![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 6YGYZ
Calculation Name: 1M4J-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1M4J
Chain ID: A
UniProt ID: Q91YR1
Base Structure: X-ray
Registration Date: 2023-09-22
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 | 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 | 133 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -1256767.58963 |
---|---|
FMO2-HF: Nuclear repulsion | 1203474.309738 |
FMO2-HF: Total energy | -53293.279892 |
FMO2-MP2: Total energy | -53450.733013 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F033872/ligand_interaction/ligand_F033872.png)
Ligand Interaction
![ligand interaction](./Kdata/F033872/ligand_interaction/ligand_interaction_F033872.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:7:ILE)
Summations of interaction energy for
fragment #1(A:7:ILE)
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. |
-3.039 | 2.356 | 0.994 | -2.471 | -3.918 | -0.008 |
Interaction energy analysis for fragmet #1(A:7:ILE)
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 | ALA | 0 | -0.027 | -0.026 | 3.806 | 0.942 | 2.850 | -0.028 | -0.949 | -0.932 | 0.003 |
4 | A | 10 | SER | 0 | 0.047 | 0.032 | 7.101 | -0.348 | -0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 11 | GLU | -1 | -0.855 | -0.960 | 9.170 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 12 | ASP | -1 | -0.921 | -0.943 | 12.523 | 0.456 | 0.456 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 13 | VAL | 0 | -0.054 | -0.026 | 9.627 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 14 | LYS | 1 | 0.859 | 0.924 | 9.613 | -0.460 | -0.460 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 15 | GLU | -1 | -0.820 | -0.886 | 13.797 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 16 | ILE | 0 | 0.031 | 0.007 | 15.267 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 17 | PHE | 0 | -0.018 | -0.018 | 10.410 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 18 | ALA | 0 | -0.011 | 0.004 | 16.134 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 19 | ARG | 1 | 0.813 | 0.890 | 19.242 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 20 | ALA | 0 | 0.014 | 0.008 | 18.485 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 21 | ARG | 1 | 0.954 | 0.984 | 15.723 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 22 | ASN | 0 | -0.080 | -0.030 | 21.234 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 23 | GLY | 0 | 0.054 | 0.010 | 23.655 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 24 | LYS | 1 | 0.849 | 0.934 | 23.677 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 25 | TYR | 0 | -0.004 | 0.000 | 20.585 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 26 | ARG | 1 | 0.728 | 0.868 | 22.961 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 27 | LEU | 0 | 0.008 | 0.006 | 19.040 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 28 | LEU | 0 | -0.011 | -0.002 | 15.196 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 29 | LYS | 1 | 0.907 | 0.955 | 14.821 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 30 | ILE | 0 | -0.042 | -0.027 | 8.866 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 31 | SER | 0 | 0.002 | -0.012 | 10.200 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 32 | ILE | 0 | -0.029 | -0.015 | 4.842 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 33 | GLU | -1 | -0.941 | -0.970 | 7.400 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 34 | ASN | 0 | -0.042 | -0.028 | 7.501 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 35 | GLU | -1 | -0.967 | -0.983 | 3.255 | -2.162 | -1.607 | 0.012 | -0.114 | -0.453 | 0.000 |
30 | A | 36 | GLN | 0 | 0.015 | 0.010 | 2.707 | 0.627 | 2.161 | 0.939 | -1.101 | -1.372 | -0.010 |
31 | A | 37 | LEU | 0 | -0.043 | -0.014 | 3.936 | -1.946 | -1.695 | 0.001 | -0.029 | -0.222 | 0.000 |
32 | A | 38 | VAL | 0 | 0.051 | 0.020 | 6.276 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 39 | VAL | 0 | 0.010 | -0.011 | 10.044 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 40 | GLY | 0 | -0.004 | 0.011 | 13.268 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 41 | SER | 0 | -0.008 | -0.010 | 15.440 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 42 | CYS | 0 | 0.001 | -0.002 | 17.667 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 43 | SER | 0 | 0.002 | 0.013 | 20.039 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 44 | PRO | 0 | 0.018 | 0.012 | 23.524 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 45 | PRO | 0 | -0.041 | -0.027 | 25.909 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 46 | SER | 0 | -0.071 | -0.016 | 27.981 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 47 | ASP | -1 | -0.901 | -0.950 | 31.258 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 48 | SER | 0 | -0.037 | -0.021 | 31.463 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 49 | TRP | 0 | 0.023 | -0.016 | 27.104 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 50 | GLU | -1 | -0.874 | -0.932 | 28.507 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 51 | GLN | 0 | -0.017 | -0.006 | 30.811 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 52 | ASP | -1 | -0.669 | -0.816 | 27.478 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 53 | TYR | 0 | -0.053 | -0.058 | 23.371 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 54 | ASP | -1 | -0.788 | -0.933 | 25.913 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 55 | SER | 0 | -0.030 | -0.026 | 27.243 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 56 | PHE | 0 | -0.019 | -0.015 | 24.094 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 57 | VAL | 0 | -0.002 | -0.008 | 20.946 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 58 | LEU | 0 | -0.046 | 0.022 | 22.156 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 59 | PRO | 0 | -0.038 | -0.020 | 23.841 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 60 | LEU | 0 | -0.006 | 0.017 | 19.532 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 61 | LEU | 0 | -0.034 | -0.012 | 18.472 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 62 | GLU | -1 | -0.914 | -0.954 | 17.855 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 63 | ASP | -1 | -0.867 | -0.946 | 19.999 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 64 | LYS | 1 | 0.861 | 0.922 | 19.899 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 65 | GLN | 0 | -0.013 | -0.016 | 12.904 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 66 | PRO | 0 | -0.043 | -0.025 | 12.319 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 67 | CYS | 0 | -0.069 | -0.013 | 12.014 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 68 | TYR | 0 | 0.001 | -0.036 | 7.163 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 69 | VAL | 0 | 0.019 | 0.008 | 12.806 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 70 | LEU | 0 | -0.018 | 0.007 | 13.010 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 71 | PHE | 0 | 0.042 | 0.003 | 16.684 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 72 | ARG | 1 | 0.863 | 0.948 | 20.488 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 73 | LEU | 0 | 0.031 | 0.025 | 22.694 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 74 | ASP | -1 | -0.780 | -0.909 | 25.866 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 75 | SER | 0 | -0.072 | -0.046 | 27.886 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 76 | GLN | 0 | -0.011 | -0.025 | 27.107 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 77 | ASN | 0 | 0.057 | 0.041 | 23.299 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 78 | ALA | 0 | -0.012 | -0.029 | 27.500 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 79 | GLN | 0 | -0.072 | -0.034 | 20.407 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 80 | GLY | 0 | 0.046 | 0.037 | 24.145 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 81 | TYR | 0 | -0.046 | -0.024 | 23.844 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 82 | GLU | -1 | -0.861 | -0.897 | 22.966 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 83 | TRP | 0 | -0.027 | -0.027 | 19.022 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 84 | ILE | 0 | 0.008 | 0.022 | 20.016 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 85 | PHE | 0 | -0.051 | -0.042 | 10.574 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 86 | ILE | 0 | 0.018 | 0.013 | 16.526 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 87 | ALA | 0 | -0.029 | -0.022 | 13.671 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 88 | TRP | 0 | 0.009 | 0.003 | 14.612 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 89 | SER | 0 | -0.036 | -0.046 | 14.067 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 90 | PRO | 0 | 0.036 | 0.048 | 16.153 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 91 | ASP | -1 | -0.842 | -0.930 | 18.383 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 92 | HIS | 0 | -0.026 | -0.009 | 20.759 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 93 | SER | 0 | 0.017 | 0.019 | 15.716 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 94 | HIS | 0 | 0.050 | 0.012 | 14.856 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 95 | VAL | 0 | 0.060 | 0.014 | 14.416 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 96 | ARG | 1 | 0.986 | 0.994 | 10.120 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 97 | GLN | 0 | 0.055 | 0.047 | 9.892 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 98 | LYS | 1 | 0.878 | 0.941 | 10.324 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 99 | MET | 0 | -0.052 | -0.025 | 9.902 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 100 | LEU | 0 | 0.027 | 0.021 | 4.368 | -0.123 | -0.010 | -0.001 | -0.009 | -0.103 | 0.000 |
95 | A | 101 | TYR | 0 | 0.073 | 0.049 | 6.034 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 102 | ALA | 0 | 0.001 | 0.027 | 8.432 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 103 | ALA | 0 | -0.045 | -0.023 | 6.014 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 104 | THR | 0 | -0.007 | -0.002 | 3.153 | -0.870 | -0.200 | 0.068 | -0.187 | -0.551 | -0.001 |
99 | A | 105 | ARG | 1 | 0.879 | 0.938 | 5.541 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 106 | ALA | 0 | 0.001 | -0.011 | 8.303 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 107 | THR | 0 | 0.010 | 0.010 | 3.476 | -0.085 | 0.279 | 0.003 | -0.082 | -0.285 | 0.000 |
102 | A | 108 | LEU | 0 | 0.057 | 0.039 | 6.411 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 109 | LYS | 1 | 0.915 | 0.961 | 8.007 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 110 | LYS | 1 | 0.913 | 0.958 | 8.750 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 111 | GLU | -1 | -0.812 | -0.897 | 6.983 | 0.422 | 0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 112 | PHE | 0 | -0.027 | -0.004 | 10.340 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 113 | GLY | 0 | 0.021 | 0.008 | 13.112 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 114 | GLY | 0 | -0.007 | -0.027 | 14.969 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 115 | GLY | 0 | 0.003 | 0.011 | 16.186 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 116 | HIS | 0 | -0.031 | -0.014 | 17.668 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 117 | ILE | 0 | -0.064 | -0.030 | 15.576 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 118 | LYS | 1 | 0.909 | 0.969 | 19.027 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 119 | ASP | -1 | -0.805 | -0.880 | 21.234 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 120 | GLU | -1 | -0.836 | -0.916 | 15.568 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 121 | VAL | 0 | 0.018 | 0.017 | 18.349 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 122 | PHE | 0 | -0.022 | -0.014 | 15.236 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 123 | GLY | 0 | 0.033 | 0.010 | 18.243 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 124 | THR | 0 | -0.070 | -0.018 | 18.820 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 125 | VAL | 0 | 0.043 | 0.017 | 20.866 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 126 | LYS | 1 | 0.966 | 0.964 | 23.756 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 127 | GLU | -1 | -0.984 | -0.980 | 24.886 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 128 | ASP | -1 | -0.797 | -0.903 | 22.989 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 129 | VAL | 0 | -0.060 | -0.039 | 20.021 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 130 | SER | 0 | 0.038 | 0.050 | 23.334 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 131 | LEU | 0 | 0.010 | 0.000 | 26.328 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 132 | HIS | 0 | -0.037 | -0.023 | 28.137 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 133 | GLY | 0 | 0.083 | 0.038 | 26.975 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 134 | TYR | 0 | -0.065 | -0.057 | 23.921 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 135 | LYS | 1 | 0.858 | 0.904 | 26.266 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 136 | LYS | 1 | 0.950 | 0.974 | 28.848 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 137 | TYR | 0 | -0.063 | -0.025 | 22.410 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 138 | LEU | 0 | -0.053 | -0.024 | 26.475 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 139 | LEU | 0 | -0.079 | -0.010 | 28.630 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |