![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: QYRKY
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 | 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 | 127 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -1019435.898174 |
---|---|
FMO2-HF: Nuclear repulsion | 971209.37741 |
FMO2-HF: Total energy | -48226.520764 |
FMO2-MP2: Total energy | -48365.618089 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F030309/ligand_interaction/ligand_F030309.png)
Ligand Interaction
![ligand interaction](./Kdata/F030309/ligand_interaction/ligand_interaction_F030309.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. |
-6.581 | -0.916 | 1.897 | -3.034 | -4.528 | -0.019 |
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 | -0.771 | -0.840 | 2.990 | -1.839 | 0.423 | 0.056 | -1.091 | -1.227 | 0.001 |
4 | A | 13 | PRO | 0 | 0.001 | -0.010 | 3.134 | 0.042 | 0.728 | 0.046 | -0.208 | -0.525 | -0.001 |
5 | A | 14 | PRO | 0 | 0.007 | 0.008 | 4.105 | 0.028 | 0.159 | -0.001 | -0.008 | -0.122 | 0.000 |
6 | A | 15 | LEU | 0 | 0.015 | 0.004 | 6.233 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 16 | HIS | 0 | -0.005 | 0.002 | 2.465 | -4.067 | -1.528 | 1.797 | -1.707 | -2.629 | -0.019 |
8 | A | 17 | MET | 0 | 0.002 | -0.006 | 4.557 | -0.574 | -0.527 | -0.001 | -0.020 | -0.025 | 0.000 |
9 | A | 18 | LEU | 0 | -0.066 | -0.028 | 7.347 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 19 | GLY | 0 | -0.008 | -0.004 | 8.131 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 20 | PHE | 0 | -0.052 | -0.027 | 7.241 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 21 | GLU | -1 | -0.926 | -0.964 | 6.209 | 1.163 | 1.163 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 22 | PHE | 0 | -0.046 | -0.044 | 5.441 | -0.343 | -0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 23 | ASP | -1 | -0.892 | -0.933 | 8.305 | 0.403 | 0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 24 | GLU | -1 | -0.867 | -0.905 | 11.463 | 0.322 | 0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 25 | LEU | 0 | 0.006 | -0.026 | 8.947 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 26 | SER | 0 | 0.015 | 0.005 | 13.424 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 27 | PRO | 0 | 0.030 | -0.003 | 16.922 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 28 | THR | 0 | -0.044 | -0.020 | 19.216 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 29 | ARG | 1 | 0.824 | 0.878 | 17.878 | -0.356 | -0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 30 | ILE | 0 | -0.022 | 0.020 | 12.103 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 31 | THR | 0 | 0.018 | 0.004 | 13.424 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 32 | GLY | 0 | 0.047 | 0.026 | 11.018 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 33 | ARG | 1 | 0.802 | 0.895 | 10.947 | -0.751 | -0.751 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 34 | LEU | 0 | 0.044 | 0.024 | 10.790 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 35 | PRO | 0 | 0.022 | 0.014 | 11.985 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 36 | VAL | 0 | 0.014 | 0.017 | 14.608 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 37 | SER | 0 | 0.055 | 0.025 | 14.056 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 38 | PRO | 0 | 0.031 | -0.024 | 16.979 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 39 | VAL | 0 | 0.012 | 0.017 | 12.873 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 40 | CYS | 0 | -0.010 | 0.032 | 13.936 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 41 | CYS | 0 | -0.057 | -0.018 | 15.895 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 42 | GLN | 0 | 0.031 | 0.020 | 19.663 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 43 | PRO | 0 | 0.016 | -0.019 | 22.228 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 44 | PHE | 0 | -0.027 | -0.009 | 24.930 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 45 | LYS | 1 | 0.916 | 0.963 | 23.730 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 46 | VAL | 0 | 0.039 | 0.026 | 23.458 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 47 | LEU | 0 | 0.007 | 0.000 | 16.517 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 48 | HIS | 0 | 0.025 | 0.017 | 17.668 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 49 | GLY | 0 | 0.050 | 0.017 | 18.504 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 50 | GLY | 0 | -0.006 | -0.021 | 18.305 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 51 | VAL | 0 | 0.028 | 0.020 | 13.189 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 52 | SER | 0 | -0.009 | -0.005 | 14.466 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 53 | ALA | 0 | -0.015 | -0.014 | 16.372 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 54 | LEU | 0 | 0.004 | 0.022 | 9.802 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 55 | ILE | 0 | 0.015 | -0.004 | 11.615 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 56 | ALA | 0 | -0.021 | -0.008 | 12.928 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 57 | GLU | -1 | -0.906 | -0.967 | 14.110 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 58 | SER | 0 | -0.044 | -0.071 | 8.481 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 59 | LEU | 0 | 0.005 | -0.015 | 10.639 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 60 | ALA | 0 | 0.009 | 0.008 | 12.814 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 61 | SER | 0 | -0.042 | -0.014 | 13.062 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 62 | MET | 0 | 0.016 | 0.014 | 8.317 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 63 | GLY | 0 | 0.059 | 0.024 | 12.730 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 64 | ALA | 0 | 0.011 | 0.012 | 15.945 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 65 | HIS | 0 | -0.049 | -0.012 | 12.983 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 66 | MET | 0 | 0.027 | 0.000 | 14.030 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 67 | ALA | 0 | -0.029 | -0.008 | 16.746 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 68 | SER | 0 | -0.135 | -0.057 | 19.215 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 69 | GLY | 0 | 0.000 | -0.007 | 20.121 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 70 | PHE | 0 | -0.016 | -0.009 | 14.246 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 71 | LYS | 1 | 0.899 | 0.974 | 18.019 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 72 | ARG | 1 | 0.980 | 0.985 | 17.069 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 73 | VAL | 0 | 0.010 | 0.001 | 16.190 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 74 | ALA | 0 | -0.025 | -0.016 | 17.258 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 75 | GLY | 0 | 0.063 | 0.040 | 17.694 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 76 | ILE | 0 | -0.061 | -0.039 | 19.137 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 77 | GLN | 0 | 0.000 | -0.005 | 22.200 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 78 | LEU | 0 | 0.051 | 0.039 | 18.781 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 79 | SER | 0 | -0.031 | 0.003 | 22.099 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 80 | ILE | 0 | -0.028 | -0.020 | 19.797 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 81 | ASN | 0 | -0.018 | -0.001 | 23.545 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 82 | HIS | 0 | 0.011 | -0.005 | 20.981 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 83 | LEU | 0 | -0.038 | -0.024 | 25.398 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 84 | LYS | 1 | 0.938 | 0.964 | 26.228 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 85 | SER | 0 | 0.031 | 0.032 | 24.862 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 86 | ALA | 0 | 0.008 | -0.002 | 21.323 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 87 | ASP | -1 | -0.884 | -0.927 | 23.143 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 88 | LEU | 0 | 0.007 | -0.018 | 20.093 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 89 | GLY | 0 | -0.072 | -0.026 | 20.238 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 90 | ASP | -1 | -0.830 | -0.919 | 21.051 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 91 | LEU | 0 | -0.043 | -0.012 | 15.149 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 92 | VAL | 0 | 0.014 | -0.003 | 16.116 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 93 | PHE | 0 | -0.040 | -0.024 | 15.455 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 94 | ALA | 0 | 0.032 | 0.004 | 14.138 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 95 | GLU | -1 | -0.834 | -0.921 | 15.699 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 96 | ALA | 0 | 0.000 | 0.009 | 16.091 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 97 | THR | 0 | 0.019 | 0.001 | 17.873 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 98 | PRO | 0 | -0.012 | 0.016 | 20.737 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 99 | VAL | 0 | -0.009 | -0.018 | 22.878 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 100 | SER | 0 | -0.024 | -0.017 | 25.611 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 101 | THR | 0 | 0.023 | 0.001 | 23.509 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 102 | GLY | 0 | 0.024 | 0.029 | 26.172 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 103 | LYS | 1 | 0.940 | 0.962 | 26.355 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 104 | THR | 0 | -0.005 | -0.011 | 26.432 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 105 | ILE | 0 | 0.039 | 0.020 | 25.487 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 106 | GLN | 0 | 0.016 | 0.017 | 21.007 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 107 | VAL | 0 | -0.004 | 0.005 | 23.396 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 108 | TRP | 0 | 0.017 | 0.021 | 18.266 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 109 | GLU | -1 | -0.840 | -0.915 | 21.556 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 110 | VAL | 0 | -0.042 | -0.018 | 16.293 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 111 | LYS | 1 | 0.928 | 0.984 | 19.553 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 112 | LEU | 0 | 0.025 | 0.015 | 16.719 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 113 | TRP | 0 | -0.007 | -0.010 | 19.659 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 114 | LYS | 1 | 0.881 | 0.945 | 19.823 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 115 | THR | 0 | -0.005 | 0.012 | 21.265 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 116 | THR | 0 | -0.007 | 0.002 | 22.249 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 117 | GLN | 0 | -0.012 | -0.029 | 21.802 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 118 | LYS | 1 | 0.927 | 0.956 | 25.424 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 119 | ASP | -1 | -0.853 | -0.927 | 27.835 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 120 | LYS | 1 | 0.983 | 0.981 | 22.972 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 121 | ALA | 0 | -0.010 | 0.012 | 24.407 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 122 | ASN | 0 | -0.009 | 0.000 | 26.437 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 123 | LYS | 1 | 0.917 | 0.977 | 20.116 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 124 | ILE | 0 | -0.013 | -0.006 | 24.754 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 125 | LEU | 0 | -0.014 | 0.000 | 23.794 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 126 | ILE | 0 | -0.047 | -0.039 | 20.166 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 127 | SER | 0 | 0.037 | 0.018 | 20.979 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 128 | SER | 0 | 0.001 | -0.001 | 22.671 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 129 | SER | 0 | 0.036 | 0.018 | 19.709 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 130 | ARG | 1 | 0.883 | 0.928 | 22.299 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 131 | VAL | 0 | 0.027 | 0.019 | 17.943 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 132 | THR | 0 | -0.019 | -0.012 | 21.190 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 133 | LEU | 0 | 0.002 | 0.002 | 17.268 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 134 | ILE | 0 | 0.003 | 0.010 | 21.606 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 135 | CYS | 0 | -0.020 | -0.004 | 21.438 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 136 | ASN | 0 | -0.051 | -0.035 | 22.038 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |