![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: ZVNVN
Calculation Name: 1M4J-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1M4J
Chain ID: A
UniProt ID: Q91YR1
Base Structure: X-ray
Registration Date: 2023-09-22
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 | 133 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -1258400.473896 |
---|---|
FMO2-HF: Nuclear repulsion | 1205106.518218 |
FMO2-HF: Total energy | -53293.955677 |
FMO2-MP2: Total energy | -53451.416801 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F033871/ligand_interaction/ligand_F033871.png)
Ligand Interaction
![ligand interaction](./Kdata/F033871/ligand_interaction/ligand_interaction_F033871.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:7:ILE)
Summations of interaction energy for
fragment #1(A:7:ILE)
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. |
-2.526 | 3.049 | 1.096 | -2.541 | -4.125 | -0.01 |
Interaction energy analysis for fragmet #1(A:7:ILE)
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 | 9 | ALA | 0 | -0.015 | -0.014 | 3.806 | 1.028 | 2.854 | -0.028 | -0.907 | -0.891 | 0.002 |
4 | A | 10 | SER | 0 | 0.019 | -0.007 | 7.101 | -0.313 | -0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 11 | GLU | -1 | -0.820 | -0.944 | 9.170 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 12 | ASP | -1 | -0.867 | -0.900 | 12.531 | 0.558 | 0.558 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 13 | VAL | 0 | -0.030 | -0.016 | 9.903 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 14 | LYS | 1 | 0.822 | 0.920 | 9.134 | -0.584 | -0.584 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 15 | GLU | -1 | -0.822 | -0.858 | 13.797 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 16 | ILE | 0 | 0.050 | 0.013 | 15.202 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 17 | PHE | 0 | -0.010 | -0.016 | 10.068 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 18 | ALA | 0 | -0.022 | -0.005 | 16.087 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 19 | ARG | 1 | 0.781 | 0.856 | 19.197 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 20 | ALA | 0 | 0.005 | 0.000 | 18.405 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 21 | ARG | 1 | 0.946 | 0.974 | 15.462 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 22 | ASN | 0 | -0.071 | -0.017 | 21.199 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 23 | GLY | 0 | 0.044 | 0.011 | 23.616 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 24 | LYS | 1 | 0.865 | 0.930 | 23.696 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 25 | TYR | 0 | -0.011 | -0.003 | 20.462 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 26 | ARG | 1 | 0.707 | 0.832 | 22.921 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 27 | LEU | 0 | -0.002 | 0.003 | 19.076 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 28 | LEU | 0 | 0.002 | 0.003 | 15.202 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 29 | LYS | 1 | 0.856 | 0.919 | 14.807 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 30 | ILE | 0 | -0.061 | -0.039 | 8.843 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 31 | SER | 0 | 0.044 | 0.007 | 10.156 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 32 | ILE | 0 | -0.050 | -0.027 | 4.844 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 33 | GLU | -1 | -0.948 | -0.973 | 7.356 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 34 | ASN | 0 | -0.050 | -0.033 | 7.534 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 35 | GLU | -1 | -0.953 | -0.975 | 3.212 | -1.747 | -1.194 | 0.015 | -0.108 | -0.459 | 0.000 |
30 | A | 36 | GLN | 0 | 0.019 | 0.013 | 2.727 | 0.803 | 2.385 | 0.923 | -1.121 | -1.383 | -0.010 |
31 | A | 37 | LEU | 0 | -0.043 | -0.012 | 3.946 | -1.948 | -1.687 | 0.000 | -0.032 | -0.228 | 0.000 |
32 | A | 38 | VAL | 0 | 0.039 | 0.015 | 6.209 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 39 | VAL | 0 | 0.006 | -0.008 | 9.976 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 40 | GLY | 0 | 0.000 | 0.012 | 13.205 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 41 | SER | 0 | -0.010 | -0.010 | 15.380 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 42 | CYS | 0 | -0.015 | -0.007 | 17.615 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 43 | SER | 0 | 0.016 | 0.017 | 19.986 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 44 | PRO | 0 | 0.018 | 0.013 | 23.474 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 45 | PRO | 0 | -0.031 | -0.023 | 25.859 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 46 | SER | 0 | -0.073 | -0.032 | 27.939 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 47 | ASP | -1 | -0.909 | -0.938 | 31.216 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 48 | SER | 0 | -0.037 | -0.041 | 31.430 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 49 | TRP | 0 | 0.038 | -0.013 | 27.261 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 50 | GLU | -1 | -0.852 | -0.920 | 28.485 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 51 | GLN | 0 | 0.005 | 0.023 | 30.793 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 52 | ASP | -1 | -0.697 | -0.822 | 27.408 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 53 | TYR | 0 | -0.052 | -0.055 | 23.398 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 54 | ASP | -1 | -0.786 | -0.905 | 25.889 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 55 | SER | 0 | -0.028 | -0.017 | 27.218 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 56 | PHE | 0 | -0.034 | -0.023 | 24.101 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 57 | VAL | 0 | -0.005 | -0.009 | 20.900 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 58 | LEU | 0 | -0.020 | 0.002 | 22.131 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 59 | PRO | 0 | -0.014 | -0.005 | 23.818 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 60 | LEU | 0 | -0.002 | 0.012 | 19.495 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 61 | LEU | 0 | -0.034 | 0.000 | 18.438 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 62 | GLU | -1 | -0.844 | -0.923 | 17.624 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 63 | ASP | -1 | -0.833 | -0.925 | 19.986 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 64 | LYS | 1 | 0.834 | 0.910 | 19.684 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 65 | GLN | 0 | -0.009 | -0.014 | 12.359 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 66 | PRO | 0 | -0.028 | -0.010 | 12.091 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 67 | CYS | 0 | -0.084 | -0.013 | 11.979 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 68 | TYR | 0 | 0.018 | -0.024 | 7.156 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 69 | VAL | 0 | 0.014 | 0.007 | 12.791 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 70 | LEU | 0 | -0.022 | 0.007 | 12.810 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 71 | PHE | 0 | 0.040 | 0.003 | 16.661 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 72 | ARG | 1 | 0.854 | 0.946 | 20.465 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 73 | LEU | 0 | 0.040 | 0.031 | 22.670 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 74 | ASP | -1 | -0.783 | -0.897 | 25.848 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 75 | SER | 0 | -0.067 | -0.041 | 27.920 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 76 | GLN | 0 | -0.016 | -0.027 | 27.095 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 77 | ASN | 0 | 0.042 | 0.024 | 23.375 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 78 | ALA | 0 | -0.008 | -0.018 | 27.586 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 79 | GLN | 0 | -0.066 | -0.033 | 20.450 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 80 | GLY | 0 | 0.036 | 0.032 | 24.128 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 81 | TYR | 0 | -0.037 | -0.023 | 23.842 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 82 | GLU | -1 | -0.865 | -0.892 | 22.950 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 83 | TRP | 0 | -0.040 | -0.035 | 18.810 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 84 | ILE | 0 | 0.006 | 0.019 | 20.141 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 85 | PHE | 0 | -0.049 | -0.038 | 10.536 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 86 | ILE | 0 | 0.016 | 0.008 | 16.504 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 87 | ALA | 0 | -0.015 | -0.015 | 13.685 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 88 | TRP | 0 | 0.011 | 0.008 | 14.616 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 89 | SER | 0 | -0.017 | -0.039 | 13.820 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 90 | PRO | 0 | 0.043 | 0.051 | 15.962 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 91 | ASP | -1 | -0.821 | -0.907 | 18.188 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 92 | HIS | 0 | -0.013 | -0.002 | 20.573 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 93 | SER | 0 | 0.019 | 0.020 | 15.449 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 94 | HIS | 0 | 0.047 | 0.016 | 14.668 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 95 | VAL | 0 | 0.069 | 0.018 | 14.225 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 96 | ARG | 1 | 0.975 | 0.985 | 9.408 | 0.347 | 0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 97 | GLN | 0 | 0.061 | 0.034 | 9.806 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 98 | LYS | 1 | 0.881 | 0.945 | 10.128 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 99 | MET | 0 | -0.051 | -0.026 | 9.856 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 100 | LEU | 0 | 0.023 | 0.021 | 3.961 | -0.182 | -0.024 | 0.000 | -0.020 | -0.137 | 0.000 |
95 | A | 101 | TYR | 0 | 0.075 | 0.048 | 5.888 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 102 | ALA | 0 | 0.001 | 0.018 | 8.258 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 103 | ALA | 0 | -0.046 | -0.023 | 6.006 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 104 | THR | 0 | -0.015 | -0.010 | 2.981 | -1.096 | -0.230 | 0.184 | -0.289 | -0.760 | -0.002 |
99 | A | 105 | ARG | 1 | 0.845 | 0.917 | 5.441 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 106 | ALA | 0 | 0.010 | -0.006 | 8.321 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 107 | THR | 0 | 0.021 | 0.007 | 3.574 | -0.053 | 0.276 | 0.002 | -0.064 | -0.267 | 0.000 |
102 | A | 108 | LEU | 0 | 0.047 | 0.036 | 6.467 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 109 | LYS | 1 | 0.879 | 0.938 | 8.005 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 110 | LYS | 1 | 0.921 | 0.957 | 8.634 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 111 | GLU | -1 | -0.826 | -0.918 | 6.951 | 0.386 | 0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 112 | PHE | 0 | -0.023 | 0.004 | 10.340 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 113 | GLY | 0 | 0.029 | 0.016 | 13.092 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 114 | GLY | 0 | 0.001 | -0.021 | 15.079 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 115 | GLY | 0 | 0.008 | 0.014 | 16.258 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 116 | HIS | 0 | -0.027 | -0.012 | 17.377 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 117 | ILE | 0 | -0.068 | -0.033 | 15.549 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 118 | LYS | 1 | 0.871 | 0.945 | 19.030 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 119 | ASP | -1 | -0.775 | -0.851 | 21.258 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 120 | GLU | -1 | -0.764 | -0.857 | 15.355 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 121 | VAL | 0 | 0.005 | 0.017 | 18.368 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 122 | PHE | 0 | -0.002 | -0.004 | 14.975 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 123 | GLY | 0 | 0.030 | 0.011 | 18.259 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 124 | THR | 0 | -0.094 | -0.049 | 18.763 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 125 | VAL | 0 | 0.020 | -0.005 | 20.692 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 126 | LYS | 1 | 0.888 | 0.930 | 23.202 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 127 | GLU | -1 | -0.957 | -0.969 | 24.884 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 128 | ASP | -1 | -0.804 | -0.901 | 22.965 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 129 | VAL | 0 | -0.054 | -0.037 | 19.979 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 130 | SER | 0 | 0.025 | 0.047 | 23.336 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 131 | LEU | 0 | 0.014 | -0.001 | 26.323 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 132 | HIS | 0 | -0.022 | -0.014 | 28.131 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 133 | GLY | 0 | 0.037 | 0.012 | 26.981 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 134 | TYR | 0 | -0.051 | -0.057 | 24.352 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 135 | LYS | 1 | 0.856 | 0.905 | 26.272 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 136 | LYS | 1 | 0.942 | 0.974 | 28.306 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 137 | TYR | 0 | -0.078 | -0.051 | 21.397 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 138 | LEU | 0 | -0.051 | -0.022 | 26.500 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 139 | LEU | 0 | -0.099 | -0.018 | 28.647 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |