FMODB ID: Z6Y3N
Calculation Name: 3UIY-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3UIY
Chain ID: A
UniProt ID: P12061
Base Structure: X-ray
Registration Date: 2023-06-21
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 | -1117155.787491 |
---|---|
FMO2-HF: Nuclear repulsion | 1066708.737321 |
FMO2-HF: Total energy | -50447.05017 |
FMO2-MP2: Total energy | -50596.66798 |
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:3:LEU)
Summations of interaction energy for
fragment #1(A:3:LEU)
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. |
-27.726 | -9.953 | 14.877 | -11.074 | -21.575 | -0.053 |
Interaction energy analysis for fragmet #1(A:3:LEU)
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 | 5 | LEU | 0 | 0.028 | 0.024 | 2.874 | -2.703 | 0.662 | 0.496 | -1.623 | -2.238 | -0.001 |
4 | A | 6 | MET | 0 | -0.025 | -0.005 | 4.591 | 0.092 | 0.135 | -0.001 | -0.009 | -0.032 | 0.000 |
5 | A | 7 | ILE | 0 | 0.026 | 0.003 | 8.315 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 8 | LYS | 1 | 0.897 | 0.946 | 11.162 | 0.322 | 0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 9 | ILE | 0 | 0.038 | 0.020 | 14.628 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 10 | ASN | 0 | -0.040 | -0.017 | 17.575 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 11 | GLU | -1 | -0.788 | -0.876 | 20.806 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 12 | ALA | 0 | -0.030 | -0.018 | 24.250 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 13 | VAL | 0 | -0.010 | -0.015 | 26.959 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 14 | PHE | 0 | -0.008 | -0.008 | 25.217 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 15 | TYR | 0 | 0.006 | -0.004 | 31.078 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 16 | ASP | -1 | -0.842 | -0.899 | 33.446 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 17 | ARG | 1 | 0.780 | 0.839 | 32.421 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 18 | ILE | 0 | -0.029 | -0.001 | 24.797 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 19 | THR | 0 | 0.070 | 0.031 | 27.466 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 20 | SER | 0 | -0.009 | -0.016 | 25.630 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 21 | ASN | 0 | -0.012 | -0.016 | 22.215 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 22 | LYS | 1 | 0.937 | 0.992 | 22.694 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 23 | ILE | 0 | 0.031 | 0.018 | 17.977 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 24 | ILE | 0 | -0.044 | -0.034 | 18.495 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 25 | GLY | 0 | -0.008 | -0.012 | 16.357 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 26 | THR | 0 | -0.038 | -0.019 | 12.915 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 27 | GLY | 0 | 0.000 | -0.002 | 9.278 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 28 | HIS | 0 | 0.009 | 0.028 | 7.406 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 29 | LEU | 0 | -0.020 | -0.019 | 2.556 | -1.059 | -0.399 | 0.388 | -0.170 | -0.878 | 0.000 |
28 | A | 30 | PHE | 0 | 0.013 | 0.004 | 3.042 | -0.046 | 0.488 | 0.024 | -0.152 | -0.406 | 0.000 |
29 | A | 31 | ASN | 0 | 0.019 | -0.011 | 2.370 | -6.067 | -3.155 | 2.796 | -2.756 | -2.952 | -0.029 |
30 | A | 32 | ARG | 1 | 0.801 | 0.863 | 2.204 | 1.096 | 3.456 | 3.991 | -2.126 | -4.226 | -0.016 |
31 | A | 33 | GLU | -1 | -0.865 | -0.914 | 3.908 | -0.036 | 0.120 | 0.008 | -0.076 | -0.089 | 0.000 |
32 | A | 34 | GLY | 0 | 0.016 | 0.008 | 7.165 | 0.506 | 0.506 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 35 | LYS | 1 | 0.801 | 0.913 | 2.403 | -13.952 | -12.668 | 0.898 | -0.751 | -1.431 | 0.008 |
34 | A | 36 | LYS | 1 | 0.891 | 0.951 | 6.638 | -0.648 | -0.648 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 37 | ILE | 0 | -0.018 | -0.007 | 2.476 | -0.792 | -0.049 | 0.505 | -0.206 | -1.043 | -0.001 |
36 | A | 38 | LEU | 0 | 0.026 | 0.019 | 5.700 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 39 | ILE | 0 | -0.001 | -0.004 | 5.139 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 40 | SER | 0 | -0.007 | -0.014 | 7.737 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 41 | SER | 0 | -0.022 | -0.039 | 9.748 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 42 | SER | 0 | 0.022 | 0.011 | 12.244 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 43 | LEU | 0 | -0.026 | 0.002 | 14.607 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 44 | GLU | -1 | -0.767 | -0.861 | 17.356 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 45 | LYS | 1 | 0.884 | 0.945 | 15.847 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 46 | ILE | 0 | -0.039 | -0.017 | 19.908 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 47 | LYS | 1 | 0.831 | 0.890 | 21.694 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 48 | ASN | 0 | -0.002 | 0.005 | 23.966 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 49 | THR | 0 | -0.006 | -0.012 | 20.070 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 50 | PRO | 0 | 0.060 | 0.041 | 16.918 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 51 | GLY | 0 | 0.029 | 0.018 | 14.229 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 52 | ALA | 0 | -0.009 | 0.005 | 15.190 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 53 | TYR | 0 | -0.017 | -0.018 | 13.441 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 54 | ILE | 0 | -0.047 | -0.023 | 18.820 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 55 | ILE | 0 | 0.007 | 0.021 | 18.356 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 56 | ARG | 1 | 0.813 | 0.875 | 21.481 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 57 | GLY | 0 | 0.014 | 0.013 | 24.301 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 58 | GLN | 0 | -0.044 | -0.035 | 22.850 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 59 | ASN | 0 | -0.056 | -0.034 | 26.696 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 60 | ASN | 0 | 0.029 | 0.006 | 30.032 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 61 | SER | 0 | 0.036 | 0.030 | 27.915 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 62 | ALA | 0 | 0.015 | 0.011 | 28.702 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 63 | HIS | 0 | -0.057 | -0.039 | 29.096 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 64 | LYS | 1 | 0.867 | 0.919 | 26.248 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 65 | LEU | 0 | 0.029 | 0.026 | 21.853 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 66 | ARG | 1 | 0.868 | 0.939 | 22.216 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 67 | ILE | 0 | 0.001 | 0.002 | 16.279 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 68 | ARG | 1 | 0.938 | 0.962 | 17.473 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 69 | ILE | 0 | -0.024 | 0.003 | 10.990 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 70 | GLY | 0 | 0.020 | 0.011 | 12.753 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 71 | GLY | 0 | 0.003 | -0.007 | 13.667 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 72 | GLU | -1 | -0.863 | -0.935 | 15.436 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 73 | ASP | -1 | -0.832 | -0.888 | 12.456 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 74 | TRP | 0 | -0.096 | -0.044 | 6.391 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 75 | GLN | 0 | 0.025 | 0.008 | 13.461 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 76 | PRO | 0 | -0.005 | -0.019 | 14.362 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 77 | ASP | -1 | -0.764 | -0.847 | 14.190 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 78 | ASN | 0 | -0.070 | -0.051 | 16.153 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 79 | SER | 0 | -0.014 | -0.024 | 15.769 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 80 | GLY | 0 | 0.006 | 0.005 | 18.098 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 81 | ILE | 0 | 0.008 | 0.005 | 12.167 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 82 | GLY | 0 | -0.013 | -0.024 | 11.855 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 83 | MET | 0 | -0.045 | 0.002 | 11.239 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 84 | VAL | 0 | 0.027 | 0.001 | 9.815 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 85 | SER | 0 | -0.003 | 0.009 | 8.711 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 86 | HIS | 0 | 0.029 | 0.001 | 9.291 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 87 | SER | 0 | 0.030 | 0.008 | 11.400 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 88 | ASP | -1 | -0.904 | -0.950 | 8.851 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 89 | PHE | 0 | 0.034 | 0.016 | 8.664 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 90 | THR | 0 | -0.047 | -0.021 | 8.337 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 91 | ASN | 0 | 0.014 | 0.003 | 7.437 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 92 | GLU | -1 | -0.838 | -0.899 | 8.121 | -0.618 | -0.618 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 93 | PHE | 0 | -0.023 | -0.009 | 6.571 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 94 | ASN | 0 | 0.043 | 0.010 | 11.189 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 95 | ILE | 0 | -0.013 | -0.007 | 11.717 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 96 | TYR | 0 | 0.007 | -0.010 | 15.416 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 97 | PHE | 0 | 0.046 | 0.026 | 18.951 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 98 | PHE | 0 | -0.019 | -0.019 | 21.236 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 99 | GLY | 0 | 0.012 | 0.007 | 23.318 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 100 | ASN | 0 | -0.045 | -0.033 | 26.834 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 101 | GLY | 0 | 0.051 | 0.035 | 29.748 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 102 | ASP | -1 | -0.798 | -0.879 | 29.536 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 103 | ILE | 0 | -0.034 | 0.003 | 25.466 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 104 | PRO | 0 | -0.021 | -0.006 | 28.981 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 105 | VAL | 0 | 0.024 | 0.021 | 29.347 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 106 | ASP | -1 | -0.704 | -0.822 | 27.780 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 107 | THR | 0 | -0.020 | -0.021 | 23.579 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 108 | TYR | 0 | -0.039 | -0.033 | 21.940 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 109 | LEU | 0 | 0.033 | 0.016 | 17.515 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 110 | ILE | 0 | 0.000 | -0.002 | 14.280 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 111 | SER | 0 | -0.006 | -0.011 | 13.416 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 112 | ILE | 0 | -0.003 | 0.004 | 8.225 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 113 | TYR | 0 | 0.013 | 0.001 | 6.439 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 114 | ALA | 0 | 0.041 | 0.023 | 2.798 | -0.811 | -0.127 | 0.455 | -0.291 | -0.848 | 0.000 |
113 | A | 115 | THR | 0 | -0.047 | -0.040 | 2.982 | -0.690 | 0.259 | 0.658 | -0.452 | -1.154 | -0.003 |
114 | A | 116 | GLU | -1 | -0.715 | -0.837 | 2.872 | 5.048 | 7.407 | 1.043 | -1.064 | -2.338 | -0.014 |
115 | A | 117 | ILE | 0 | -0.051 | -0.026 | 4.440 | -0.050 | -0.013 | 0.000 | -0.011 | -0.026 | 0.000 |
116 | A | 118 | GLU | -1 | -0.942 | -0.959 | 8.059 | 0.586 | 0.586 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 129 | LYS | 1 | 0.863 | 0.935 | 2.380 | -7.107 | -6.162 | 2.515 | -0.900 | -2.559 | 0.003 |
118 | A | 130 | ALA | 0 | -0.030 | -0.014 | 2.474 | -1.279 | -0.739 | 1.102 | -0.467 | -1.174 | 0.000 |
119 | A | 131 | VAL | 0 | 0.030 | 0.007 | 4.179 | -0.126 | 0.076 | -0.001 | -0.020 | -0.181 | 0.000 |
120 | A | 132 | VAL | 0 | -0.045 | -0.017 | 7.392 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 133 | GLN | 0 | 0.045 | 0.019 | 9.739 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 134 | ALA | 0 | 0.011 | 0.020 | 13.372 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 135 | ALA | 0 | 0.014 | 0.014 | 15.969 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 136 | VAL | 0 | -0.008 | -0.006 | 19.658 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 137 | THR | 0 | 0.030 | 0.008 | 21.348 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 138 | ILE | 0 | -0.018 | 0.015 | 24.557 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 139 | ALA | 0 | 0.034 | 0.002 | 27.662 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 140 | ALA | 0 | -0.001 | 0.003 | 30.946 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 141 | LYS | 1 | 0.853 | 0.911 | 29.173 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 142 | LEU | 0 | -0.004 | 0.009 | 35.661 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 143 | ASN | 0 | 0.014 | 0.015 | 37.643 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |