![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 4JVJN
Calculation Name: 1ZHV-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1ZHV
Chain ID: A
UniProt ID: A9CJY8
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 | 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 | 134 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -1078224.418831 |
---|---|
FMO2-HF: Nuclear repulsion | 1027897.192751 |
FMO2-HF: Total energy | -50327.22608 |
FMO2-MP2: Total energy | -50476.517159 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F037067/ligand_interaction/ligand_F037067.png)
Ligand Interaction
![ligand interaction](./Kdata/F037067/ligand_interaction/ligand_interaction_F037067.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:ALA)
Summations of interaction energy for
fragment #1(A:2: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. |
0.18 | 2.187 | 0.024 | -0.839 | -1.193 | 0.003 |
Interaction energy analysis for fragmet #1(A:2: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 | 4 | ARG | 1 | 0.918 | 0.974 | 3.895 | 1.843 | 3.371 | -0.002 | -0.726 | -0.800 | 0.003 |
4 | A | 5 | ILE | 0 | -0.029 | -0.003 | 5.938 | 0.615 | 0.615 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 6 | LYS | 1 | 0.882 | 0.943 | 8.206 | 0.961 | 0.961 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 7 | LEU | 0 | 0.003 | -0.002 | 9.812 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 8 | LYS | 1 | 0.848 | 0.934 | 13.795 | 0.293 | 0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 9 | ILE | 0 | -0.004 | 0.028 | 17.573 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 10 | LEU | 0 | -0.043 | -0.033 | 19.779 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 11 | ASN | 0 | 0.016 | 0.002 | 22.940 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 12 | GLY | 0 | 0.034 | 0.033 | 26.345 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 13 | SER | 0 | -0.033 | -0.011 | 26.595 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 14 | TYR | 0 | -0.014 | -0.020 | 25.065 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 15 | GLY | 0 | 0.027 | 0.004 | 27.324 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 16 | ILE | 0 | -0.020 | 0.000 | 24.290 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 17 | ALA | 0 | 0.027 | 0.016 | 28.377 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 18 | ARG | 1 | 0.754 | 0.854 | 31.414 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 19 | LEU | 0 | 0.014 | 0.012 | 33.331 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 20 | SER | 0 | 0.003 | -0.020 | 35.822 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 21 | ALA | 0 | 0.067 | 0.038 | 36.388 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 22 | SER | 0 | -0.039 | -0.015 | 37.422 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 23 | GLU | -1 | -0.858 | -0.912 | 39.097 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 24 | ALA | 0 | 0.008 | 0.007 | 39.277 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 25 | ILE | 0 | 0.032 | 0.009 | 34.945 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 26 | PRO | 0 | -0.009 | 0.018 | 36.632 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 27 | ALA | 0 | 0.011 | -0.021 | 38.102 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 28 | TRP | 0 | 0.057 | 0.033 | 33.774 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 29 | ALA | 0 | 0.005 | 0.008 | 33.873 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 30 | ASP | -1 | -0.857 | -0.913 | 32.787 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 31 | GLY | 0 | -0.007 | -0.009 | 33.272 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 32 | GLY | 0 | -0.030 | -0.024 | 31.575 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 33 | GLY | 0 | 0.043 | 0.025 | 28.157 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 34 | PHE | 0 | -0.003 | -0.012 | 22.144 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 35 | VAL | 0 | 0.011 | -0.001 | 25.930 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 36 | SER | 0 | -0.011 | -0.005 | 24.675 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 37 | ILE | 0 | 0.004 | 0.018 | 26.798 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 38 | THR | 0 | -0.052 | -0.039 | 26.637 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 39 | ARG | 1 | 0.802 | 0.887 | 29.421 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 40 | THR | 0 | 0.005 | 0.004 | 29.422 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 41 | ASP | -1 | -0.908 | -0.960 | 32.388 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 42 | ASP | -1 | -0.860 | -0.914 | 33.460 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 43 | GLU | -1 | -0.855 | -0.895 | 29.846 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 44 | LEU | 0 | -0.037 | -0.021 | 33.109 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 45 | SER | 0 | 0.032 | 0.001 | 28.384 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 46 | ILE | 0 | -0.066 | -0.041 | 30.177 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 47 | VAL | 0 | -0.014 | 0.014 | 24.420 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 48 | CYS | 0 | -0.012 | -0.012 | 27.752 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 49 | LEU | 0 | -0.005 | 0.004 | 28.624 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 50 | ILE | 0 | 0.019 | -0.002 | 29.490 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 51 | ASP | -1 | -0.919 | -0.960 | 32.319 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 52 | ARG | 1 | 0.742 | 0.861 | 31.877 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 53 | ILE | 0 | -0.018 | -0.002 | 31.383 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 54 | PRO | 0 | -0.010 | 0.001 | 36.061 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 55 | GLN | 0 | -0.028 | -0.024 | 37.814 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 56 | ASP | -1 | -0.922 | -0.958 | 40.548 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 57 | VAL | 0 | -0.050 | -0.016 | 35.870 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 58 | ARG | 1 | 0.863 | 0.922 | 35.460 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 59 | VAL | 0 | 0.035 | 0.007 | 31.413 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 60 | ASP | -1 | -0.799 | -0.831 | 27.616 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 61 | PRO | 0 | 0.026 | 0.001 | 28.607 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 62 | GLY | 0 | 0.011 | 0.009 | 27.951 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 63 | TRP | 0 | -0.061 | -0.027 | 20.491 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 64 | SER | 0 | 0.048 | 0.024 | 21.431 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 65 | CYS | 0 | -0.030 | 0.007 | 20.024 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 66 | PHE | 0 | 0.047 | 0.016 | 15.766 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 67 | LYS | 1 | 0.899 | 0.969 | 17.377 | 0.348 | 0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 68 | PHE | 0 | 0.033 | 0.008 | 9.965 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 69 | GLN | 0 | -0.005 | -0.014 | 13.998 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 70 | GLY | 0 | 0.013 | 0.007 | 14.617 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 71 | PRO | 0 | 0.015 | -0.004 | 16.374 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 72 | PHE | 0 | -0.014 | -0.015 | 11.954 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 73 | ALA | 0 | 0.008 | 0.019 | 13.754 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 74 | PHE | 0 | -0.058 | -0.034 | 9.039 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 75 | ASP | -1 | -0.872 | -0.933 | 9.453 | -0.383 | -0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 76 | GLU | -1 | -0.921 | -0.966 | 9.569 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 77 | THR | 0 | -0.065 | -0.021 | 5.229 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 78 | GLY | 0 | 0.051 | 0.015 | 6.860 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 79 | ILE | 0 | 0.014 | 0.005 | 6.964 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 80 | VAL | 0 | 0.068 | 0.046 | 7.495 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 81 | LEU | 0 | 0.006 | 0.009 | 7.443 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 82 | SER | 0 | -0.031 | -0.038 | 3.113 | -0.302 | -0.055 | 0.028 | -0.078 | -0.198 | 0.000 |
82 | A | 83 | VAL | 0 | 0.010 | 0.023 | 4.926 | -0.167 | -0.131 | -0.001 | -0.001 | -0.034 | 0.000 |
83 | A | 84 | ILE | 0 | 0.053 | 0.008 | 7.795 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 85 | SER | 0 | -0.014 | 0.025 | 7.036 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 86 | PRO | 0 | 0.029 | 0.026 | 6.637 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 87 | LEU | 0 | 0.017 | 0.026 | 9.332 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 88 | SER | 0 | 0.014 | -0.015 | 12.348 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 89 | THR | 0 | -0.104 | -0.073 | 11.075 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 90 | ASN | 0 | -0.069 | -0.036 | 12.410 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 91 | GLY | 0 | -0.010 | 0.003 | 15.657 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 92 | ILE | 0 | -0.054 | -0.013 | 15.312 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 93 | GLY | 0 | -0.002 | 0.006 | 16.883 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 94 | ILE | 0 | -0.037 | -0.023 | 14.074 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 95 | PHE | 0 | 0.040 | 0.017 | 17.412 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 96 | VAL | 0 | -0.012 | -0.018 | 14.642 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 97 | VAL | 0 | 0.002 | 0.003 | 17.658 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 98 | SER | 0 | -0.001 | -0.021 | 16.232 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 99 | THR | 0 | -0.099 | -0.061 | 18.439 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 100 | PHE | 0 | 0.010 | 0.002 | 19.798 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 101 | ASP | -1 | -0.905 | -0.947 | 20.244 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 102 | GLY | 0 | -0.003 | 0.005 | 16.172 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 103 | ASP | -1 | -0.836 | -0.903 | 13.875 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 104 | HIS | 0 | -0.001 | -0.013 | 16.024 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 105 | LEU | 0 | -0.023 | -0.006 | 12.731 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 106 | LEU | 0 | -0.016 | -0.013 | 16.373 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 107 | VAL | 0 | 0.028 | 0.013 | 16.235 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 108 | ARG | 1 | 0.894 | 0.916 | 19.331 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 109 | SER | 0 | 0.017 | -0.017 | 21.672 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 110 | ASN | 0 | -0.061 | -0.027 | 23.615 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 111 | ASP | -1 | -0.838 | -0.934 | 19.139 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 112 | LEU | 0 | -0.002 | 0.019 | 18.628 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 113 | GLU | -1 | -0.876 | -0.940 | 18.107 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 114 | LYS | 1 | 0.907 | 0.943 | 17.586 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 115 | THR | 0 | 0.012 | -0.016 | 14.042 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 116 | ALA | 0 | -0.010 | -0.007 | 13.279 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 117 | ASP | -1 | -0.888 | -0.937 | 13.315 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 118 | LEU | 0 | -0.035 | -0.014 | 11.471 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 119 | LEU | 0 | -0.029 | -0.013 | 8.838 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 120 | ALA | 0 | 0.017 | 0.008 | 8.348 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 121 | ASN | 0 | -0.086 | -0.060 | 9.094 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 122 | ALA | 0 | -0.036 | -0.005 | 5.275 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 123 | GLY | 0 | -0.046 | -0.017 | 4.085 | -0.831 | -0.692 | 0.000 | -0.029 | -0.111 | 0.000 |
123 | A | 124 | HIS | 0 | -0.003 | -0.004 | 4.526 | -0.648 | -0.591 | -0.001 | -0.005 | -0.050 | 0.000 |
124 | A | 125 | SER | 0 | -0.055 | -0.020 | 7.829 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 126 | LEU | 0 | 0.030 | 0.009 | 11.388 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 127 | LEU | 0 | -0.032 | -0.009 | 14.435 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 128 | LEU | 0 | 0.054 | 0.003 | 17.290 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 129 | GLU | -1 | -0.875 | -0.926 | 20.361 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 130 | HIS | 0 | -0.026 | -0.038 | 23.566 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 131 | HIS | 0 | 0.003 | 0.003 | 25.978 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 132 | HIS | 0 | 0.019 | 0.008 | 28.340 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 133 | HIS | 0 | -0.023 | 0.005 | 30.165 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 134 | HIS | 0 | -0.012 | -0.005 | 33.760 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 135 | HIS | 0 | 0.017 | 0.010 | 35.120 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |