.021 | -0.012 | 12.258 | 2.628 | 2.628 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 288 | SER | 0 | 0.036 | 0.013 | 12.638 | 1.132 | 1.132 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 289 | LEU | 0 | -0.019 | -0.001 | 6.269 | 1.909 | 1.909 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 290 | THR | 0 | -0.025 | -0.019 | 7.780 | 4.913 | 4.913 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 291 | TYR | 0 | 0.008 | -0.004 | 8.942 | 2.351 | 2.351 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 292 | LEU | 0 | -0.011 | 0.010 | 7.725 | 1.470 | 1.470 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 293 | PHE | 0 | 0.027 | 0.010 | 3.138 | 2.565 | 3.990 | 0.226 | -0.565 | -1.086 | 0.004 |
252 | A | 294 | HIS | 0 | -0.071 | -0.060 | 5.420 | 2.384 | 2.450 | -0.001 | 0.001 | -0.066 | 0.000 |
253 | A | 295 | LEU | 0 | 0.007 | 0.023 | 8.352 | -0.493 | -0.493 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 296 | HIS | 0 | -0.014 | -0.013 | 1.896 | -24.340 | -25.831 | 10.769 | -4.073 | -5.206 | 0.050 |
255 | A | 297 | HIS | 1 | 0.716 | 0.850 | 1.732 | -118.340 | -123.372 | 19.129 | -7.546 | -6.551 | 0.098 |
256 | A | 298 | GLY | 0 | 0.016 | 0.019 | 6.741 | -3.593 | -3.593 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 299 | LEU | 0 | -0.093 | -0.049 | 7.966 | -2.234 | -2.234 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 300 | THR | 0 | -0.061 | -0.050 | 11.387 | -1.005 | -1.005 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 301 | GLU | -1 | -0.937 | -0.960 | 14.390 | 18.091 | 18.091 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 302 | PRO | 0 | -0.027 | -0.003 | 16.204 | -0.624 | -0.624 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 303 | GLN | 0 | -0.012 | 0.003 | 18.570 | -1.203 | -1.203 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 304 | ILE | 0 | -0.036 | -0.016 | 21.198 | 0.403 | 0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 305 | LEU | 0 | 0.032 | 0.025 | 22.902 | -0.811 | -0.811 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 306 | GLN | 0 | -0.020 | -0.029 | 25.796 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 307 | THR | 0 | -0.016 | -0.014 | 25.240 | -0.347 | -0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 308 | ARG | 1 | 0.851 | 0.914 | 25.444 | -11.322 | -11.322 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 309 | GLU | -1 | -0.864 | -0.913 | 20.762 | 15.547 | 15.547 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 310 | GLU | -1 | -0.930 | -0.965 | 16.389 | 19.303 | 19.303 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 311 | ALA | 0 | -0.016 | -0.015 | 19.111 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 312 | PRO | 0 | 0.028 | 0.010 | 14.129 | -0.529 | -0.529 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 313 | LEU | 0 | -0.003 | 0.014 | 12.092 | 1.138 | 1.138 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 314 | PRO | 0 | -0.017 | -0.007 | 16.307 | -1.128 | -1.128 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 315 | LEU | 0 | 0.043 | 0.035 | 18.577 | 0.517 | 0.517 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 316 | TYR | 0 | -0.042 | -0.039 | 20.778 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 317 | VAL | 0 | -0.041 | -0.013 | 18.107 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 318 | ASP | -1 | -0.793 | -0.903 | 21.308 | 11.784 | 11.784 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 319 | THR | 0 | -0.063 | -0.030 | 19.959 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 320 | GLY | 0 | 0.000 | 0.009 | 22.649 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 321 | ILE | 0 | -0.024 | -0.015 | 26.247 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 322 | THR | 0 | -0.053 | -0.021 | 28.662 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 323 | ILE | 0 | 0.031 | 0.018 | 31.179 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 324 | VAL | 0 | -0.062 | -0.020 | 31.974 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 325 | THR | 0 | 0.044 | -0.006 | 35.228 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 326 | ASP | -1 | -0.780 | -0.894 | 38.011 | 7.593 | 7.593 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 327 | GLU | -1 | -1.033 | -0.994 | 39.573 | 7.777 | 7.777 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 328 | ASN | 0 | -0.063 | -0.047 | 34.272 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 329 | VAL | 0 | 0.072 | 0.035 | 34.364 | 0.383 | 0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 330 | ASP | -1 | -0.904 | -0.951 | 33.790 | 8.731 | 8.731 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 331 | TYR | 0 | -0.107 | -0.061 | 30.358 | 0.291 | 0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 332 | TYR | 0 | -0.025 | -0.005 | 28.708 | 0.486 | 0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 333 | TYR | 0 | -0.075 | -0.045 | 28.228 | 0.542 | 0.542 | 0.000 | 0.000 | 0.000 | 0.000 |