![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: GNL11
Calculation Name: 3MXQ-A-Xray320
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3MXQ
Chain ID: A
UniProt ID: Q9KT21
Base Structure: X-ray
Registration Date: 2021-09-07
Reference: C. Watanabe, S. Koyama, K. Kamisaka, D. Takaya, T. Honma et. al., Interaction energy analysis of Apo structure dataset on FMODB, To be pubulished.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 1.20200129 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 130 |
LigandCharge | |
Software | ABINIT-MP - Open Ver.1 Rev. 15 / 20190524 |
Total energy (hartree)
FMO2-HF: Electronic energy | -1066480.406118 |
---|---|
FMO2-HF: Nuclear repulsion | 1014508.664374 |
FMO2-HF: Total energy | -51971.741744 |
FMO2-MP2: Total energy | -52121.618606 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F016336/ligand_interaction/ligand_F016336.png)
Ligand Interaction
![ligand interaction](./Kdata/F016336/ligand_interaction/ligand_interaction_F016336.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:-5:ACE )
Summations of interaction energy for
fragment #1(A:-5:ACE )
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. |
0.375 | 1.758 | 0.327 | -0.79 | -0.921 | -0.003 |
Interaction energy analysis for fragmet #1(A:-5:ACE )
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 | GLN | 0 | 0.057 | 0.019 | 3.849 | 1.195 | 2.016 | -0.006 | -0.389 | -0.427 | 0.000 |
4 | A | -2 | SER | 0 | 0.000 | -0.004 | 5.535 | 0.397 | 0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | -1 | ASN | 0 | 0.026 | 0.001 | 3.035 | -1.079 | -0.517 | 0.333 | -0.401 | -0.494 | -0.003 |
6 | A | 0 | ALA | 0 | 0.024 | 0.022 | 5.839 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 1 | MET | 0 | 0.002 | 0.006 | 8.246 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 2 | ALA | 0 | 0.021 | 0.013 | 8.705 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 3 | LYS | 1 | 0.952 | 0.972 | 7.678 | -0.741 | -0.741 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 4 | SER | 0 | -0.003 | 0.018 | 11.171 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 5 | ARG | 1 | 0.947 | 0.960 | 13.661 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 6 | LEU | 0 | 0.032 | 0.007 | 12.219 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 7 | LEU | 0 | -0.001 | 0.022 | 15.176 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 8 | LEU | 0 | -0.006 | -0.009 | 16.856 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 9 | SER | 0 | -0.014 | -0.023 | 18.721 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 10 | GLU | -1 | -0.905 | -0.939 | 19.479 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 11 | LEU | 0 | -0.037 | -0.026 | 20.876 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 12 | LEU | 0 | -0.056 | -0.039 | 23.002 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 13 | ASP | -1 | -0.896 | -0.939 | 24.129 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 14 | GLN | 0 | -0.050 | -0.026 | 24.134 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 15 | LEU | 0 | -0.054 | -0.026 | 26.538 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 16 | SER | 0 | -0.075 | -0.006 | 29.156 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 17 | PHE | 0 | 0.010 | 0.002 | 30.975 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 18 | ALA | 0 | -0.028 | -0.010 | 34.654 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 19 | LEU | 0 | 0.031 | 0.006 | 37.716 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 20 | CYS | 0 | -0.019 | -0.007 | 40.177 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 21 | ILE | 0 | -0.002 | 0.005 | 43.732 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 22 | VAL | 0 | -0.011 | -0.018 | 46.638 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 23 | ARG | 1 | 0.928 | 0.947 | 50.136 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 24 | ASN | 0 | -0.012 | -0.008 | 53.547 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 25 | ASP | -1 | -0.786 | -0.871 | 56.055 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 26 | TYR | 0 | -0.092 | -0.112 | 53.540 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 27 | VAL | 0 | -0.038 | 0.007 | 52.793 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 28 | ILE | 0 | 0.031 | 0.006 | 46.861 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 29 | VAL | 0 | -0.024 | 0.003 | 48.489 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 30 | LYS | 1 | 0.991 | 0.991 | 40.720 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 31 | VAL | 0 | -0.008 | -0.004 | 41.250 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 32 | ASN | 0 | -0.054 | -0.010 | 36.210 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 33 | GLU | -1 | -0.855 | -0.923 | 33.430 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 34 | TYR | 0 | 0.035 | -0.003 | 30.987 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 35 | PHE | 0 | -0.019 | -0.019 | 34.982 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 36 | GLU | -1 | -0.826 | -0.919 | 38.247 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 37 | SER | 0 | -0.066 | -0.021 | 34.360 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 38 | ARG | 1 | 0.779 | 0.881 | 33.953 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 39 | VAL | 0 | -0.039 | -0.017 | 37.618 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 40 | ILE | 0 | -0.013 | -0.013 | 40.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 41 | PHE | 0 | -0.056 | -0.027 | 43.251 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 42 | ASP | -1 | -0.793 | -0.897 | 41.893 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 43 | GLY | 0 | 0.011 | -0.020 | 41.862 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 44 | GLU | -1 | -0.960 | -0.967 | 43.395 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 45 | THR | 0 | -0.084 | -0.038 | 46.041 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 46 | MET | 0 | -0.049 | -0.032 | 44.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 47 | GLN | 0 | -0.057 | -0.027 | 47.134 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 48 | GLY | 0 | -0.027 | -0.012 | 49.059 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 49 | LYS | 1 | 0.887 | 0.944 | 51.292 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 50 | ASN | 0 | 0.070 | 0.046 | 52.034 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 51 | ILE | 0 | 0.048 | 0.013 | 48.300 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 52 | LEU | 0 | -0.076 | -0.036 | 51.038 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 53 | GLU | -1 | -0.954 | -0.982 | 53.664 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 54 | LEU | 0 | -0.041 | -0.010 | 48.616 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 55 | PHE | 0 | 0.020 | 0.001 | 45.093 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 56 | PRO | 0 | 0.086 | 0.048 | 50.065 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 57 | GLU | -1 | -0.988 | -0.995 | 50.249 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 58 | SER | 0 | -0.033 | -0.025 | 48.511 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 59 | ALA | 0 | -0.034 | -0.012 | 50.844 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 60 | ASP | -1 | -0.874 | -0.938 | 53.548 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 61 | TYR | 0 | -0.107 | -0.049 | 47.350 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 62 | LEU | 0 | 0.073 | 0.012 | 47.732 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 63 | LYS | 1 | 0.916 | 0.978 | 51.270 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 64 | ARG | 1 | 0.960 | 0.992 | 54.280 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 65 | LYS | 1 | 0.880 | 0.973 | 48.396 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 66 | ILE | 0 | 0.028 | 0.006 | 50.481 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 67 | ASP | -1 | -0.764 | -0.855 | 52.667 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 68 | THR | 0 | -0.068 | -0.057 | 53.290 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 69 | ALA | 0 | -0.003 | 0.007 | 51.322 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 70 | LEU | 0 | -0.029 | -0.018 | 53.320 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 71 | VAL | 0 | -0.058 | -0.022 | 56.315 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 72 | ILE | 0 | -0.092 | -0.045 | 53.308 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 73 | GLU | -1 | -0.927 | -0.955 | 55.354 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 74 | SER | 0 | 0.003 | -0.005 | 50.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 75 | SER | 0 | -0.040 | -0.016 | 46.021 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 76 | SER | 0 | -0.067 | -0.030 | 47.422 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 77 | PHE | 0 | 0.052 | 0.009 | 38.719 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 78 | SER | 0 | -0.009 | -0.002 | 44.181 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 79 | SER | 0 | 0.053 | 0.034 | 42.090 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 80 | TRP | 0 | -0.027 | -0.028 | 42.726 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 81 | GLU | -1 | -0.894 | -0.960 | 44.628 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 82 | GLN | 0 | -0.089 | -0.032 | 47.600 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 83 | LYS | 1 | 0.933 | 0.952 | 47.134 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 84 | PRO | 0 | 0.024 | 0.023 | 46.460 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 85 | HIS | 0 | -0.008 | -0.009 | 41.911 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 86 | LEU | 0 | 0.010 | 0.013 | 43.599 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 87 | LEU | 0 | 0.005 | -0.001 | 38.881 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 88 | PRO | 0 | 0.016 | 0.013 | 37.687 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 89 | PHE | 0 | -0.085 | -0.027 | 30.125 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 90 | NME | 0 | -0.012 | -0.003 | 35.295 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 99 | ACE | 0 | -0.017 | -0.022 | 34.266 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 100 | GLU | -1 | -0.937 | -0.979 | 28.681 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 101 | GLN | 0 | -0.013 | 0.010 | 33.147 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 102 | MET | 0 | 0.026 | 0.017 | 31.305 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 103 | TYR | 0 | -0.040 | -0.011 | 35.636 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 104 | GLN | 0 | 0.038 | 0.019 | 37.025 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 105 | ASN | 0 | -0.003 | -0.004 | 37.586 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 106 | LEU | 0 | -0.030 | -0.009 | 40.308 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 107 | GLU | -1 | -0.906 | -0.949 | 40.600 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 108 | VAL | 0 | -0.038 | -0.014 | 43.545 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 109 | ILE | 0 | 0.036 | 0.002 | 42.758 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 110 | PRO | 0 | 0.011 | 0.029 | 47.262 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 111 | ILE | 0 | -0.024 | -0.025 | 46.807 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 112 | HIS | 0 | -0.028 | -0.019 | 50.828 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 113 | SER | 0 | -0.033 | -0.023 | 53.239 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 114 | GLU | -1 | -0.957 | -0.977 | 55.667 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 115 | ASP | -1 | -0.940 | -0.953 | 57.181 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 116 | GLY | 0 | 0.033 | 0.022 | 57.943 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 117 | THR | 0 | -0.041 | -0.046 | 57.612 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 118 | ILE | 0 | -0.033 | 0.007 | 53.583 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 119 | GLU | -1 | -0.923 | -0.961 | 55.037 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 120 | HIS | 0 | -0.019 | -0.022 | 50.418 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 121 | VAL | 0 | -0.012 | -0.003 | 48.846 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 122 | CYS | 0 | -0.025 | -0.007 | 43.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 123 | LEU | 0 | -0.019 | -0.008 | 44.515 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 124 | CYS | 0 | 0.008 | 0.008 | 39.209 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 125 | VAL | 0 | -0.003 | -0.004 | 38.926 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 126 | TYR | 0 | 0.001 | -0.011 | 34.911 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 127 | ASP | -1 | -0.723 | -0.858 | 33.417 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 128 | VAL | 0 | -0.010 | -0.004 | 33.053 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 129 | THR | 0 | 0.014 | -0.011 | 30.083 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 130 | ILE | 0 | -0.035 | -0.016 | 31.574 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 131 | GLN | 0 | -0.092 | -0.042 | 30.100 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 132 | NME | 0 | 0.033 | 0.024 | 28.331 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |