![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 492QN
Calculation Name: 4K02-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4K02
Chain ID: A
UniProt ID: Q9SX65
Base Structure: X-ray
Registration Date: 2023-09-20
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 | 127 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -1020253.986481 |
---|---|
FMO2-HF: Nuclear repulsion | 972026.696128 |
FMO2-HF: Total energy | -48227.290354 |
FMO2-MP2: Total energy | -48366.367472 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F030307/ligand_interaction/ligand_F030307.png)
Ligand Interaction
![ligand interaction](./Kdata/F030307/ligand_interaction/ligand_interaction_F030307.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:10:ALA)
Summations of interaction energy for
fragment #1(A:10: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. |
-8.274 | -2.941 | 5.07 | -3.533 | -6.87 | -0.02 |
Interaction energy analysis for fragmet #1(A:10: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 | 12 | ASP | -1 | -0.777 | -0.858 | 3.304 | -2.095 | -0.219 | 0.019 | -0.875 | -1.020 | 0.001 |
4 | A | 13 | PRO | 0 | 0.008 | 0.001 | 2.940 | -0.153 | 0.725 | 0.104 | -0.289 | -0.693 | -0.001 |
5 | A | 14 | PRO | 0 | 0.014 | 0.011 | 3.880 | 0.076 | 0.244 | 0.000 | 0.007 | -0.175 | 0.000 |
6 | A | 15 | LEU | 0 | 0.012 | 0.000 | 6.476 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 16 | HIS | 0 | -0.008 | 0.000 | 2.418 | -6.039 | -3.712 | 4.948 | -2.356 | -4.919 | -0.020 |
8 | A | 17 | MET | 0 | -0.032 | -0.023 | 4.519 | -0.486 | -0.402 | -0.001 | -0.020 | -0.063 | 0.000 |
9 | A | 18 | LEU | 0 | -0.042 | -0.017 | 6.973 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 19 | GLY | 0 | -0.006 | 0.002 | 7.757 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 20 | PHE | 0 | -0.053 | -0.033 | 7.340 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 21 | GLU | -1 | -0.956 | -0.973 | 6.180 | 1.120 | 1.120 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 22 | PHE | 0 | -0.005 | -0.026 | 5.769 | -0.328 | -0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 23 | ASP | -1 | -0.866 | -0.905 | 8.832 | 0.450 | 0.450 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 24 | GLU | -1 | -0.808 | -0.874 | 11.857 | 0.338 | 0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 25 | LEU | 0 | 0.018 | -0.011 | 8.899 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 26 | SER | 0 | 0.012 | -0.014 | 13.538 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 27 | PRO | 0 | 0.004 | -0.005 | 17.191 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 28 | THR | 0 | 0.002 | -0.009 | 19.374 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 29 | ARG | 1 | 0.752 | 0.845 | 18.202 | -0.335 | -0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 30 | ILE | 0 | -0.009 | 0.032 | 12.420 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 31 | THR | 0 | -0.009 | -0.012 | 13.605 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 32 | GLY | 0 | 0.037 | 0.016 | 11.474 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 33 | ARG | 1 | 0.782 | 0.875 | 11.251 | -0.710 | -0.710 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 34 | LEU | 0 | 0.054 | 0.023 | 10.702 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 35 | PRO | 0 | 0.032 | 0.017 | 12.127 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 36 | VAL | 0 | -0.012 | 0.009 | 14.624 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 37 | SER | 0 | 0.067 | 0.024 | 13.513 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 38 | PRO | 0 | 0.032 | -0.012 | 16.628 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 39 | VAL | 0 | 0.005 | 0.012 | 12.629 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 40 | CYS | 0 | -0.004 | 0.025 | 13.652 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 41 | CYS | 0 | -0.071 | -0.028 | 15.629 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 42 | GLN | 0 | 0.029 | 0.020 | 19.429 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 43 | PRO | 0 | 0.011 | -0.020 | 22.113 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 44 | PHE | 0 | -0.039 | -0.016 | 24.762 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 45 | LYS | 1 | 0.927 | 0.970 | 23.704 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 46 | VAL | 0 | 0.041 | 0.024 | 23.051 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 47 | LEU | 0 | 0.012 | 0.006 | 16.495 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 48 | HIS | 0 | 0.016 | 0.010 | 17.577 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 49 | GLY | 0 | 0.042 | 0.018 | 18.388 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 50 | GLY | 0 | 0.003 | -0.012 | 18.152 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 51 | VAL | 0 | 0.024 | 0.012 | 13.020 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 52 | SER | 0 | -0.007 | -0.009 | 14.492 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 53 | ALA | 0 | 0.008 | 0.004 | 16.734 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 54 | LEU | 0 | 0.005 | 0.010 | 10.287 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 55 | ILE | 0 | -0.006 | -0.002 | 12.120 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 56 | ALA | 0 | -0.014 | -0.009 | 13.264 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 57 | GLU | -1 | -0.864 | -0.949 | 14.393 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 58 | SER | 0 | -0.036 | -0.045 | 8.830 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 59 | LEU | 0 | 0.002 | -0.008 | 10.867 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 60 | ALA | 0 | 0.017 | 0.014 | 13.271 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 61 | SER | 0 | -0.034 | -0.010 | 13.141 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 62 | MET | 0 | 0.002 | -0.004 | 9.117 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 63 | GLY | 0 | 0.050 | 0.019 | 13.181 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 64 | ALA | 0 | 0.001 | 0.003 | 16.380 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 65 | HIS | 0 | -0.025 | -0.013 | 13.180 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 66 | MET | 0 | -0.014 | 0.002 | 14.339 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 67 | ALA | 0 | 0.010 | 0.003 | 17.207 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 68 | SER | 0 | -0.136 | -0.068 | 19.410 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 69 | GLY | 0 | 0.016 | 0.000 | 20.809 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 70 | PHE | 0 | -0.017 | -0.012 | 14.444 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 71 | LYS | 1 | 0.873 | 0.961 | 18.285 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 72 | ARG | 1 | 0.989 | 0.994 | 17.953 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 73 | VAL | 0 | 0.007 | 0.002 | 16.676 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 74 | ALA | 0 | -0.019 | -0.014 | 17.773 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 75 | GLY | 0 | 0.064 | 0.049 | 17.914 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 76 | ILE | 0 | -0.089 | -0.053 | 19.592 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 77 | GLN | 0 | 0.000 | 0.006 | 22.827 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 78 | LEU | 0 | 0.028 | 0.038 | 18.303 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 79 | SER | 0 | -0.005 | -0.011 | 22.172 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 80 | ILE | 0 | -0.029 | -0.002 | 19.653 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 81 | ASN | 0 | -0.004 | 0.013 | 23.546 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 82 | HIS | 0 | 0.033 | 0.020 | 20.813 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 83 | LEU | 0 | -0.049 | -0.024 | 25.245 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 84 | LYS | 1 | 0.919 | 0.959 | 26.268 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 85 | SER | 0 | -0.010 | -0.004 | 24.907 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 86 | ALA | 0 | 0.003 | -0.008 | 20.869 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 87 | ASP | -1 | -0.818 | -0.907 | 22.492 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 88 | LEU | 0 | -0.004 | -0.018 | 20.351 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 89 | GLY | 0 | -0.004 | 0.010 | 20.265 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 90 | ASP | -1 | -0.800 | -0.889 | 20.831 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 91 | LEU | 0 | -0.029 | -0.010 | 15.103 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 92 | VAL | 0 | 0.019 | 0.006 | 15.922 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 93 | PHE | 0 | 0.012 | -0.007 | 15.784 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 94 | ALA | 0 | 0.025 | 0.004 | 14.381 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 95 | GLU | -1 | -0.786 | -0.887 | 15.872 | 0.318 | 0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 96 | ALA | 0 | 0.000 | 0.009 | 16.311 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 97 | THR | 0 | 0.032 | 0.009 | 18.031 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 98 | PRO | 0 | -0.002 | 0.014 | 20.998 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 99 | VAL | 0 | -0.047 | -0.027 | 23.244 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 100 | SER | 0 | -0.018 | -0.013 | 26.135 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 101 | THR | 0 | 0.026 | 0.014 | 23.964 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 102 | GLY | 0 | 0.043 | 0.029 | 26.598 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 103 | LYS | 1 | 0.930 | 0.957 | 26.651 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 104 | THR | 0 | 0.000 | -0.004 | 26.752 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 105 | ILE | 0 | 0.027 | 0.015 | 25.807 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 106 | GLN | 0 | -0.006 | -0.011 | 21.072 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 107 | VAL | 0 | -0.010 | -0.001 | 24.149 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 108 | TRP | 0 | 0.037 | 0.017 | 18.326 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 109 | GLU | -1 | -0.829 | -0.892 | 22.044 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 110 | VAL | 0 | -0.020 | -0.006 | 16.585 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 111 | LYS | 1 | 0.811 | 0.913 | 19.833 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 112 | LEU | 0 | 0.039 | 0.016 | 16.746 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 113 | TRP | 0 | -0.007 | -0.010 | 19.729 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 114 | LYS | 1 | 0.776 | 0.906 | 19.942 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 115 | THR | 0 | -0.017 | 0.013 | 21.106 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 116 | THR | 0 | 0.024 | 0.004 | 22.027 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 117 | GLN | 0 | 0.019 | -0.012 | 21.170 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 118 | LYS | 1 | 0.934 | 0.970 | 25.151 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 119 | ASP | -1 | -0.822 | -0.910 | 27.437 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 120 | LYS | 1 | 0.902 | 0.932 | 23.013 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 121 | ALA | 0 | -0.009 | 0.011 | 24.157 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 122 | ASN | 0 | -0.047 | -0.024 | 26.186 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 123 | LYS | 1 | 0.899 | 0.967 | 20.366 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 124 | ILE | 0 | 0.006 | 0.012 | 25.012 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 125 | LEU | 0 | -0.018 | -0.008 | 23.886 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 126 | ILE | 0 | -0.043 | -0.027 | 19.860 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 127 | SER | 0 | -0.010 | -0.029 | 21.379 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 128 | SER | 0 | 0.011 | 0.010 | 22.974 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 129 | SER | 0 | 0.015 | -0.009 | 20.642 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 130 | ARG | 1 | 0.850 | 0.906 | 22.775 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 131 | VAL | 0 | 0.056 | 0.029 | 18.558 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 132 | THR | 0 | -0.017 | -0.003 | 21.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 133 | LEU | 0 | 0.022 | 0.007 | 17.806 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 134 | ILE | 0 | 0.007 | 0.014 | 21.968 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 135 | CYS | 0 | -0.031 | -0.003 | 21.743 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 136 | ASN | 0 | -0.030 | -0.019 | 22.478 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |