![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 6Y26Z
Calculation Name: 3F8X-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3F8X
Chain ID: A
UniProt ID: Q6D504
Base Structure: X-ray
Registration Date: 2023-09-23
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 | 131 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -1117440.703779 |
---|---|
FMO2-HF: Nuclear repulsion | 1066942.578525 |
FMO2-HF: Total energy | -50498.125254 |
FMO2-MP2: Total energy | -50645.8693 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F037432/ligand_interaction/ligand_F037432.png)
Ligand Interaction
![ligand interaction](./Kdata/F037432/ligand_interaction/ligand_interaction_F037432.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:16:SER)
Summations of interaction energy for
fragment #1(A:16:SER)
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. |
-50.851 | -50.748 | 17.073 | -8.088 | -9.086 | 0.007 |
Interaction energy analysis for fragmet #1(A:16:SER)
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 | 18 | ASN | 0 | -0.023 | 0.006 | 3.890 | -1.429 | -0.301 | -0.011 | -0.480 | -0.637 | 0.001 |
4 | A | 19 | ALA | 0 | 0.081 | 0.030 | 6.547 | -0.426 | -0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 20 | ALA | 0 | 0.012 | 0.027 | 8.748 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 21 | VAL | 0 | 0.011 | 0.009 | 7.412 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 22 | GLN | 0 | -0.053 | -0.022 | 5.807 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 23 | SER | 0 | -0.024 | -0.029 | 8.555 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 24 | GLY | 0 | 0.035 | 0.019 | 11.797 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 25 | LEU | 0 | -0.026 | -0.010 | 8.643 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 26 | GLN | 0 | -0.050 | -0.019 | 11.656 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 27 | GLU | -1 | -0.795 | -0.883 | 13.967 | -0.333 | -0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 28 | TRP | 0 | 0.002 | -0.012 | 14.402 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 29 | HIS | 0 | -0.010 | -0.016 | 12.442 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 30 | ARG | 1 | 0.659 | 0.790 | 16.802 | 0.397 | 0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 31 | ILE | 0 | -0.001 | 0.002 | 19.498 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 32 | ILE | 0 | -0.045 | -0.021 | 18.896 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 33 | ALA | 0 | -0.067 | -0.029 | 20.843 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 34 | GLU | -1 | -0.918 | -0.962 | 22.546 | -0.290 | -0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 35 | ALA | 0 | -0.028 | -0.005 | 24.526 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 36 | ASP | -1 | -0.800 | -0.880 | 24.213 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 37 | TRP | 0 | 0.051 | -0.003 | 22.848 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 38 | GLU | -1 | -0.912 | -0.968 | 25.845 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 39 | ARG | 1 | 0.854 | 0.928 | 23.098 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 40 | LEU | 0 | 0.008 | 0.017 | 19.779 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 41 | PRO | 0 | 0.022 | -0.014 | 21.674 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 42 | ASP | -1 | -0.852 | -0.899 | 22.382 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 43 | LEU | 0 | -0.070 | -0.022 | 15.229 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 44 | LEU | 0 | -0.003 | 0.011 | 17.579 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 45 | ALA | 0 | 0.007 | 0.006 | 17.929 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 46 | GLU | -1 | -0.895 | -0.969 | 19.851 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 47 | ASP | -1 | -0.925 | -0.972 | 20.759 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 48 | VAL | 0 | -0.065 | -0.015 | 18.280 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 49 | VAL | 0 | 0.047 | 0.032 | 18.666 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 50 | PHE | 0 | 0.019 | -0.009 | 19.232 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 51 | SER | 0 | 0.006 | -0.001 | 20.666 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 52 | ASN | 0 | 0.030 | 0.014 | 21.542 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 53 | PRO | 0 | 0.018 | -0.009 | 23.852 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 54 | SER | 0 | -0.040 | -0.021 | 25.479 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 55 | THR | 0 | -0.032 | -0.013 | 27.569 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 56 | PHE | 0 | -0.048 | -0.011 | 24.941 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 57 | ASP | -1 | -0.921 | -0.966 | 25.472 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 58 | PRO | 0 | -0.041 | -0.008 | 22.609 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 59 | TYR | 0 | -0.022 | -0.015 | 24.696 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 60 | HIS | 0 | 0.003 | -0.011 | 23.615 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 61 | GLY | 0 | 0.017 | 0.023 | 23.599 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 62 | LYS | 1 | 0.821 | 0.907 | 22.494 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 63 | GLY | 0 | -0.009 | 0.004 | 25.179 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 64 | PRO | 0 | 0.020 | -0.006 | 27.083 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 65 | LEU | 0 | 0.019 | 0.026 | 20.555 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 66 | MET | 0 | 0.001 | -0.002 | 25.260 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 67 | VAL | 0 | -0.031 | 0.001 | 27.279 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 68 | ILE | 0 | -0.032 | -0.017 | 26.840 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 69 | LEU | 0 | -0.001 | 0.007 | 21.429 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 70 | PRO | 0 | 0.051 | 0.025 | 25.775 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 71 | ALA | 0 | 0.002 | 0.011 | 27.905 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 72 | VAL | 0 | -0.007 | -0.006 | 25.742 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 73 | PHE | 0 | 0.045 | 0.006 | 21.130 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 74 | SER | 0 | -0.081 | -0.029 | 27.114 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 75 | VAL | 0 | -0.047 | -0.035 | 30.240 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 76 | LEU | 0 | -0.044 | -0.006 | 24.865 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 77 | GLU | -1 | -0.811 | -0.886 | 28.214 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 78 | ASN | 0 | -0.087 | -0.074 | 28.278 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 79 | PHE | 0 | 0.024 | 0.031 | 19.893 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 80 | GLN | 0 | -0.047 | -0.023 | 21.770 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 81 | TYR | 0 | 0.000 | -0.035 | 16.336 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 82 | ALA | 0 | -0.025 | -0.019 | 17.356 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 83 | ARG | 1 | 0.750 | 0.849 | 14.834 | 0.368 | 0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 84 | HIS | 0 | -0.002 | 0.005 | 10.078 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 85 | PHE | 0 | -0.013 | -0.007 | 8.441 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 86 | SER | 0 | -0.008 | -0.007 | 3.794 | -0.623 | -0.237 | 0.006 | -0.142 | -0.249 | -0.001 |
72 | A | 87 | SER | 0 | -0.020 | -0.030 | 4.193 | -0.405 | 0.042 | -0.001 | -0.216 | -0.230 | -0.001 |
73 | A | 88 | LYS | 1 | 0.809 | 0.877 | 1.955 | -47.159 | -48.781 | 17.068 | -7.525 | -7.920 | 0.008 |
74 | A | 89 | SER | 0 | -0.010 | -0.039 | 3.284 | 0.234 | -0.002 | 0.011 | 0.275 | -0.050 | 0.000 |
75 | A | 90 | GLY | 0 | 0.065 | 0.037 | 5.586 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 91 | TYR | 0 | -0.031 | -0.014 | 5.264 | -0.957 | -0.957 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 92 | VAL | 0 | -0.006 | 0.004 | 8.485 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 93 | LEU | 0 | 0.000 | -0.001 | 10.989 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 94 | GLU | -1 | -0.772 | -0.853 | 13.837 | -0.362 | -0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 95 | PHE | 0 | 0.000 | 0.006 | 16.987 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 96 | ASN | 0 | -0.053 | -0.040 | 20.036 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 97 | ALA | 0 | 0.055 | 0.033 | 23.692 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 98 | ASN | 0 | -0.068 | -0.043 | 26.711 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 99 | MET | 0 | 0.030 | 0.030 | 30.457 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 100 | GLY | 0 | 0.013 | 0.003 | 33.292 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 101 | ASP | -1 | -0.947 | -0.975 | 34.818 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 102 | GLH | 0 | -0.082 | -0.068 | 34.052 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 103 | LEU | 0 | -0.012 | -0.011 | 30.136 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 104 | LEU | 0 | -0.032 | -0.013 | 25.617 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 105 | THR | 0 | -0.011 | 0.001 | 23.022 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 106 | GLY | 0 | 0.021 | -0.003 | 21.620 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 107 | VAL | 0 | -0.052 | -0.016 | 16.226 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 108 | ASP | -1 | -0.735 | -0.846 | 16.033 | -0.409 | -0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 109 | LEU | 0 | -0.054 | -0.027 | 12.032 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 110 | ILE | 0 | 0.026 | 0.004 | 11.791 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 111 | GLU | -1 | -0.779 | -0.840 | 8.331 | -0.887 | -0.887 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 112 | PHE | 0 | 0.013 | 0.005 | 9.960 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 113 | ASN | 0 | 0.046 | 0.027 | 10.524 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 114 | ASP | -1 | -0.865 | -0.957 | 10.339 | 0.664 | 0.664 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 115 | ALA | 0 | -0.034 | -0.018 | 12.132 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 116 | GLY | 0 | -0.003 | -0.004 | 12.300 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 117 | LYS | 1 | 0.799 | 0.899 | 13.354 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 118 | ILE | 0 | 0.008 | 0.015 | 14.148 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 119 | THR | 0 | -0.013 | -0.042 | 13.979 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 120 | ASP | -1 | -0.889 | -0.915 | 14.200 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 121 | LEU | 0 | -0.004 | 0.003 | 14.730 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 122 | VAL | 0 | -0.020 | -0.015 | 16.447 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 123 | VAL | 0 | 0.018 | 0.020 | 17.410 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 124 | MET | 0 | -0.032 | -0.021 | 20.108 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 125 | MET | 0 | 0.007 | 0.002 | 21.634 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 126 | ARG | 1 | 0.872 | 0.950 | 23.974 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 127 | PRO | 0 | 0.045 | 0.010 | 26.735 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 128 | ALA | 0 | 0.073 | 0.007 | 29.610 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 129 | SER | 0 | -0.009 | 0.003 | 30.513 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 130 | VAL | 0 | 0.078 | 0.044 | 31.066 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 131 | VAL | 0 | 0.011 | 0.014 | 27.581 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 132 | ILE | 0 | -0.019 | 0.009 | 30.468 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 133 | ASP | -1 | -0.844 | -0.896 | 33.737 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 134 | LEU | 0 | 0.012 | 0.001 | 28.171 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 135 | SER | 0 | 0.001 | -0.015 | 31.216 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 136 | VAL | 0 | -0.042 | -0.011 | 32.831 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 137 | GLU | -1 | -0.814 | -0.882 | 34.870 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 138 | VAL | 0 | 0.021 | 0.001 | 30.426 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 139 | GLY | 0 | 0.020 | 0.016 | 33.678 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 140 | LYS | 1 | 0.821 | 0.899 | 36.080 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 141 | ARG | 1 | 0.818 | 0.896 | 33.965 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 142 | ILE | 0 | 0.038 | 0.022 | 31.430 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 143 | ALA | 0 | -0.035 | -0.012 | 35.676 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 144 | ALA | 0 | -0.043 | -0.029 | 39.392 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 145 | ALA | 0 | -0.025 | 0.003 | 36.387 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 146 | GLN | 0 | -0.098 | -0.041 | 35.705 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |