FMODB ID: YZ192
Calculation Name: 2F3L-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2F3L
Chain ID: A
UniProt ID: B1WVN5
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 | 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 | 131 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -1102094.481275 |
---|---|
FMO2-HF: Nuclear repulsion | 1052283.44937 |
FMO2-HF: Total energy | -49811.031906 |
FMO2-MP2: Total energy | -49955.52001 |
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:7:ALA)
Summations of interaction energy for
fragment #1(A:7:ALA)
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. |
-5.566 | 0.266 | 1.234 | -2.717 | -4.348 | -0.004 |
Interaction energy analysis for fragmet #1(A:7:ALA)
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 | 9 | TYR | 0 | -0.026 | -0.013 | 2.633 | -2.046 | 1.704 | 0.612 | -2.023 | -2.339 | -0.002 |
4 | A | 10 | GLU | -1 | -0.902 | -0.969 | 6.287 | -1.321 | -1.321 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 11 | ASP | -1 | -0.875 | -0.913 | 10.041 | -0.359 | -0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 12 | VAL | 0 | -0.054 | -0.014 | 8.407 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 13 | LYS | 1 | 0.814 | 0.882 | 11.685 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 14 | LEU | 0 | -0.019 | -0.005 | 7.293 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 15 | ILE | 0 | -0.029 | -0.022 | 11.877 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 16 | GLY | 0 | -0.007 | 0.007 | 15.290 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 17 | GLU | -1 | -0.954 | -0.960 | 10.174 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 18 | ASP | -1 | -0.813 | -0.886 | 12.864 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 19 | PHE | 0 | -0.062 | -0.039 | 5.618 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 20 | SER | 0 | -0.012 | -0.023 | 10.324 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 21 | GLY | 0 | -0.018 | -0.001 | 12.890 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 22 | LYS | 1 | 0.793 | 0.901 | 7.772 | -0.309 | -0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 23 | SER | 0 | -0.023 | -0.015 | 7.755 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 24 | LEU | 0 | -0.019 | -0.022 | 2.890 | 0.137 | 0.629 | 0.149 | -0.127 | -0.514 | 0.000 |
19 | A | 25 | THR | 0 | 0.029 | 0.011 | 4.935 | -0.795 | -0.775 | -0.001 | -0.003 | -0.016 | 0.000 |
20 | A | 26 | TYR | 0 | -0.086 | -0.037 | 3.979 | -0.502 | -0.284 | -0.001 | -0.058 | -0.159 | 0.000 |
21 | A | 27 | ALA | 0 | -0.014 | 0.020 | 2.651 | -2.309 | -1.453 | 0.466 | -0.455 | -0.867 | -0.001 |
22 | A | 28 | GLN | 0 | -0.026 | -0.007 | 3.591 | 2.055 | 2.551 | 0.009 | -0.051 | -0.453 | -0.001 |
23 | A | 29 | PHE | 0 | 0.013 | 0.004 | 5.391 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 30 | THR | 0 | 0.023 | 0.000 | 8.116 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 31 | ASN | 0 | -0.086 | -0.054 | 11.244 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 32 | ALA | 0 | 0.001 | 0.011 | 9.949 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 33 | ASP | -1 | -0.810 | -0.891 | 11.939 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 34 | LEU | 0 | 0.001 | -0.017 | 9.184 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 35 | THR | 0 | -0.034 | -0.037 | 13.059 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 36 | ASP | -1 | -0.908 | -0.961 | 16.258 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 37 | SER | 0 | -0.033 | 0.003 | 12.311 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 38 | ASN | 0 | -0.018 | 0.007 | 13.710 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 39 | PHE | 0 | -0.009 | -0.024 | 7.424 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 40 | SER | 0 | -0.001 | -0.012 | 12.403 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 41 | GLU | -1 | -0.844 | -0.942 | 14.616 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 42 | ALA | 0 | -0.034 | 0.012 | 9.547 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 43 | ASP | -1 | -0.836 | -0.890 | 9.791 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 44 | LEU | 0 | -0.014 | -0.016 | 6.411 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 45 | ARG | 1 | 0.881 | 0.920 | 8.778 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 46 | GLY | 0 | -0.029 | -0.016 | 8.663 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 47 | ALA | 0 | -0.040 | -0.006 | 7.202 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 48 | VAL | 0 | -0.018 | -0.017 | 7.619 | 0.360 | 0.360 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 49 | PHE | 0 | 0.013 | 0.006 | 8.733 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 50 | ASN | 0 | 0.009 | -0.010 | 11.220 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 51 | GLY | 0 | 0.032 | 0.008 | 13.589 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 52 | SER | 0 | -0.003 | 0.015 | 12.021 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 53 | ALA | 0 | -0.022 | -0.024 | 14.286 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 54 | LEU | 0 | 0.002 | 0.010 | 11.852 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 55 | ILE | 0 | -0.017 | -0.019 | 15.630 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 56 | GLY | 0 | 0.051 | 0.029 | 18.757 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 57 | ALA | 0 | -0.027 | 0.010 | 14.802 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 58 | ASP | -1 | -0.851 | -0.933 | 16.354 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 59 | LEU | 0 | -0.023 | -0.030 | 12.798 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 60 | HIS | 0 | 0.010 | 0.011 | 15.836 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 61 | GLY | 0 | 0.011 | 0.000 | 17.564 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 62 | ALA | 0 | -0.013 | 0.015 | 12.944 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 63 | ASP | -1 | -0.848 | -0.913 | 13.257 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 64 | LEU | 0 | -0.021 | -0.029 | 11.610 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 65 | THR | 0 | -0.019 | -0.028 | 13.320 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 66 | ASN | 0 | -0.084 | -0.060 | 13.360 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 67 | GLY | 0 | 0.036 | 0.042 | 11.990 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 68 | LEU | 0 | -0.049 | -0.031 | 12.214 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 69 | ALA | 0 | 0.008 | 0.003 | 12.671 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 70 | TYR | 0 | 0.003 | -0.005 | 14.997 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 71 | LEU | 0 | -0.030 | -0.021 | 16.618 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 72 | THR | 0 | 0.018 | 0.027 | 14.421 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 73 | SER | 0 | -0.049 | -0.025 | 17.219 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 74 | PHE | 0 | 0.070 | 0.019 | 14.215 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 75 | LYS | 1 | 0.835 | 0.895 | 18.942 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 76 | GLY | 0 | 0.025 | 0.009 | 21.443 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 77 | ALA | 0 | -0.017 | 0.018 | 18.103 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 78 | ASP | -1 | -0.801 | -0.882 | 19.324 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 79 | LEU | 0 | 0.027 | 0.001 | 16.588 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 80 | THR | 0 | -0.023 | -0.026 | 19.884 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 81 | ASN | 0 | -0.042 | -0.042 | 20.979 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 82 | ALA | 0 | -0.007 | 0.028 | 17.087 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 83 | VAL | 0 | 0.001 | -0.012 | 17.321 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 84 | LEU | 0 | -0.018 | -0.013 | 16.571 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 85 | THR | 0 | 0.044 | 0.016 | 18.026 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 86 | GLU | -1 | -0.936 | -0.977 | 18.089 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 87 | ALA | 0 | -0.009 | 0.027 | 16.517 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 88 | ILE | 0 | -0.029 | -0.016 | 16.903 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 89 | MET | 0 | -0.035 | -0.015 | 16.369 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 90 | MET | 0 | 0.044 | 0.026 | 18.832 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 91 | ARG | 1 | 0.850 | 0.914 | 20.177 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 92 | THR | 0 | -0.032 | -0.013 | 18.046 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 93 | LYS | 1 | 0.925 | 0.978 | 20.682 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 94 | PHE | 0 | 0.063 | 0.016 | 18.801 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 95 | ASP | -1 | -0.852 | -0.918 | 23.016 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 96 | ASP | -1 | -0.918 | -0.969 | 24.864 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 97 | ALA | 0 | -0.026 | 0.020 | 21.938 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 98 | LYS | 1 | 0.864 | 0.931 | 23.318 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 99 | ILE | 0 | 0.040 | 0.006 | 22.751 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 100 | THR | 0 | -0.031 | -0.023 | 24.488 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 101 | GLY | 0 | 0.036 | 0.021 | 25.169 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 102 | ALA | 0 | -0.012 | 0.010 | 21.714 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 103 | ASP | -1 | -0.756 | -0.825 | 21.633 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 104 | PHE | 0 | 0.038 | -0.007 | 21.053 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 105 | SER | 0 | 0.018 | -0.022 | 22.993 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 106 | LEU | 0 | -0.071 | -0.039 | 22.783 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 107 | ALA | 0 | 0.020 | 0.037 | 20.888 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 108 | VAL | 0 | -0.088 | -0.047 | 21.506 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 109 | LEU | 0 | 0.013 | 0.009 | 21.059 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 110 | ASP | -1 | -0.839 | -0.922 | 23.822 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 111 | VAL | 0 | 0.019 | -0.006 | 26.204 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 112 | TYR | 0 | -0.016 | -0.002 | 28.241 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 113 | GLU | -1 | -0.783 | -0.906 | 24.231 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 114 | VAL | 0 | 0.009 | 0.006 | 27.073 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 115 | ASP | -1 | -0.892 | -0.946 | 28.573 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 116 | LYS | 1 | 0.835 | 0.908 | 29.221 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 117 | LEU | 0 | -0.034 | -0.017 | 24.158 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 138 | CYS | 0 | -0.003 | 0.013 | 28.756 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 119 | ASP | -1 | -0.891 | -0.920 | 31.618 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 120 | ARG | 1 | 0.800 | 0.890 | 26.192 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 121 | ALA | 0 | -0.023 | 0.018 | 29.359 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 122 | ASP | -1 | -0.860 | -0.924 | 29.576 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 123 | GLY | 0 | 0.037 | 0.016 | 29.096 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 124 | VAL | 0 | -0.028 | -0.026 | 28.962 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 125 | ASN | 0 | 0.017 | 0.028 | 21.532 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 126 | PRO | 0 | -0.027 | -0.027 | 24.204 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 127 | LYS | 1 | 0.772 | 0.870 | 18.007 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 128 | THR | 0 | -0.030 | -0.030 | 22.281 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 129 | GLY | 0 | -0.035 | -0.010 | 24.976 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 130 | VAL | 0 | -0.034 | -0.007 | 26.280 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 131 | SER | 0 | -0.044 | -0.033 | 27.762 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 132 | THR | 0 | 0.041 | 0.001 | 26.016 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 133 | ARG | 1 | 0.871 | 0.931 | 27.990 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 134 | GLU | -1 | -0.860 | -0.927 | 31.016 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 135 | SER | 0 | -0.065 | -0.022 | 25.820 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 136 | LEU | 0 | -0.006 | -0.011 | 25.468 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 137 | ARG | 1 | 0.854 | 0.936 | 27.235 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |