FMODB ID: Z6L7N
Calculation Name: 2CU5-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2CU5
Chain ID: A
UniProt ID: Q5SHL7
Base Structure: X-ray
Registration Date: 2023-06-22
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 | 129 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -1073868.2178 |
---|---|
FMO2-HF: Nuclear repulsion | 1024201.965916 |
FMO2-HF: Total energy | -49666.251884 |
FMO2-MP2: Total energy | -49814.028993 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:1:MET)
Summations of interaction energy for
fragment #1(A:1:MET)
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. |
-17.782 | -8.698 | 9.027 | -5.269 | -12.84 | -0.015 |
Interaction energy analysis for fragmet #1(A:1:MET)
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 | 3 | GLY | 0 | -0.020 | -0.012 | 3.871 | -0.372 | 1.384 | -0.009 | -0.833 | -0.913 | 0.004 |
4 | A | 4 | VAL | 0 | -0.081 | -0.042 | 2.399 | 0.715 | 1.768 | 1.464 | -0.515 | -2.003 | 0.001 |
5 | A | 5 | VAL | 0 | 0.034 | 0.028 | 2.544 | -6.789 | -4.656 | 1.123 | -1.548 | -1.707 | -0.019 |
6 | A | 6 | ARG | 1 | 0.864 | 0.917 | 2.364 | -13.407 | -12.035 | 4.670 | -1.593 | -4.450 | 0.007 |
7 | A | 7 | LEU | 0 | -0.020 | 0.003 | 4.083 | 0.378 | 0.481 | 0.003 | -0.032 | -0.074 | 0.000 |
8 | A | 8 | GLU | -1 | -0.863 | -0.938 | 7.352 | 1.110 | 1.110 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | VAL | 0 | -0.062 | -0.046 | 9.742 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | PRO | 0 | 0.012 | 0.011 | 13.116 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | THR | 0 | -0.059 | -0.039 | 15.253 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | PRO | 0 | 0.026 | 0.012 | 18.104 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | GLU | -1 | -0.813 | -0.898 | 20.833 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | GLU | -1 | -0.807 | -0.888 | 21.621 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | GLY | 0 | 0.012 | -0.006 | 21.414 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | PHE | 0 | -0.015 | -0.002 | 19.982 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | VAL | 0 | 0.027 | 0.018 | 17.018 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | ASN | 0 | -0.006 | 0.001 | 17.521 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | ILE | 0 | 0.005 | -0.002 | 12.380 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | THR | 0 | 0.007 | 0.001 | 15.232 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | ARG | 1 | 0.869 | 0.904 | 16.748 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | LYS | 1 | 0.920 | 0.953 | 12.874 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | VAL | 0 | 0.038 | 0.015 | 11.669 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | GLU | -1 | -0.790 | -0.882 | 13.223 | -0.623 | -0.623 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | ALA | 0 | -0.031 | -0.008 | 14.315 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | ALA | 0 | 0.024 | 0.021 | 9.848 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | LEU | 0 | -0.051 | -0.019 | 11.618 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | SER | 0 | -0.028 | -0.011 | 12.188 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | GLY | 0 | 0.013 | 0.008 | 14.866 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | HIS | 0 | -0.016 | -0.020 | 15.043 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | THR | 0 | -0.020 | -0.017 | 17.189 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | GLY | 0 | 0.021 | 0.022 | 18.342 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | LEU | 0 | 0.009 | 0.007 | 16.165 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | VAL | 0 | -0.006 | 0.001 | 11.474 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | TYR | 0 | 0.007 | 0.013 | 8.201 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | LEU | 0 | -0.004 | -0.005 | 8.958 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | PHE | 0 | 0.016 | -0.002 | 5.663 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | VAL | 0 | 0.058 | 0.029 | 7.277 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | PRO | 0 | -0.008 | 0.025 | 5.520 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | HIS | 0 | -0.033 | -0.044 | 8.012 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | THR | 0 | 0.020 | 0.007 | 11.605 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | THR | 0 | -0.023 | -0.028 | 15.154 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | CYS | 0 | 0.011 | 0.010 | 13.096 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | GLY | 0 | 0.053 | 0.030 | 14.708 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | LEU | 0 | -0.081 | -0.022 | 10.287 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | THR | 0 | 0.049 | 0.018 | 14.900 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | VAL | 0 | -0.033 | -0.021 | 18.003 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | GLN | 0 | 0.024 | 0.016 | 20.437 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | GLU | -1 | -0.845 | -0.925 | 23.666 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | GLY | 0 | -0.020 | -0.021 | 25.792 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | ALA | 0 | -0.074 | -0.029 | 26.705 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | ASP | -1 | -0.802 | -0.867 | 29.855 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | PRO | 0 | -0.031 | -0.031 | 28.888 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | THR | 0 | -0.023 | -0.037 | 29.529 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | VAL | 0 | 0.030 | 0.025 | 27.894 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | ALA | 0 | 0.024 | 0.006 | 25.409 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | GLN | 0 | -0.027 | -0.023 | 26.984 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | ASP | -1 | -0.809 | -0.877 | 29.483 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | LEU | 0 | -0.025 | -0.006 | 25.460 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | LEU | 0 | -0.021 | -0.009 | 23.330 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | GLY | 0 | 0.006 | 0.009 | 27.029 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | ARG | 1 | 0.877 | 0.908 | 30.203 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | LEU | 0 | -0.013 | -0.008 | 23.613 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | ALA | 0 | -0.048 | -0.025 | 27.610 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | GLU | -1 | -0.946 | -0.971 | 29.399 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | LEU | 0 | -0.054 | -0.028 | 28.962 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | ALA | 0 | -0.044 | -0.016 | 26.496 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | PRO | 0 | 0.028 | 0.028 | 28.129 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | ARG | 1 | 0.763 | 0.829 | 26.203 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | HIS | 0 | 0.003 | 0.006 | 29.549 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | ARG | 1 | 0.934 | 0.953 | 31.061 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | PRO | 0 | 0.021 | 0.010 | 33.269 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | GLN | 0 | -0.004 | 0.000 | 34.598 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | ASP | -1 | -0.810 | -0.876 | 29.280 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | ARG | 1 | 0.911 | 0.943 | 30.217 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | HIS | 1 | 0.791 | 0.907 | 22.467 | -0.352 | -0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | LEU | 0 | 0.041 | 0.008 | 27.442 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | GLU | -1 | -0.845 | -0.921 | 23.834 | 0.368 | 0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | GLY | 0 | 0.004 | 0.016 | 25.566 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | ASN | 0 | 0.021 | -0.004 | 20.356 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | SER | 0 | -0.016 | -0.041 | 22.767 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | HIS | 0 | 0.019 | 0.019 | 23.774 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | ALA | 0 | 0.016 | 0.021 | 20.137 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | HIS | 0 | -0.028 | -0.013 | 19.295 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | LEU | 0 | -0.020 | -0.001 | 20.718 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | LYS | 1 | 0.848 | 0.922 | 21.909 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | SER | 0 | -0.059 | -0.016 | 15.945 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | LEU | 0 | -0.025 | -0.019 | 18.398 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | LEU | 0 | -0.033 | -0.025 | 20.113 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | THR | 0 | -0.080 | -0.033 | 18.047 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | GLY | 0 | 0.018 | 0.024 | 17.230 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | VAL | 0 | 0.023 | -0.005 | 12.103 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | HIS | 0 | -0.039 | -0.026 | 11.233 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | LEU | 0 | 0.004 | 0.013 | 12.381 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | LEU | 0 | -0.002 | -0.004 | 13.143 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | LEU | 0 | -0.004 | 0.006 | 15.433 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | LEU | 0 | 0.031 | 0.011 | 16.882 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | ALA | 0 | 0.008 | 0.001 | 16.912 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | GLU | -1 | -0.806 | -0.884 | 18.951 | -0.365 | -0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | LYS | 1 | 0.874 | 0.927 | 21.638 | 0.412 | 0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | GLY | 0 | -0.006 | -0.002 | 17.733 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | ARG | 1 | 0.897 | 0.960 | 18.237 | 0.464 | 0.464 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | LEU | 0 | 0.030 | 0.004 | 15.708 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | ARG | 1 | 0.758 | 0.867 | 19.587 | 0.414 | 0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | LEU | 0 | 0.025 | 0.022 | 19.836 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | GLY | 0 | 0.025 | 0.006 | 23.806 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | ARG | 1 | 0.898 | 0.936 | 26.729 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | TRP | 0 | 0.030 | 0.015 | 28.608 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | GLN | 0 | 0.059 | 0.038 | 23.283 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | GLN | 0 | -0.009 | 0.007 | 21.180 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | VAL | 0 | 0.022 | 0.008 | 14.858 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | PHE | 0 | -0.006 | -0.013 | 17.633 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | LEU | 0 | 0.016 | 0.007 | 11.973 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | ALA | 0 | -0.015 | -0.003 | 15.373 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | GLU | -1 | -0.689 | -0.792 | 16.798 | 0.321 | 0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | PHE | 0 | 0.003 | -0.019 | 18.233 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | ASP | -1 | -0.783 | -0.858 | 18.655 | 0.402 | 0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | GLY | 0 | 0.010 | 0.047 | 18.913 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | PRO | 0 | -0.022 | -0.008 | 20.119 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | ARG | 1 | 0.836 | 0.886 | 15.393 | -0.427 | -0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | VAL | 0 | 0.000 | -0.002 | 11.781 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | ARG | 1 | 0.750 | 0.856 | 11.267 | -0.275 | -0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | GLU | -1 | -0.770 | -0.876 | 4.850 | 2.981 | 3.127 | -0.001 | -0.004 | -0.141 | 0.000 |
124 | A | 124 | VAL | 0 | -0.018 | -0.023 | 7.121 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | TRP | 0 | -0.063 | -0.044 | 2.776 | -4.079 | -1.642 | 1.778 | -0.737 | -3.477 | -0.008 |
126 | A | 126 | VAL | 0 | -0.003 | -0.009 | 4.723 | 0.688 | 0.772 | -0.001 | -0.007 | -0.075 | 0.000 |
127 | A | 127 | ARG | 1 | 0.921 | 0.958 | 6.075 | 0.830 | 0.830 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | LEU | 0 | 0.053 | 0.033 | 7.944 | 0.414 | 0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | LEU | 0 | -0.013 | -0.003 | 11.378 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |