![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: G63J1
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 | OptHSide |
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 | -3942236.972486 |
---|---|
FMO2-HF: Nuclear repulsion | 3830553.915986 |
FMO2-HF: Total energy | -111683.0565 |
FMO2-MP2: Total energy | -112010.691444 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F030042/ligand_interaction/ligand_F030042.png)
Ligand Interaction
![ligand interaction](./Kdata/F030042/ligand_interaction/ligand_interaction_F030042.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. |
122.433 | 117.025 | 52.518 | -22.893 | -24.219 | 0.229 |
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 | -0.011 | -0.029 | 1.609 | -25.643 | -32.684 | 22.829 | -9.131 | -6.658 | 0.066 |
4 | A | 46 | MET | 0 | -0.022 | -0.007 | 5.953 | -2.943 | -2.943 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 47 | MET | 0 | -0.015 | 0.018 | 9.731 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 48 | ILE | 0 | -0.052 | -0.043 | 12.835 | -0.771 | -0.771 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 49 | THR | 0 | 0.039 | -0.008 | 15.947 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 50 | PHE | 0 | 0.052 | 0.027 | 19.429 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 51 | GLN | 0 | 0.025 | 0.014 | 23.100 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 52 | SER | 0 | -0.020 | -0.012 | 20.820 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 53 | GLY | 0 | -0.032 | -0.014 | 22.046 | 0.349 | 0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 54 | MET | 0 | -0.033 | -0.002 | 24.467 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 55 | ASP | -1 | -0.869 | -0.950 | 24.101 | 11.299 | 11.299 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 56 | TYR | 0 | -0.018 | -0.019 | 22.932 | 0.447 | 0.447 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 57 | TRP | 0 | 0.002 | -0.021 | 19.605 | 0.970 | 0.970 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 58 | LYS | 1 | 0.924 | 0.965 | 19.255 | -12.866 | -12.866 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 59 | ARG | 1 | 0.874 | 0.929 | 19.384 | -11.278 | -11.278 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 60 | CYS | 0 | -0.004 | 0.018 | 17.608 | 0.482 | 0.482 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 61 | LEU | 0 | 0.007 | -0.012 | 13.525 | 1.049 | 1.049 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 62 | LYS | 1 | 0.885 | 0.941 | 14.456 | -15.911 | -15.911 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 63 | GLY | 0 | 0.044 | 0.032 | 15.382 | 0.667 | 0.667 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 64 | PHE | 0 | -0.038 | -0.022 | 9.269 | 1.589 | 1.589 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 65 | GLU | -1 | -0.936 | -0.986 | 10.521 | 20.630 | 20.630 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 66 | ASP | -1 | -0.810 | -0.881 | 11.830 | 18.637 | 18.637 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 67 | ALA | 0 | 0.000 | -0.006 | 10.080 | 0.673 | 0.673 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 68 | ALA | 0 | 0.002 | 0.004 | 7.346 | 2.551 | 2.551 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 69 | GLN | 0 | -0.042 | -0.016 | 8.195 | 1.449 | 1.449 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 70 | ALA | 0 | -0.030 | -0.013 | 10.656 | 0.485 | 0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 71 | LEU | 0 | -0.058 | -0.029 | 5.716 | -0.281 | -0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 72 | ASN | 0 | -0.104 | -0.041 | 6.042 | 3.141 | 3.141 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 73 | VAL | 0 | -0.026 | 0.003 | 2.482 | 1.806 | 3.203 | 2.209 | -1.047 | -2.559 | 0.013 |
32 | A | 74 | THR | 0 | -0.020 | -0.010 | 4.015 | -7.877 | -7.285 | -0.001 | -0.167 | -0.425 | 0.000 |
33 | A | 75 | VAL | 0 | 0.024 | 0.022 | 5.451 | 2.664 | 2.664 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 76 | GLU | -1 | -0.843 | -0.914 | 8.025 | 19.995 | 19.995 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 77 | TYR | 0 | 0.037 | 0.033 | 10.409 | 0.346 | 0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 78 | ARG | 1 | 0.819 | 0.894 | 11.814 | -18.470 | -18.470 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 79 | GLY | 0 | 0.076 | 0.035 | 16.188 | 0.306 | 0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 80 | ALA | 0 | -0.008 | 0.016 | 19.499 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 81 | ALA | 0 | -0.031 | -0.021 | 22.839 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 82 | GLN | 0 | -0.051 | -0.032 | 24.985 | -0.467 | -0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 83 | TYR | 0 | -0.014 | -0.014 | 26.610 | 0.485 | 0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 84 | ASP | -1 | -0.848 | -0.943 | 27.391 | 9.817 | 9.817 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 85 | ILE | 0 | 0.064 | 0.036 | 26.414 | 0.434 | 0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 86 | GLN | 0 | 0.005 | 0.008 | 25.537 | 0.686 | 0.686 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 87 | GLU | -1 | -0.811 | -0.897 | 23.806 | 11.745 | 11.745 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 88 | GLN | 0 | 0.001 | -0.021 | 20.789 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 89 | ILE | 0 | 0.017 | 0.016 | 20.696 | 0.749 | 0.749 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 90 | THR | 0 | -0.056 | -0.036 | 20.724 | 0.429 | 0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 91 | VAL | 0 | -0.009 | -0.006 | 17.128 | 0.556 | 0.556 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 92 | LEU | 0 | 0.022 | 0.019 | 15.286 | 0.948 | 0.948 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 93 | GLU | -1 | -0.785 | -0.883 | 15.855 | 14.818 | 14.818 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 94 | GLN | 0 | -0.097 | -0.051 | 16.032 | 0.723 | 0.723 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 95 | ALA | 0 | -0.031 | -0.016 | 12.218 | 0.688 | 0.688 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 96 | ILE | 0 | 0.043 | 0.009 | 11.357 | 1.683 | 1.683 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 97 | ALA | 0 | -0.036 | -0.003 | 12.547 | 0.794 | 0.794 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 98 | LYS | 1 | 0.775 | 0.881 | 8.372 | -21.425 | -21.425 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 99 | ASN | 0 | -0.064 | -0.026 | 7.941 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 100 | PRO | 0 | -0.045 | -0.010 | 5.673 | 2.431 | 2.431 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 101 | ALA | 0 | 0.016 | 0.004 | 2.280 | -0.267 | -0.105 | 1.734 | -0.712 | -1.184 | -0.001 |
60 | A | 102 | GLY | 0 | 0.048 | 0.019 | 4.281 | 0.461 | 0.637 | -0.001 | -0.040 | -0.135 | 0.000 |
61 | A | 103 | ILE | 0 | -0.060 | -0.031 | 7.456 | -0.444 | -0.444 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 104 | ALA | 0 | 0.032 | 0.023 | 10.728 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 105 | ILE | 0 | -0.007 | -0.012 | 12.949 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 106 | SER | 0 | -0.021 | 0.003 | 16.370 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 107 | ALA | 0 | -0.008 | -0.011 | 19.856 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 108 | ILE | 0 | -0.033 | -0.025 | 22.166 | -0.384 | -0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 109 | ASP | -1 | -0.838 | -0.914 | 25.212 | 9.880 | 9.880 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 110 | PRO | 0 | -0.045 | -0.013 | 25.828 | 0.426 | 0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 111 | VAL | 0 | -0.017 | -0.026 | 26.964 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 112 | GLU | -1 | -0.954 | -0.982 | 27.603 | 10.096 | 10.096 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 113 | LEU | 0 | -0.021 | -0.021 | 20.762 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 114 | THR | 0 | 0.011 | 0.004 | 22.555 | 0.812 | 0.812 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 115 | ASP | -1 | -0.893 | -0.937 | 22.616 | 11.886 | 11.886 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 116 | THR | 0 | -0.042 | -0.029 | 19.219 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 117 | ILE | 0 | -0.018 | -0.016 | 17.992 | 0.907 | 0.907 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 118 | ASN | 0 | 0.055 | 0.014 | 17.832 | 1.326 | 1.326 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 119 | LYS | 1 | 0.841 | 0.924 | 18.947 | -13.356 | -13.356 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 120 | ALA | 0 | 0.016 | 0.005 | 13.916 | 0.536 | 0.536 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 121 | VAL | 0 | -0.018 | -0.006 | 14.485 | 1.150 | 1.150 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 122 | ASP | -1 | -0.938 | -0.968 | 15.819 | 15.331 | 15.331 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 123 | ALA | 0 | -0.133 | -0.062 | 14.555 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 124 | GLY | 0 | -0.016 | -0.006 | 13.134 | 0.911 | 0.911 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 125 | ILE | 0 | -0.071 | -0.024 | 8.960 | 2.550 | 2.550 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 126 | PRO | 0 | -0.001 | -0.001 | 7.412 | -1.992 | -1.992 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 127 | ILE | 0 | -0.001 | -0.012 | 10.299 | 0.461 | 0.461 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 128 | VAL | 0 | -0.043 | -0.008 | 12.554 | -0.794 | -0.794 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 129 | LEU | 0 | 0.035 | 0.027 | 14.861 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 130 | PHE | 0 | -0.016 | -0.030 | 15.857 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 131 | ASP | -1 | -0.744 | -0.833 | 18.586 | 12.425 | 12.425 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 132 | SER | 0 | -0.056 | -0.024 | 21.794 | -0.871 | -0.871 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 133 | GLY | 0 | 0.002 | -0.015 | 21.995 | 0.627 | 0.627 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 134 | ALA | 0 | 0.077 | 0.021 | 22.651 | -0.358 | -0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 135 | PRO | 0 | -0.069 | -0.028 | 23.890 | 0.456 | 0.456 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 136 | ASP | -1 | -0.902 | -0.935 | 26.008 | 10.744 | 10.744 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 137 | SER | 0 | -0.112 | -0.050 | 21.800 | 0.305 | 0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 138 | HIS | 0 | 0.025 | -0.001 | 20.427 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 139 | ALA | 0 | -0.014 | -0.004 | 17.261 | 0.869 | 0.869 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 140 | HIS | 0 | 0.010 | -0.005 | 13.570 | 0.485 | 0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 141 | SER | 0 | -0.017 | -0.028 | 16.125 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 142 | PHE | 0 | -0.030 | 0.000 | 17.726 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 143 | LEU | 0 | -0.013 | -0.006 | 15.620 | -0.267 | -0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 144 | GLY | 0 | 0.064 | 0.007 | 19.432 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 145 | THR | 0 | 0.007 | -0.013 | 22.489 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 146 | ASN | 0 | 0.037 | 0.056 | 26.194 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 147 | ASN | 0 | 0.029 | -0.004 | 27.751 | -0.410 | -0.410 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 148 | TYR | 0 | -0.006 | -0.008 | 31.069 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 149 | ASN | 0 | 0.030 | -0.013 | 31.317 | -0.464 | -0.464 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 150 | ALA | 0 | 0.014 | 0.010 | 31.160 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 151 | GLY | 0 | 0.020 | 0.019 | 33.218 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 152 | MET | 0 | 0.025 | 0.026 | 35.247 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 153 | ASN | 0 | -0.065 | -0.053 | 33.789 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 154 | ALA | 0 | 0.017 | 0.015 | 36.896 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 155 | ALA | 0 | -0.002 | 0.010 | 38.636 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 156 | TYR | 0 | -0.093 | -0.078 | 39.331 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 157 | LYS | 1 | 0.787 | 0.883 | 39.578 | -7.782 | -7.782 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 158 | MET | 0 | 0.024 | 0.003 | 41.658 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 159 | ALA | 0 | 0.004 | 0.003 | 44.226 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 160 | GLU | -1 | -0.851 | -0.894 | 42.886 | 7.268 | 7.268 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 161 | LEU | 0 | -0.064 | -0.031 | 43.041 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 162 | LEU | 0 | -0.037 | -0.023 | 47.153 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 163 | ASP | -1 | -0.935 | -0.956 | 49.903 | 6.025 | 6.025 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 164 | GLY | 0 | -0.086 | -0.050 | 49.866 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 165 | GLU | -1 | -1.016 | -1.020 | 50.955 | 5.590 | 5.590 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 166 | GLY | 0 | 0.042 | 0.020 | 52.517 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 167 | GLU | -1 | -0.856 | -0.914 | 52.107 | 5.782 | 5.782 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 168 | VAL | 0 | 0.007 | -0.008 | 46.634 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 169 | ALA | 0 | 0.008 | 0.013 | 46.986 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 170 | VAL | 0 | -0.036 | -0.023 | 40.801 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 171 | ILE | 0 | -0.009 | 0.007 | 40.779 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 172 | THR | 0 | 0.057 | -0.007 | 37.303 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 173 | LEU | 0 | -0.045 | -0.036 | 33.932 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 174 | PRO | 0 | 0.005 | -0.005 | 36.896 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 175 | ASN | 0 | -0.021 | -0.007 | 37.252 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 176 | GLN | 0 | 0.015 | 0.029 | 30.400 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 177 | LEU | 0 | 0.075 | 0.037 | 30.299 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 178 | ASN | 0 | 0.042 | 0.010 | 27.928 | -0.400 | -0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 179 | HIS | 0 | 0.083 | 0.035 | 31.192 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 180 | GLN | 0 | 0.012 | 0.011 | 34.291 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 181 | GLU | -1 | -0.894 | -0.943 | 32.362 | 9.011 | 9.011 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 182 | ARG | 1 | 0.798 | 0.909 | 29.022 | -10.241 | -10.241 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 183 | THR | 0 | 0.021 | 0.001 | 35.434 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 184 | THR | 0 | -0.044 | -0.024 | 38.220 | -0.283 | -0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 185 | GLY | 0 | 0.055 | 0.033 | 37.491 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 186 | PHE | 0 | -0.034 | -0.005 | 38.481 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 187 | LYS | 1 | 0.870 | 0.893 | 40.661 | -7.146 | -7.146 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 188 | GLU | -1 | -0.863 | -0.910 | 41.173 | 7.609 | 7.609 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 189 | THR | 0 | -0.020 | -0.028 | 40.322 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 190 | LEU | 0 | -0.032 | -0.004 | 42.929 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 191 | GLU | -1 | -0.879 | -0.924 | 46.086 | 6.708 | 6.708 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 192 | ALA | 0 | -0.100 | -0.029 | 45.095 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 193 | GLU | -1 | -0.894 | -0.932 | 44.018 | 7.072 | 7.072 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 194 | PHE | 0 | -0.060 | -0.043 | 44.636 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 195 | PRO | 0 | 0.014 | 0.001 | 49.576 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 196 | ALA | 0 | -0.039 | -0.009 | 52.550 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 197 | ILE | 0 | -0.019 | 0.027 | 48.075 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 198 | GLU | -1 | -0.958 | -0.976 | 50.853 | 5.907 | 5.907 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 199 | VAL | 0 | -0.051 | -0.037 | 45.890 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 200 | ILE | 0 | 0.003 | 0.009 | 48.994 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 201 | ALA | 0 | -0.001 | -0.002 | 48.965 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 202 | VAL | 0 | -0.025 | -0.011 | 42.770 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 203 | GLU | -1 | -0.915 | -0.952 | 44.419 | 6.483 | 6.483 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 204 | ASP | -1 | -0.824 | -0.912 | 40.991 | 7.752 | 7.752 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 205 | GLY | 0 | 0.064 | 0.019 | 40.818 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 206 | ARG | 1 | 0.750 | 0.851 | 39.265 | -7.214 | -7.214 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 207 | GLY | 0 | 0.021 | 0.027 | 35.848 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 208 | ASP | -1 | -0.859 | -0.936 | 36.150 | 7.650 | 7.650 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 209 | SER | 0 | 0.012 | -0.006 | 38.925 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 210 | LEU | 0 | -0.064 | -0.039 | 40.667 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 211 | HIS | 0 | -0.078 | -0.029 | 42.386 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 212 | SER | 0 | 0.038 | 0.016 | 41.087 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 213 | ARG | 1 | 0.850 | 0.950 | 43.504 | -6.820 | -6.820 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 214 | ARG | 1 | 0.913 | 0.955 | 46.102 | -6.572 | -6.572 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 215 | VAL | 0 | -0.008 | 0.009 | 45.474 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 216 | ALA | 0 | 0.048 | 0.008 | 46.008 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 217 | HIS | 0 | -0.091 | -0.031 | 47.939 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 218 | GLN | 0 | -0.100 | -0.061 | 51.062 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 219 | LEU | 0 | 0.006 | -0.015 | 47.776 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 220 | LEU | 0 | -0.001 | 0.005 | 50.238 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 221 | GLU | -1 | -0.969 | -0.972 | 53.498 | 5.493 | 5.493 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 222 | ASP | -1 | -0.923 | -0.954 | 54.668 | 5.593 | 5.593 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 223 | TYR | 0 | -0.055 | -0.024 | 52.163 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 224 | PRO | 0 | -0.020 | -0.013 | 55.522 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 225 | ASN | 0 | -0.101 | -0.065 | 56.971 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 226 | LEU | 0 | -0.003 | 0.021 | 49.396 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 227 | ALA | 0 | 0.012 | 0.003 | 51.531 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 228 | GLY | 0 | 0.019 | 0.008 | 47.547 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 229 | ILE | 0 | -0.032 | -0.022 | 43.583 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 230 | PHE | 0 | 0.006 | 0.012 | 36.393 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 231 | ALA | 0 | 0.012 | 0.008 | 38.734 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 232 | THR | 0 | -0.048 | -0.022 | 35.280 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 233 | GLU | -1 | -0.792 | -0.900 | 33.167 | 9.225 | 9.225 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 234 | ALA | 0 | 0.045 | 0.041 | 32.320 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 235 | ASN | 0 | -0.056 | -0.048 | 33.007 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 236 | GLY | 0 | 0.050 | 0.014 | 36.509 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 237 | GLY | 0 | 0.055 | 0.017 | 37.867 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 238 | VAL | 0 | 0.025 | 0.024 | 36.971 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 239 | GLY | 0 | -0.037 | -0.013 | 39.845 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 240 | VAL | 0 | 0.024 | -0.004 | 42.273 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 241 | GLY | 0 | 0.056 | 0.030 | 42.719 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 242 | ASP | -1 | -0.870 | -0.923 | 43.999 | 6.902 | 6.902 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 243 | ALA | 0 | -0.015 | -0.013 | 45.846 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 244 | VAL | 0 | 0.092 | 0.065 | 47.455 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 245 | ARG | 1 | 0.841 | 0.914 | 44.971 | -6.967 | -6.967 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 246 | LEU | 0 | -0.123 | -0.072 | 48.942 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 247 | GLU | -1 | -0.854 | -0.908 | 51.495 | 5.728 | 5.728 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 248 | SER | 0 | -0.146 | -0.082 | 53.137 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 249 | ARG | 1 | 0.853 | 0.903 | 52.368 | -5.852 | -5.852 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 250 | ALA | 0 | 0.029 | 0.030 | 48.683 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 251 | GLY | 0 | -0.005 | 0.010 | 49.075 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 252 | GLU | -1 | -0.945 | -0.969 | 49.755 | 5.664 | 5.664 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 253 | ILE | 0 | -0.031 | -0.010 | 47.929 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 254 | GLN | 0 | 0.027 | 0.024 | 46.059 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 255 | ILE | 0 | -0.002 | 0.004 | 41.746 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 256 | ILE | 0 | -0.003 | -0.003 | 38.058 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 257 | SER | 0 | 0.029 | 0.011 | 36.167 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 258 | PHE | 0 | -0.011 | -0.022 | 30.093 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 259 | ASP | -1 | -0.848 | -0.907 | 28.276 | 10.744 | 10.744 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 260 | THR | 0 | 0.008 | -0.017 | 28.564 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 261 | ASP | -1 | -0.905 | -0.932 | 30.101 | 10.179 | 10.179 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 262 | LYS | 1 | 0.949 | 0.958 | 31.225 | -9.476 | -9.476 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 263 | GLY | 0 | 0.044 | 0.031 | 33.341 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 264 | THR | 0 | 0.012 | 0.005 | 34.065 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 265 | LEU | 0 | -0.038 | -0.012 | 31.344 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 266 | ASP | -1 | -0.836 | -0.902 | 35.857 | 8.174 | 8.174 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 267 | LEU | 0 | 0.010 | 0.001 | 38.819 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 268 | VAL | 0 | -0.023 | 0.000 | 37.473 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 269 | ASP | -1 | -0.967 | -0.978 | 39.027 | 7.546 | 7.546 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 270 | GLU | -1 | -1.021 | -1.014 | 40.842 | 6.910 | 6.910 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 271 | GLY | 0 | -0.025 | -0.008 | 43.554 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 272 | ILE | 0 | -0.112 | -0.052 | 43.992 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 273 | ILE | 0 | -0.058 | -0.026 | 39.015 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 274 | SER | 0 | 0.056 | 0.020 | 41.974 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 275 | ALA | 0 | -0.024 | -0.019 | 38.309 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 276 | THR | 0 | -0.036 | -0.021 | 33.482 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 277 | LEU | 0 | -0.006 | 0.010 | 32.417 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 278 | ALA | 0 | 0.039 | 0.020 | 28.652 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 279 | GLN | 0 | 0.045 | 0.032 | 25.498 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 280 | GLY | 0 | 0.023 | 0.030 | 23.656 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 281 | THR | 0 | 0.044 | -0.018 | 21.015 | 0.818 | 0.818 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 282 | TRP | 0 | -0.032 | -0.023 | 17.145 | 0.784 | 0.784 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 283 | ASN | 0 | -0.012 | -0.015 | 17.558 | 1.538 | 1.538 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 284 | MET | 0 | -0.012 | 0.025 | 17.025 | 1.212 | 1.212 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 285 | GLY | 0 | 0.018 | 0.036 | 14.527 | 1.066 | 1.066 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 286 | TYR | 0 | 0.009 | 0.003 | 12.956 | 2.164 | 2.164 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 287 | TRP | 0 | -0.002 | -0.013 | 12.397 | 2.532 | 2.532 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 288 | SER | 0 | 0.025 | 0.015 | 12.728 | 1.030 | 1.030 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 289 | LEU | 0 | -0.011 | 0.008 | 6.468 | 2.113 | 2.113 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 290 | THR | 0 | -0.038 | -0.026 | 7.907 | 5.003 | 5.003 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 291 | TYR | 0 | 0.004 | -0.009 | 8.766 | 2.721 | 2.721 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 292 | LEU | 0 | -0.021 | -0.001 | 7.522 | 1.213 | 1.213 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 293 | PHE | 0 | 0.026 | 0.012 | 3.105 | 1.783 | 3.414 | 0.344 | -0.694 | -1.281 | 0.005 |
252 | A | 294 | HIS | 0 | -0.063 | -0.062 | 5.366 | 2.859 | 2.936 | -0.001 | 0.001 | -0.077 | 0.000 |
253 | A | 295 | LEU | 0 | 0.009 | 0.029 | 8.186 | -0.631 | -0.631 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 296 | HIS | 0 | 0.020 | 0.008 | 2.128 | -22.221 | -20.267 | 6.416 | -3.237 | -5.134 | 0.043 |
255 | A | 297 | HIS | 1 | 0.684 | 0.843 | 1.734 | -120.913 | -125.269 | 18.989 | -7.866 | -6.766 | 0.103 |
256 | A | 298 | GLY | 0 | 0.006 | 0.010 | 6.710 | -3.647 | -3.647 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 299 | LEU | 0 | -0.079 | -0.047 | 7.880 | -1.898 | -1.898 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 300 | THR | 0 | -0.066 | -0.045 | 11.178 | -1.427 | -1.427 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 301 | GLU | -1 | -0.944 | -0.956 | 14.027 | 18.275 | 18.275 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 302 | PRO | 0 | -0.031 | -0.014 | 15.743 | -0.801 | -0.801 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 303 | GLN | 0 | -0.003 | 0.007 | 18.262 | -0.961 | -0.961 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 304 | ILE | 0 | -0.019 | -0.005 | 21.228 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 305 | LEU | 0 | 0.016 | 0.007 | 22.655 | -0.854 | -0.854 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 306 | GLN | 0 | -0.003 | -0.018 | 25.525 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 307 | THR | 0 | -0.038 | -0.025 | 24.767 | -0.365 | -0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 308 | ARG | 1 | 0.849 | 0.910 | 25.319 | -11.346 | -11.346 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 309 | GLU | -1 | -0.859 | -0.900 | 20.489 | 15.476 | 15.476 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 310 | GLU | -1 | -0.926 | -0.963 | 16.522 | 18.888 | 18.888 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 311 | ALA | 0 | -0.021 | -0.014 | 18.807 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 312 | PRO | 0 | 0.014 | 0.000 | 13.929 | -0.489 | -0.489 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 313 | LEU | 0 | 0.002 | 0.009 | 12.132 | 0.840 | 0.840 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 314 | PRO | 0 | -0.024 | -0.009 | 16.307 | -1.138 | -1.138 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 315 | LEU | 0 | 0.063 | 0.041 | 18.669 | 0.503 | 0.503 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 316 | TYR | 0 | -0.038 | -0.039 | 20.970 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 317 | VAL | 0 | -0.043 | -0.016 | 17.737 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 318 | ASP | -1 | -0.836 | -0.924 | 21.012 | 11.756 | 11.756 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 319 | THR | 0 | -0.077 | -0.047 | 20.163 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 320 | GLY | 0 | 0.008 | 0.006 | 22.895 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 321 | ILE | 0 | -0.039 | -0.025 | 26.522 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 322 | THR | 0 | -0.064 | -0.034 | 28.746 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 323 | ILE | 0 | 0.022 | 0.015 | 31.141 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 324 | VAL | 0 | -0.037 | -0.004 | 31.943 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 325 | THR | 0 | 0.074 | 0.023 | 35.148 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 326 | ASP | -1 | -0.837 | -0.934 | 37.890 | 7.585 | 7.585 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 327 | GLU | -1 | -1.011 | -0.987 | 39.230 | 7.717 | 7.717 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 328 | ASN | 0 | -0.061 | -0.050 | 33.625 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 329 | VAL | 0 | 0.058 | 0.035 | 34.430 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 330 | ASP | -1 | -0.879 | -0.940 | 33.942 | 8.655 | 8.655 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 331 | TYR | 0 | -0.116 | -0.067 | 30.501 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 332 | TYR | 0 | -0.037 | -0.012 | 28.672 | 0.484 | 0.484 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 333 | TYR | 0 | -0.081 | -0.047 | 28.391 | 0.536 | 0.536 | 0.000 | 0.000 | 0.000 | 0.000 |