![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 767GK
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 | 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 | 131 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -1115614.033407 |
---|---|
FMO2-HF: Nuclear repulsion | 1065116.306053 |
FMO2-HF: Total energy | -50497.727354 |
FMO2-MP2: Total energy | -50645.469768 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F037434/ligand_interaction/ligand_F037434.png)
Ligand Interaction
![ligand interaction](./Kdata/F037434/ligand_interaction/ligand_interaction_F037434.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. |
-24.918 | -21.424 | 4.544 | -3.19 | -4.85 | 0.02 |
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 | 0.025 | 0.030 | 3.719 | -0.488 | 0.776 | -0.008 | -0.540 | -0.717 | 0.001 |
4 | A | 19 | ALA | 0 | 0.078 | 0.021 | 6.218 | -0.457 | -0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 20 | ALA | 0 | 0.019 | 0.017 | 8.569 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 21 | VAL | 0 | 0.037 | 0.019 | 7.430 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 22 | GLN | 0 | -0.071 | -0.032 | 5.341 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 23 | SER | 0 | -0.020 | -0.016 | 8.531 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 24 | GLY | 0 | 0.041 | 0.031 | 11.935 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 25 | LEU | 0 | -0.037 | -0.018 | 8.883 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 26 | GLN | 0 | -0.044 | -0.026 | 12.006 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 27 | GLU | -1 | -0.793 | -0.888 | 14.169 | -0.310 | -0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 28 | TRP | 0 | 0.006 | -0.009 | 14.726 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 29 | HIS | 0 | -0.022 | -0.024 | 12.892 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 30 | ARG | 1 | 0.672 | 0.829 | 17.145 | 0.376 | 0.376 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 31 | ILE | 0 | -0.002 | 0.004 | 19.883 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 32 | ILE | 0 | -0.039 | -0.008 | 19.277 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 33 | ALA | 0 | -0.068 | -0.036 | 21.157 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 34 | GLU | -1 | -0.917 | -0.962 | 22.874 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 35 | ALA | 0 | -0.039 | -0.005 | 24.837 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 36 | ASP | -1 | -0.823 | -0.900 | 24.622 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 37 | TRP | 0 | 0.045 | -0.004 | 23.056 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 38 | GLU | -1 | -0.899 | -0.955 | 26.449 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 39 | ARG | 1 | 0.909 | 0.955 | 23.556 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 40 | LEU | 0 | 0.004 | 0.013 | 20.301 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 41 | PRO | 0 | 0.048 | 0.001 | 22.026 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 42 | ASP | -1 | -0.898 | -0.928 | 22.569 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 43 | LEU | 0 | -0.063 | -0.016 | 15.615 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 44 | LEU | 0 | -0.012 | 0.005 | 17.993 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 45 | ALA | 0 | 0.003 | 0.000 | 18.466 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 46 | GLU | -1 | -0.977 | -1.016 | 20.394 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 47 | ASP | -1 | -0.970 | -0.988 | 21.019 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 48 | VAL | 0 | -0.027 | 0.010 | 19.142 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 49 | VAL | 0 | 0.035 | 0.023 | 19.823 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 50 | PHE | 0 | -0.003 | -0.017 | 20.176 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 51 | SER | 0 | 0.006 | 0.007 | 21.277 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 52 | ASN | 0 | 0.042 | 0.030 | 22.421 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 53 | PRO | 0 | 0.032 | -0.007 | 24.462 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 54 | SER | 0 | -0.070 | -0.025 | 26.185 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 55 | THR | 0 | -0.036 | -0.025 | 28.845 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 56 | PHE | 0 | -0.034 | -0.004 | 25.626 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 57 | ASP | -1 | -0.915 | -0.960 | 26.546 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 58 | PRO | 0 | -0.041 | -0.016 | 23.577 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 59 | TYR | 0 | -0.038 | -0.019 | 25.559 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 60 | HIS | 0 | 0.017 | -0.002 | 24.201 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 61 | GLY | 0 | 0.020 | 0.024 | 24.653 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 62 | LYS | 1 | 0.886 | 0.925 | 23.437 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 63 | GLY | 0 | -0.008 | 0.005 | 25.976 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 64 | PRO | 0 | 0.027 | 0.001 | 27.901 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 65 | LEU | 0 | 0.032 | 0.031 | 21.169 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 66 | MET | 0 | -0.012 | -0.011 | 25.778 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 67 | VAL | 0 | -0.030 | 0.004 | 27.635 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 68 | ILE | 0 | -0.026 | -0.023 | 27.336 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 69 | LEU | 0 | -0.001 | 0.007 | 21.609 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 70 | PRO | 0 | 0.059 | 0.026 | 26.091 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 71 | ALA | 0 | 0.012 | 0.022 | 28.192 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 72 | VAL | 0 | -0.011 | 0.010 | 26.188 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 73 | PHE | 0 | 0.028 | -0.009 | 21.376 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 74 | SER | 0 | -0.098 | -0.049 | 27.525 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 75 | VAL | 0 | -0.042 | -0.033 | 30.775 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 76 | LEU | 0 | -0.055 | -0.011 | 25.480 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 77 | GLU | -1 | -0.855 | -0.919 | 29.346 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 78 | ASN | 0 | -0.100 | -0.080 | 28.331 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 79 | PHE | 0 | 0.030 | 0.025 | 20.141 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 80 | GLN | 0 | -0.025 | -0.013 | 22.167 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 81 | TYR | 0 | 0.010 | -0.013 | 16.668 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 82 | ALA | 0 | -0.042 | -0.024 | 17.740 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 83 | ARG | 1 | 0.757 | 0.865 | 14.920 | 0.446 | 0.446 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 84 | HIS | 0 | 0.008 | 0.005 | 10.152 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 85 | PHE | 0 | -0.038 | -0.012 | 8.813 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 86 | SER | 0 | -0.006 | -0.005 | 4.288 | -0.661 | -0.535 | -0.001 | -0.025 | -0.100 | 0.000 |
72 | A | 87 | SER | 0 | 0.042 | 0.029 | 4.605 | -0.038 | 0.081 | -0.001 | -0.016 | -0.102 | 0.000 |
73 | A | 88 | LYS | 1 | 0.795 | 0.873 | 2.311 | -19.825 | -17.728 | 4.547 | -2.767 | -3.878 | 0.019 |
74 | A | 89 | SER | 0 | -0.002 | -0.026 | 3.298 | 0.046 | -0.066 | 0.007 | 0.158 | -0.053 | 0.000 |
75 | A | 90 | GLY | 0 | 0.098 | 0.064 | 6.369 | 0.457 | 0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 91 | TYR | 0 | -0.048 | -0.031 | 5.741 | -1.236 | -1.236 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 92 | VAL | 0 | 0.011 | 0.014 | 8.965 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 93 | LEU | 0 | -0.009 | -0.006 | 11.256 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 94 | GLU | -1 | -0.760 | -0.871 | 14.037 | -0.442 | -0.442 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 95 | PHE | 0 | 0.006 | 0.014 | 17.098 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 96 | ASN | 0 | -0.044 | -0.031 | 20.164 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 97 | ALA | 0 | 0.039 | 0.017 | 23.764 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 98 | ASN | 0 | -0.020 | -0.007 | 26.741 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 99 | MET | 0 | 0.051 | 0.038 | 30.405 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 100 | GLY | 0 | 0.018 | 0.008 | 33.139 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 101 | ASP | -1 | -0.977 | -0.980 | 34.952 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 102 | GLH | 0 | -0.077 | -0.046 | 34.101 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 103 | LEU | 0 | -0.030 | -0.026 | 29.945 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 104 | LEU | 0 | -0.022 | -0.010 | 25.587 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 105 | THR | 0 | -0.011 | -0.004 | 22.858 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 106 | GLY | 0 | 0.026 | 0.003 | 21.778 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 107 | VAL | 0 | -0.061 | -0.024 | 16.510 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 108 | ASP | -1 | -0.752 | -0.867 | 16.147 | -0.545 | -0.545 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 109 | LEU | 0 | -0.053 | -0.027 | 13.150 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 110 | ILE | 0 | 0.012 | -0.006 | 12.110 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 111 | GLU | -1 | -0.853 | -0.909 | 9.982 | -1.729 | -1.729 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 112 | PHE | 0 | 0.006 | -0.008 | 9.959 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 113 | ASN | 0 | 0.057 | 0.033 | 10.956 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 114 | ASP | -1 | -0.900 | -0.971 | 10.713 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 115 | ALA | 0 | -0.094 | -0.044 | 12.495 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 116 | GLY | 0 | -0.023 | -0.013 | 12.380 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 117 | LYS | 1 | 0.814 | 0.903 | 13.409 | 0.372 | 0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 118 | ILE | 0 | 0.007 | 0.008 | 14.675 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 119 | THR | 0 | -0.021 | -0.047 | 14.719 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 120 | ASP | -1 | -0.856 | -0.895 | 15.174 | -0.514 | -0.514 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 121 | LEU | 0 | 0.002 | 0.005 | 15.703 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 122 | VAL | 0 | -0.013 | -0.009 | 17.292 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 123 | VAL | 0 | 0.023 | 0.021 | 18.311 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 124 | MET | 0 | -0.049 | -0.024 | 20.800 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 125 | MET | 0 | 0.019 | 0.008 | 22.087 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 126 | ARG | 1 | 0.857 | 0.961 | 24.330 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 127 | PRO | 0 | 0.068 | 0.007 | 27.086 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 128 | ALA | 0 | 0.087 | 0.014 | 29.863 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 129 | SER | 0 | -0.005 | -0.005 | 31.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 130 | VAL | 0 | 0.055 | 0.042 | 31.080 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 131 | VAL | 0 | 0.023 | 0.016 | 28.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 132 | ILE | 0 | -0.040 | -0.019 | 30.923 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 133 | ASP | -1 | -0.829 | -0.898 | 34.244 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 134 | LEU | 0 | 0.002 | -0.011 | 28.559 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 135 | SER | 0 | 0.010 | -0.005 | 31.754 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 136 | VAL | 0 | -0.047 | -0.010 | 33.345 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 137 | GLU | -1 | -0.880 | -0.934 | 35.153 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 138 | VAL | 0 | 0.019 | 0.000 | 30.780 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 139 | GLY | 0 | 0.024 | 0.013 | 33.931 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 140 | LYS | 1 | 0.903 | 0.952 | 36.353 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 141 | ARG | 1 | 0.855 | 0.922 | 34.439 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 142 | ILE | 0 | 0.023 | 0.030 | 32.037 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 143 | ALA | 0 | -0.041 | -0.018 | 36.101 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 144 | ALA | 0 | -0.057 | -0.031 | 39.722 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 145 | ALA | 0 | -0.024 | -0.001 | 36.763 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 146 | GLN | 0 | -0.096 | -0.044 | 35.967 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |