![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 76V5K
Calculation Name: 2LIS-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2LIS
Chain ID: A
UniProt ID: P04552
Base Structure: X-ray
Registration Date: 2023-09-23
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 | -1227657.858239 |
---|---|
FMO2-HF: Nuclear repulsion | 1172723.743606 |
FMO2-HF: Total energy | -54934.114633 |
FMO2-MP2: Total energy | -55093.444114 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F037214/ligand_interaction/ligand_F037214.png)
Ligand Interaction
![ligand interaction](./Kdata/F037214/ligand_interaction/ligand_interaction_F037214.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:4:HIS)
Summations of interaction energy for
fragment #1(A:4:HIS)
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. |
-0.294 | 1.499 | 0.016 | -0.858 | -0.951 | 0.002 |
Interaction energy analysis for fragmet #1(A:4:HIS)
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 | 6 | VAL | 0 | -0.019 | -0.010 | 3.431 | -1.615 | 0.178 | 0.016 | -0.858 | -0.951 | 0.002 |
4 | A | 7 | GLU | -1 | -0.884 | -0.931 | 5.880 | 1.618 | 1.618 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 8 | PRO | 0 | -0.032 | -0.012 | 8.706 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 9 | LYS | 1 | 0.913 | 0.936 | 11.387 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 10 | PHE | 0 | 0.042 | 0.019 | 14.682 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 11 | LEU | 0 | 0.012 | 0.010 | 18.144 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 12 | ASN | 0 | 0.005 | 0.019 | 17.685 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 13 | LYS | 1 | 0.917 | 0.933 | 16.693 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 14 | ALA | 0 | 0.044 | 0.012 | 18.648 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 15 | PHE | 0 | 0.033 | 0.012 | 21.530 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 16 | GLU | -1 | -0.739 | -0.830 | 20.127 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 17 | VAL | 0 | -0.020 | -0.014 | 21.608 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 18 | ALA | 0 | 0.011 | 0.007 | 24.176 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 19 | LEU | 0 | -0.012 | -0.004 | 25.781 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 20 | LYS | 1 | 0.790 | 0.876 | 22.358 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 21 | VAL | 0 | -0.015 | -0.004 | 27.401 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 22 | GLN | 0 | -0.027 | -0.016 | 29.822 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 23 | ILE | 0 | -0.018 | -0.005 | 30.293 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 24 | ILE | 0 | 0.039 | 0.019 | 29.698 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 25 | ALA | 0 | -0.007 | 0.008 | 33.594 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 26 | GLY | 0 | -0.089 | -0.044 | 35.625 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 27 | PHE | 0 | 0.041 | 0.006 | 35.029 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 28 | ASP | -1 | -0.736 | -0.845 | 36.464 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 29 | ARG | 1 | 0.906 | 0.954 | 36.782 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 30 | GLY | 0 | 0.003 | 0.011 | 41.656 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 31 | LEU | 0 | 0.020 | 0.018 | 40.871 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 32 | VAL | 0 | -0.008 | -0.007 | 42.529 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 33 | LYS | 1 | 0.940 | 0.966 | 45.075 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 34 | TRP | 0 | 0.004 | -0.004 | 46.761 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 35 | LEU | 0 | -0.001 | -0.006 | 44.604 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 36 | ARG | 1 | 0.885 | 0.945 | 48.602 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 37 | VAL | 0 | 0.014 | 0.022 | 51.095 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 38 | HIS | 0 | 0.077 | 0.036 | 50.737 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 39 | GLY | 0 | 0.017 | 0.013 | 49.853 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 40 | ARG | 1 | 0.931 | 0.955 | 50.672 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 41 | THR | 0 | -0.030 | -0.008 | 53.120 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 42 | LEU | 0 | 0.008 | 0.022 | 47.633 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 43 | SER | 0 | 0.049 | -0.007 | 48.393 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 44 | THR | 0 | 0.000 | -0.028 | 44.427 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 45 | VAL | 0 | 0.041 | 0.015 | 43.420 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 46 | GLN | 0 | 0.090 | 0.067 | 43.119 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 47 | LYS | 1 | 0.882 | 0.942 | 43.919 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 48 | LYS | 1 | 0.875 | 0.926 | 38.402 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 49 | ALA | 0 | 0.044 | 0.020 | 39.122 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 50 | LEU | 0 | 0.005 | 0.006 | 39.563 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 51 | TYR | 0 | 0.000 | 0.004 | 37.330 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 52 | PHE | 0 | 0.016 | 0.013 | 33.005 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 53 | VAL | 0 | 0.004 | 0.001 | 35.233 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 54 | ASN | 0 | -0.003 | 0.017 | 36.382 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 55 | ARG | 1 | 0.815 | 0.885 | 31.324 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 56 | ARG | 1 | 0.932 | 0.973 | 30.163 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 57 | TYR | 0 | 0.037 | 0.014 | 32.877 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 58 | MET | 0 | 0.007 | 0.010 | 28.024 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 59 | GLN | 0 | -0.039 | -0.022 | 26.699 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 60 | THR | 0 | -0.045 | -0.028 | 29.312 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 61 | HIS | 1 | 0.871 | 0.949 | 31.803 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 62 | TRP | 0 | 0.014 | 0.018 | 24.116 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 63 | ALA | 0 | 0.049 | 0.016 | 28.143 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 64 | ASN | 0 | 0.017 | 0.003 | 29.101 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 65 | TYR | 0 | 0.029 | 0.003 | 30.701 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 66 | MET | 0 | 0.022 | 0.012 | 24.927 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 67 | LEU | 0 | -0.008 | 0.014 | 28.979 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 68 | TRP | 0 | -0.019 | -0.005 | 31.336 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 69 | ILE | 0 | -0.007 | -0.023 | 28.326 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 70 | ASN | 0 | 0.020 | 0.007 | 26.139 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 71 | LYS | 1 | 0.865 | 0.919 | 29.707 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 72 | LYS | 1 | 0.860 | 0.938 | 33.076 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 73 | ILE | 0 | -0.035 | -0.035 | 27.324 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 74 | ASP | -1 | -0.827 | -0.890 | 29.804 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 75 | ALA | 0 | -0.053 | -0.022 | 31.790 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 76 | LEU | 0 | -0.084 | -0.035 | 30.574 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 77 | GLY | 0 | 0.032 | 0.024 | 33.714 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 78 | ARG | 1 | 0.830 | 0.884 | 30.247 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 79 | THR | 0 | 0.029 | 0.015 | 24.568 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 80 | PRO | 0 | -0.014 | 0.021 | 25.272 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 81 | VAL | 0 | 0.050 | 0.011 | 25.601 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 82 | VAL | 0 | 0.064 | 0.020 | 24.856 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 83 | GLY | 0 | 0.024 | 0.011 | 26.585 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 84 | ASP | -1 | -0.725 | -0.826 | 29.385 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 85 | TYR | 0 | 0.063 | 0.024 | 25.436 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 86 | THR | 0 | -0.043 | -0.020 | 29.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 87 | ARG | 1 | 0.893 | 0.939 | 31.149 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 88 | LEU | 0 | 0.002 | -0.006 | 30.912 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 89 | GLY | 0 | 0.042 | 0.021 | 31.644 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 90 | ALA | 0 | 0.001 | -0.010 | 32.468 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 91 | GLU | -1 | -0.884 | -0.939 | 35.660 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 92 | ILE | 0 | 0.011 | -0.005 | 32.709 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 93 | GLY | 0 | 0.016 | 0.004 | 35.852 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 94 | ARG | 1 | 0.897 | 0.962 | 37.018 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 95 | ARG | 1 | 0.896 | 0.935 | 39.843 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 96 | ILE | 0 | -0.054 | -0.007 | 37.650 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 97 | ASP | -1 | -0.834 | -0.910 | 40.931 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 98 | MET | 0 | -0.032 | -0.027 | 38.581 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 99 | ALA | 0 | 0.017 | 0.008 | 42.961 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 100 | TYR | 0 | 0.043 | 0.038 | 46.410 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 101 | PHE | 0 | -0.001 | -0.006 | 40.106 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 102 | TYR | 0 | -0.020 | -0.058 | 40.599 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 103 | ASP | -1 | -0.765 | -0.873 | 46.230 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 104 | PHE | 0 | 0.000 | 0.013 | 46.635 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 105 | LEU | 0 | -0.012 | -0.015 | 42.911 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 106 | LYS | 1 | 0.807 | 0.899 | 47.567 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 107 | ASP | -1 | -0.872 | -0.934 | 50.268 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 108 | LYS | 1 | 0.865 | 0.935 | 50.770 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 109 | ASN | 0 | -0.053 | -0.014 | 51.067 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 110 | MET | 0 | 0.032 | 0.013 | 45.869 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 111 | ILE | 0 | -0.068 | -0.020 | 44.200 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 112 | PRO | 0 | -0.015 | -0.010 | 40.565 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 113 | LYS | 1 | 0.979 | 0.983 | 42.945 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 114 | TYR | 0 | -0.024 | -0.039 | 37.312 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 115 | LEU | 0 | 0.043 | 0.014 | 37.203 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 116 | PRO | 0 | 0.073 | 0.021 | 34.520 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 117 | TYR | 0 | 0.064 | 0.021 | 31.181 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 118 | MET | 0 | -0.037 | 0.016 | 31.812 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 119 | GLU | -1 | -0.731 | -0.802 | 33.916 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 120 | GLU | -1 | -0.947 | -0.972 | 26.874 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 121 | ILE | 0 | -0.012 | -0.028 | 28.736 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 122 | ASN | 0 | -0.060 | -0.069 | 30.387 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 123 | ARG | 1 | 0.835 | 0.923 | 31.183 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 124 | MET | 0 | -0.019 | 0.024 | 25.677 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 125 | ARG | 1 | 0.872 | 0.894 | 22.055 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 126 | PRO | 0 | 0.051 | 0.013 | 26.829 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 127 | ALA | 0 | -0.017 | -0.015 | 23.752 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 128 | ASP | -1 | -0.784 | -0.852 | 22.223 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 129 | VAL | 0 | 0.002 | 0.019 | 23.357 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 130 | PRO | 0 | 0.008 | 0.011 | 22.280 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 131 | VAL | 0 | 0.014 | 0.013 | 22.439 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 132 | LYS | 1 | 0.926 | 0.949 | 21.803 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 133 | TYR | 0 | 0.019 | -0.004 | 19.897 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 134 | MET | 0 | 0.085 | 0.050 | 23.059 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |