![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: Z2MZN
Calculation Name: 4IM9-A-Xray313
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4IM9
Chain ID: A
Base Structure: X-ray
Registration Date: 2021-09-06
Reference: C. Watanabe, S. Koyama, K. Kamisaka, D. Takaya, T. Honma et. al., Interaction energy analysis of Apo structure dataset on FMODB, To be pubulished.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 1.20200116 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 134 |
LigandCharge | |
Software | ABINIT-MP - Open Ver.1 Rev. 15 / 20190524 |
Total energy (hartree)
FMO2-HF: Electronic energy | -1158580.475314 |
---|---|
FMO2-HF: Nuclear repulsion | 1105273.839596 |
FMO2-HF: Total energy | -53306.635718 |
FMO2-MP2: Total energy | -53462.624597 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F015765/ligand_interaction/ligand_F015765.png)
Ligand Interaction
![ligand interaction](./Kdata/F015765/ligand_interaction/ligand_interaction_F015765.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:11:ACE )
Summations of interaction energy for
fragment #1(A:11:ACE )
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. |
0.358 | 2.029 | 0.332 | -0.843 | -1.161 | -0.003 |
Interaction energy analysis for fragmet #1(A:11:ACE )
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 | 13 | PRO | 0 | 0.121 | 0.076 | 2.830 | -0.545 | 1.126 | 0.332 | -0.843 | -1.161 | -0.003 |
4 | A | 14 | MET | 0 | -0.003 | 0.026 | 4.827 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 15 | ARG | 1 | 0.936 | 0.938 | 6.149 | 1.345 | 1.345 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 16 | ASP | -1 | -0.824 | -0.892 | 7.589 | -0.793 | -0.793 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 17 | VAL | 0 | 0.031 | 0.024 | 9.278 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 18 | ILE | 0 | -0.065 | -0.047 | 10.140 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 19 | ALA | 0 | -0.030 | -0.012 | 11.888 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 20 | LEU | 0 | 0.065 | 0.028 | 13.149 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 21 | LEU | 0 | -0.009 | 0.024 | 15.166 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 22 | ILE | 0 | -0.038 | -0.022 | 15.400 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 23 | GLN | 0 | -0.047 | -0.028 | 15.846 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 24 | ASN | 0 | -0.053 | -0.031 | 18.882 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 25 | PRO | 0 | 0.026 | 0.009 | 20.906 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 26 | SER | 0 | 0.074 | 0.028 | 22.303 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 27 | TYR | 0 | 0.020 | -0.010 | 18.205 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 28 | ALA | 0 | 0.016 | 0.005 | 20.273 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 29 | GLU | -1 | -1.006 | -0.999 | 21.300 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 30 | LEU | 0 | -0.016 | 0.005 | 20.347 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 31 | VAL | 0 | -0.043 | -0.007 | 17.191 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 32 | PRO | 0 | 0.033 | 0.030 | 18.277 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 33 | ASP | -1 | -0.872 | -0.959 | 20.072 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 34 | LEU | 0 | 0.033 | 0.011 | 15.606 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 35 | ALA | 0 | -0.056 | -0.029 | 19.270 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 36 | SER | 0 | -0.032 | -0.015 | 21.549 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 37 | VAL | 0 | 0.041 | 0.005 | 16.048 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 38 | ARG | 1 | 0.947 | 0.987 | 16.276 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 39 | HIS | 0 | -0.032 | -0.001 | 16.847 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 40 | LEU | 0 | -0.039 | -0.011 | 13.767 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 41 | MET | 0 | 0.038 | 0.013 | 13.437 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 42 | ILE | 0 | -0.026 | -0.006 | 7.526 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 43 | PRO | 0 | 0.018 | -0.007 | 6.520 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 44 | GLY | 0 | 0.029 | 0.013 | 7.401 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 45 | LEU | 0 | 0.044 | 0.029 | 9.585 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 46 | ASP | -1 | -0.844 | -0.914 | 11.513 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 47 | THR | 0 | -0.045 | -0.022 | 12.389 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 48 | PHE | 0 | 0.037 | 0.003 | 11.809 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 49 | SER | 0 | -0.046 | -0.033 | 13.816 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 50 | GLU | -1 | -0.866 | -0.920 | 16.894 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 51 | VAL | 0 | -0.007 | -0.011 | 16.315 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 52 | LEU | 0 | 0.011 | 0.000 | 17.492 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 53 | GLU | -1 | -0.991 | -0.987 | 19.299 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 54 | LYS | 1 | 0.945 | 0.972 | 22.133 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 55 | CYS | 0 | -0.052 | -0.020 | 20.796 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 56 | ARG | 1 | 0.802 | 0.898 | 20.763 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 57 | GLN | 0 | -0.039 | -0.022 | 25.094 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 58 | TYR | 0 | -0.094 | -0.040 | 26.849 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 59 | PRO | 0 | 0.075 | 0.039 | 26.926 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 60 | HIS | 0 | -0.022 | -0.010 | 27.341 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 61 | ILE | 0 | -0.054 | -0.002 | 25.288 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 62 | THR | 0 | 0.041 | 0.025 | 26.589 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 63 | THR | 0 | 0.080 | 0.006 | 21.614 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 64 | GLY | 0 | -0.005 | 0.000 | 23.988 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 65 | GLN | 0 | -0.005 | -0.025 | 26.370 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 66 | LEU | 0 | 0.006 | 0.008 | 20.722 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 67 | LEU | 0 | 0.012 | -0.003 | 20.265 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 68 | GLU | -1 | -0.853 | -0.908 | 23.720 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 69 | HIS | 0 | -0.072 | -0.034 | 24.898 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 70 | TRP | 0 | -0.068 | -0.041 | 19.640 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 71 | ARG | 1 | 0.867 | 0.931 | 23.896 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 72 | ASP | -1 | -0.936 | -0.963 | 25.906 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 73 | SER | 0 | -0.052 | -0.022 | 22.706 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 74 | LYS | 1 | 0.933 | 0.950 | 16.469 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 75 | ASN | 0 | -0.056 | -0.048 | 16.119 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 76 | GLU | -1 | -0.762 | -0.856 | 18.043 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 77 | THR | 0 | 0.005 | 0.007 | 18.174 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 78 | LEU | 0 | -0.063 | -0.028 | 11.599 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 79 | LEU | 0 | 0.043 | 0.005 | 15.180 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 80 | SER | 0 | 0.003 | -0.006 | 17.026 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 81 | ARG | 1 | 0.870 | 0.945 | 10.535 | 0.656 | 0.656 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 82 | LEU | 0 | -0.040 | -0.031 | 11.027 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 83 | ALA | 0 | 0.045 | 0.037 | 14.887 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 84 | SER | 0 | -0.025 | -0.025 | 17.689 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 85 | TRP | 0 | -0.098 | -0.042 | 9.211 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 86 | GLU | -1 | -0.943 | -0.982 | 11.855 | -0.542 | -0.542 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 87 | ILE | 0 | 0.038 | 0.046 | 15.764 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 88 | PRO | 0 | -0.037 | -0.001 | 18.244 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 89 | LEU | 0 | -0.044 | -0.032 | 20.571 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 90 | VAL | 0 | -0.042 | -0.030 | 23.749 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 91 | GLU | -1 | -0.864 | -0.940 | 22.058 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 92 | ASP | -1 | -0.943 | -0.971 | 23.362 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 93 | ASN | 0 | -0.026 | -0.021 | 20.467 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 94 | GLN | 0 | 0.018 | 0.020 | 17.581 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 95 | GLU | -1 | -0.908 | -0.960 | 18.261 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 96 | GLU | -1 | -0.921 | -0.958 | 18.763 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 97 | LEU | 0 | 0.015 | 0.020 | 12.775 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 98 | PHE | 0 | -0.016 | 0.008 | 14.182 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 99 | LEU | 0 | 0.016 | 0.007 | 14.333 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 100 | ASP | -1 | -0.896 | -0.937 | 14.240 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 101 | SER | 0 | -0.090 | -0.073 | 9.967 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 102 | LEU | 0 | -0.043 | -0.033 | 10.369 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 103 | ASP | -1 | -0.859 | -0.924 | 12.399 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 104 | LYS | 1 | 0.907 | 0.950 | 8.039 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 105 | ILE | 0 | -0.035 | -0.013 | 6.391 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 106 | LEU | 0 | 0.006 | -0.002 | 9.664 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 107 | ALA | 0 | 0.006 | 0.004 | 12.226 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 108 | GLN | 0 | -0.007 | -0.008 | 5.620 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 109 | CYS | 0 | -0.071 | -0.027 | 10.729 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 110 | VAL | 0 | 0.008 | -0.004 | 13.208 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 111 | GLU | -1 | -0.943 | -0.956 | 13.098 | 0.373 | 0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 112 | LYS | 1 | 0.949 | 0.966 | 11.151 | -0.280 | -0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 113 | GLN | 0 | 0.022 | 0.001 | 14.695 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 114 | ILE | 0 | -0.019 | -0.002 | 17.842 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 115 | GLU | -1 | -0.968 | -0.978 | 15.629 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 116 | ASN | 0 | -0.021 | -0.016 | 16.934 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 117 | LEU | 0 | -0.010 | 0.005 | 20.206 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 118 | GLN | 0 | 0.034 | 0.000 | 21.693 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 119 | ALA | 0 | -0.061 | -0.027 | 21.950 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 120 | LYS | 1 | 0.871 | 0.909 | 23.930 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 121 | GLU | -1 | -0.901 | -0.950 | 26.306 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 122 | ARG | 1 | 0.923 | 0.966 | 22.629 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 123 | SER | 0 | -0.080 | -0.024 | 27.670 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 124 | VAL | 0 | -0.036 | -0.027 | 29.558 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 125 | GLY | 0 | -0.005 | 0.020 | 30.701 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 126 | LEU | 0 | -0.046 | -0.025 | 26.881 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 127 | SER | 0 | 0.006 | 0.001 | 30.838 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 128 | THR | 0 | 0.015 | -0.028 | 31.814 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 129 | GLU | -1 | -0.958 | -0.975 | 29.679 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 130 | GLU | -1 | -0.735 | -0.846 | 27.008 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 131 | LYS | 1 | 0.886 | 0.958 | 27.258 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 132 | ARG | 1 | 0.923 | 0.963 | 28.936 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 133 | GLU | -1 | -0.857 | -0.924 | 23.036 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 134 | LEU | 0 | 0.008 | -0.004 | 23.293 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 135 | GLN | 0 | 0.003 | -0.022 | 24.459 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 136 | ASP | -1 | -0.904 | -0.944 | 25.513 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 137 | LEU | 0 | -0.062 | -0.027 | 19.696 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 138 | ILE | 0 | -0.027 | -0.010 | 21.459 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 139 | LEU | 0 | -0.080 | -0.027 | 23.278 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 140 | LYS | 1 | 0.938 | 0.947 | 23.908 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 141 | GLY | 0 | 0.056 | 0.051 | 19.669 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 142 | LEU | 0 | -0.118 | -0.062 | 17.152 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 143 | LYS | 1 | 1.075 | 1.083 | 17.750 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 144 | NME | 0 | -0.064 | -0.065 | 19.964 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |