![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: ZV8YN
Calculation Name: 3F7E-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3F7E
Chain ID: A
UniProt ID: A0QXP8
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 | 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 | 128 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -1114253.273638 |
---|---|
FMO2-HF: Nuclear repulsion | 1064144.188633 |
FMO2-HF: Total energy | -50109.085005 |
FMO2-MP2: Total energy | -50258.0307 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F037431/ligand_interaction/ligand_F037431.png)
Ligand Interaction
![ligand interaction](./Kdata/F037431/ligand_interaction/ligand_interaction_F037431.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:2:VAL)
Summations of interaction energy for
fragment #1(A:2:VAL)
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. |
-4.517 | -2.29 | 13.061 | -4.435 | -10.851 | -0.03 |
Interaction energy analysis for fragmet #1(A:2:VAL)
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 | 4 | VAL | 0 | 0.036 | 0.020 | 3.071 | -2.569 | 0.038 | 0.119 | -1.314 | -1.412 | -0.005 |
4 | A | 5 | PRO | 0 | -0.029 | -0.021 | 4.823 | 0.515 | 0.515 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 6 | GLU | -1 | -0.891 | -0.905 | 7.450 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 7 | GLY | 0 | 0.045 | -0.013 | 10.424 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 8 | TYR | 0 | -0.052 | -0.049 | 9.717 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 9 | GLU | -1 | -0.808 | -0.892 | 9.136 | -0.899 | -0.899 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 10 | SER | 0 | 0.060 | 0.022 | 10.530 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 11 | LEU | 0 | -0.078 | -0.040 | 12.703 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 12 | LEU | 0 | -0.046 | -0.022 | 7.590 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 13 | GLU | -1 | -0.880 | -0.939 | 12.083 | -0.393 | -0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 14 | ARG | 1 | 0.878 | 0.945 | 14.718 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 15 | PRO | 0 | -0.001 | 0.028 | 16.930 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 16 | LEU | 0 | -0.009 | 0.000 | 16.732 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 17 | TYR | 0 | -0.008 | -0.001 | 17.790 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 18 | GLY | 0 | 0.021 | 0.012 | 15.255 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 19 | HIS | 0 | -0.042 | -0.030 | 15.993 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 20 | LEU | 0 | -0.012 | -0.008 | 12.764 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 21 | ALA | 0 | 0.001 | -0.013 | 14.430 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 22 | THR | 0 | -0.023 | -0.014 | 14.522 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 23 | VAL | 0 | 0.045 | 0.013 | 16.521 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 24 | ARG | 1 | 0.905 | 0.966 | 19.053 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 25 | PRO | 0 | 0.013 | -0.011 | 22.428 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 26 | ASP | -1 | -0.873 | -0.918 | 24.137 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 27 | GLY | 0 | 0.004 | 0.007 | 22.280 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 28 | THR | 0 | -0.046 | -0.024 | 22.647 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 29 | PRO | 0 | 0.019 | 0.005 | 19.529 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 30 | GLN | 0 | -0.082 | -0.038 | 19.849 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 31 | VAL | 0 | 0.045 | 0.017 | 17.685 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 32 | ASN | 0 | -0.022 | -0.027 | 19.080 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 33 | ALA | 0 | 0.063 | 0.051 | 19.032 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 34 | MET | 0 | -0.074 | -0.040 | 17.363 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 35 | TRP | 0 | 0.043 | 0.044 | 18.680 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 36 | PHE | 0 | -0.011 | -0.009 | 12.786 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 37 | ALA | 0 | 0.015 | 0.008 | 14.775 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 38 | TRP | 0 | -0.042 | -0.037 | 5.036 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 39 | ASP | -1 | -0.807 | -0.891 | 10.591 | -0.595 | -0.595 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 40 | GLY | 0 | 0.049 | 0.036 | 9.293 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 41 | GLU | -1 | -1.014 | -0.998 | 6.198 | -0.455 | -0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 42 | VAL | 0 | -0.079 | -0.053 | 6.015 | -0.614 | -0.614 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 43 | LEU | 0 | -0.012 | -0.004 | 8.272 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 44 | ARG | 1 | 0.861 | 0.930 | 10.480 | 0.502 | 0.502 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 45 | PHE | 0 | 0.035 | 0.006 | 11.845 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 46 | THR | 0 | 0.042 | 0.041 | 16.876 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 47 | HIS | 0 | -0.029 | -0.017 | 17.215 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 48 | THR | 0 | 0.016 | 0.010 | 21.978 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 49 | THR | 0 | 0.002 | -0.007 | 24.327 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 50 | LYS | 1 | 0.931 | 0.969 | 25.801 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 51 | ARG | 1 | 0.915 | 0.957 | 25.034 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 52 | GLN | 0 | 0.019 | -0.009 | 24.302 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 53 | LYS | 1 | 0.922 | 0.970 | 20.156 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 54 | TYR | 0 | 0.105 | 0.069 | 20.121 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 55 | ARG | 1 | 0.886 | 0.928 | 21.219 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 56 | ASN | 0 | 0.010 | 0.007 | 19.618 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 57 | ILE | 0 | 0.030 | 0.020 | 16.001 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 58 | LYS | 1 | 0.849 | 0.932 | 17.779 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 59 | ALA | 0 | -0.024 | 0.000 | 20.435 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 60 | ASN | 0 | 0.010 | 0.002 | 15.747 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 61 | PRO | 0 | 0.051 | 0.035 | 13.324 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 62 | ALA | 0 | -0.003 | 0.010 | 11.304 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 63 | VAL | 0 | -0.027 | -0.017 | 10.151 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 64 | ALA | 0 | -0.019 | -0.013 | 9.903 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 65 | MET | 0 | -0.018 | 0.011 | 10.161 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 66 | SER | 0 | 0.005 | 0.023 | 11.148 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 67 | VAL | 0 | 0.019 | 0.008 | 12.346 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 68 | ILE | 0 | -0.017 | -0.004 | 15.021 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 69 | ASP | -1 | -0.814 | -0.911 | 17.696 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 70 | PRO | 0 | -0.065 | -0.028 | 19.524 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 71 | ASP | -1 | -0.873 | -0.934 | 22.870 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 72 | ASN | 0 | -0.031 | -0.018 | 21.760 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 73 | PRO | 0 | 0.035 | 0.012 | 20.798 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 74 | TYR | 0 | -0.010 | -0.024 | 19.866 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 75 | ARG | 1 | 0.840 | 0.947 | 14.992 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 76 | TYR | 0 | 0.019 | 0.000 | 13.450 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 77 | LEU | 0 | -0.026 | -0.022 | 7.713 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 78 | GLU | -1 | -0.964 | -0.971 | 10.164 | -0.378 | -0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 79 | VAL | 0 | 0.008 | 0.000 | 5.280 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 80 | ARG | 1 | 0.958 | 0.970 | 6.073 | 0.666 | 0.666 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 81 | GLY | 0 | 0.086 | 0.036 | 5.041 | -0.523 | -0.457 | -0.001 | -0.006 | -0.058 | 0.000 |
81 | A | 82 | LEU | 0 | -0.030 | -0.004 | 6.606 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 83 | VAL | 0 | -0.052 | -0.035 | 9.301 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 84 | GLU | -1 | -0.844 | -0.904 | 9.273 | -0.618 | -0.618 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 85 | ASP | -1 | -0.843 | -0.920 | 12.198 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 86 | ILE | 0 | -0.107 | -0.065 | 15.191 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 87 | VAL | 0 | 0.032 | 0.028 | 17.835 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 88 | PRO | 0 | -0.031 | -0.018 | 20.402 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 89 | ASP | -1 | -0.799 | -0.917 | 23.033 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 90 | PRO | 0 | 0.030 | 0.019 | 24.979 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 91 | THR | 0 | -0.046 | -0.034 | 28.317 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 92 | GLY | 0 | 0.006 | -0.001 | 26.902 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 93 | ALA | 0 | 0.043 | 0.029 | 26.069 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 94 | PHE | 0 | -0.015 | -0.020 | 17.341 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 95 | TYR | 0 | -0.023 | -0.030 | 22.469 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 96 | LEU | 0 | 0.006 | -0.001 | 24.152 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 97 | LYS | 1 | 0.954 | 0.985 | 21.821 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 98 | LEU | 0 | -0.047 | -0.012 | 17.739 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 99 | ASN | 0 | 0.048 | 0.000 | 21.586 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 100 | ASP | -1 | -0.942 | -0.962 | 24.657 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 101 | ARG | 1 | 0.831 | 0.914 | 16.263 | 0.386 | 0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 102 | TYR | 0 | -0.096 | -0.079 | 17.824 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 103 | ASP | -1 | -0.925 | -0.940 | 23.488 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 104 | GLY | 0 | -0.030 | -0.013 | 26.690 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 105 | PRO | 0 | 0.002 | -0.021 | 28.015 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 106 | LEU | 0 | -0.113 | -0.035 | 27.096 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 107 | THR | 0 | 0.032 | -0.016 | 29.189 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 108 | GLU | -1 | -0.896 | -0.920 | 31.332 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 109 | PRO | 0 | -0.062 | -0.028 | 30.543 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 110 | PRO | 0 | 0.021 | 0.019 | 28.253 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 111 | ALA | 0 | 0.044 | 0.004 | 31.525 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 112 | ASP | -1 | -0.868 | -0.910 | 29.247 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 113 | LYS | 1 | 0.994 | 0.987 | 29.208 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 114 | ALA | 0 | 0.012 | 0.011 | 29.087 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 115 | ASP | -1 | -0.888 | -0.939 | 28.722 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 116 | ARG | 1 | 0.770 | 0.863 | 24.151 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 117 | VAL | 0 | -0.018 | -0.009 | 20.850 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 118 | ILE | 0 | 0.008 | 0.002 | 16.719 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 119 | ILE | 0 | -0.042 | -0.019 | 14.327 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 120 | VAL | 0 | 0.054 | 0.020 | 11.085 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 121 | VAL | 0 | -0.016 | -0.010 | 7.781 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 122 | ARG | 1 | 0.927 | 0.943 | 4.382 | 0.812 | 0.927 | -0.001 | -0.006 | -0.109 | 0.000 |
122 | A | 123 | PRO | 0 | -0.018 | -0.007 | 2.378 | -0.226 | -0.192 | 1.836 | -0.502 | -1.367 | 0.000 |
123 | A | 124 | THR | 0 | -0.035 | -0.035 | 2.530 | -1.690 | -1.646 | 3.862 | -1.157 | -2.748 | -0.014 |
124 | A | 125 | ALA | 0 | -0.045 | -0.026 | 2.391 | -0.968 | 0.253 | 1.210 | -0.689 | -1.743 | -0.005 |
125 | A | 126 | PHE | 0 | 0.042 | 0.022 | 1.905 | 1.164 | -0.741 | 6.037 | -0.761 | -3.371 | -0.006 |
126 | A | 127 | SER | 0 | -0.027 | -0.009 | 5.239 | 0.221 | 0.266 | -0.001 | 0.000 | -0.043 | 0.000 |
127 | A | 128 | LYS | 1 | 0.967 | 0.996 | 8.673 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 129 | GLN | 0 | 0.001 | 0.014 | 11.469 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |