![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 17J5Z
Calculation Name: 5T11-J-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5T11
Chain ID: J
UniProt ID: B2T2U6
Base Structure: X-ray
Registration Date: 2023-06-21
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 | 139 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -1103377.174467 |
---|---|
FMO2-HF: Nuclear repulsion | 1052951.201001 |
FMO2-HF: Total energy | -50425.973466 |
FMO2-MP2: Total energy | -50574.904925 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F024528/ligand_interaction/ligand_F024528.png)
Ligand Interaction
![ligand interaction](./Kdata/F024528/ligand_interaction/ligand_interaction_F024528.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(J:4:MET)
Summations of interaction energy for
fragment #1(J:4:MET)
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. |
-5.558 | 0.023 | 0.408 | -2.358 | -3.632 | -0.005 |
Interaction energy analysis for fragmet #1(J:4:MET)
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 | J | 6 | THR | 0 | -0.092 | -0.040 | 3.092 | -2.313 | 0.154 | 0.121 | -1.379 | -1.210 | -0.004 |
4 | J | 7 | VAL | 0 | 0.033 | 0.002 | 5.422 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | J | 8 | ARG | 1 | 0.890 | 0.952 | 8.049 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | J | 9 | GLN | 0 | -0.003 | -0.009 | 11.274 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | J | 10 | THR | 0 | 0.000 | 0.012 | 14.682 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | J | 11 | SER | 0 | -0.004 | -0.007 | 18.165 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | J | 12 | GLY | 0 | 0.047 | 0.018 | 20.504 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | J | 13 | PRO | 0 | -0.016 | 0.012 | 22.135 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | J | 14 | ALA | 0 | -0.028 | -0.029 | 22.785 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | J | 15 | LEU | 0 | 0.023 | 0.027 | 21.730 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | J | 16 | ALA | 0 | 0.036 | 0.008 | 24.751 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | J | 17 | ARG | 1 | 0.970 | 0.978 | 26.349 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | J | 18 | GLY | 0 | -0.038 | -0.029 | 27.475 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | J | 19 | ASP | -1 | -0.829 | -0.902 | 27.122 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | J | 20 | LYS | 1 | 0.897 | 0.962 | 27.652 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | J | 21 | VAL | 0 | 0.014 | 0.018 | 23.275 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | J | 22 | ALA | 0 | -0.014 | -0.008 | 26.610 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | J | 23 | VAL | 0 | 0.005 | -0.003 | 21.961 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | J | 24 | VAL | 0 | -0.010 | -0.018 | 24.608 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | J | 25 | SER | 0 | -0.008 | -0.012 | 25.020 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | J | 26 | ILE | 0 | -0.032 | 0.003 | 19.019 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | J | 27 | ALA | 0 | 0.002 | 0.013 | 22.542 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | J | 28 | ASN | 0 | 0.025 | -0.007 | 20.778 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | J | 29 | TYR | 0 | -0.033 | -0.011 | 19.381 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | J | 30 | THR | 0 | -0.045 | -0.022 | 16.817 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | J | 31 | GLU | -1 | -0.917 | -0.964 | 19.431 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | J | 32 | THR | 0 | -0.065 | -0.051 | 17.763 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | J | 33 | PRO | 0 | 0.010 | -0.002 | 20.884 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | J | 34 | ASP | -1 | -0.840 | -0.917 | 22.883 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | J | 35 | ALA | 0 | 0.000 | -0.001 | 18.466 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | J | 36 | GLY | 0 | 0.032 | 0.017 | 19.489 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | J | 37 | HIS | 0 | 0.004 | 0.005 | 21.366 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | J | 38 | SER | 0 | -0.040 | -0.017 | 18.617 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | J | 39 | ALA | 0 | -0.003 | -0.005 | 17.195 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | J | 40 | GLU | -1 | -0.814 | -0.909 | 18.105 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | J | 41 | SER | 0 | -0.007 | -0.004 | 21.037 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | J | 42 | ILE | 0 | -0.031 | -0.011 | 14.351 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | J | 43 | ALA | 0 | 0.025 | 0.035 | 16.958 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | J | 44 | ALA | 0 | 0.028 | 0.008 | 17.897 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | J | 45 | ASN | 0 | -0.005 | -0.016 | 19.448 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | J | 46 | THR | 0 | -0.055 | -0.031 | 14.468 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | J | 47 | LEU | 0 | -0.001 | -0.003 | 17.336 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | J | 48 | ARG | 1 | 0.896 | 0.943 | 19.819 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | J | 49 | ALA | 0 | -0.031 | -0.006 | 17.855 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | J | 50 | GLY | 0 | -0.009 | 0.001 | 18.824 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | J | 51 | GLY | 0 | 0.012 | 0.003 | 19.349 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | J | 52 | ILE | 0 | -0.019 | -0.010 | 22.113 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | J | 53 | ALA | 0 | -0.051 | -0.026 | 24.531 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | J | 54 | ASP | -1 | -0.883 | -0.944 | 27.727 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | J | 55 | VAL | 0 | 0.044 | 0.023 | 23.242 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | J | 56 | ARG | 1 | 0.830 | 0.906 | 26.574 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | J | 57 | ILE | 0 | 0.033 | 0.019 | 23.932 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | J | 58 | ALA | 0 | -0.033 | -0.011 | 27.239 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | J | 59 | PRO | 0 | -0.015 | -0.004 | 29.362 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | J | 60 | ALA | 0 | 0.020 | 0.013 | 30.474 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | J | 78 | LYS | 1 | 1.002 | 0.973 | 33.738 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | J | 79 | ALA | 0 | 0.098 | 0.061 | 31.749 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | J | 80 | MET | 0 | 0.005 | -0.006 | 30.243 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | J | 81 | GLU | -1 | -0.973 | -0.978 | 33.704 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | J | 82 | TRP | 0 | 0.099 | 0.050 | 30.052 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | J | 83 | ALA | 0 | 0.044 | 0.044 | 31.320 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | J | 84 | ARG | 1 | 0.964 | 0.979 | 33.081 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | J | 85 | SER | 0 | -0.067 | -0.045 | 36.008 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | J | 86 | GLN | 0 | -0.042 | -0.002 | 33.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | J | 87 | ASN | 0 | -0.045 | -0.020 | 34.322 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | J | 88 | ALA | 0 | -0.025 | -0.012 | 29.777 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | J | 89 | ARG | 1 | 0.923 | 0.962 | 29.606 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | J | 90 | TYR | 0 | -0.004 | -0.015 | 25.583 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | J | 91 | VAL | 0 | 0.003 | -0.007 | 25.951 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | J | 92 | LEU | 0 | -0.039 | 0.004 | 18.539 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | J | 93 | SER | 0 | 0.023 | 0.004 | 22.207 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | J | 94 | GLY | 0 | 0.043 | 0.008 | 19.398 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | J | 95 | ALA | 0 | -0.003 | 0.016 | 18.500 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | J | 96 | VAL | 0 | -0.027 | -0.009 | 15.756 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | J | 97 | GLU | -1 | -0.811 | -0.902 | 14.488 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | J | 98 | GLU | -1 | -0.934 | -0.975 | 10.322 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | J | 99 | TRP | 0 | 0.036 | -0.001 | 13.493 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | J | 100 | ARG | 1 | 0.961 | 1.000 | 13.175 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | J | 101 | TYR | 0 | 0.055 | 0.044 | 12.644 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | J | 102 | LYS | 1 | 0.847 | 0.922 | 8.011 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | J | 103 | THR | 0 | -0.022 | -0.011 | 13.069 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | J | 104 | GLY | 0 | 0.049 | 0.025 | 15.615 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | J | 105 | VAL | 0 | 0.013 | -0.003 | 17.104 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | J | 106 | ASP | -1 | -0.932 | -0.959 | 14.822 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | J | 107 | GLY | 0 | -0.007 | 0.012 | 13.053 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | J | 108 | GLU | -1 | -0.838 | -0.930 | 7.412 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | J | 109 | PRO | 0 | -0.070 | -0.016 | 9.140 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | J | 110 | VAL | 0 | -0.019 | -0.004 | 7.149 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | J | 111 | VAL | 0 | -0.004 | -0.016 | 8.484 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | J | 112 | GLY | 0 | -0.002 | -0.008 | 9.199 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | J | 113 | VAL | 0 | -0.020 | -0.002 | 11.498 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | J | 114 | THR | 0 | -0.025 | -0.023 | 12.958 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | J | 115 | PHE | 0 | -0.008 | -0.020 | 13.785 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | J | 116 | GLU | -1 | -0.918 | -0.971 | 17.738 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | J | 117 | LEU | 0 | -0.019 | -0.016 | 20.805 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | J | 118 | ILE | 0 | -0.026 | -0.023 | 22.702 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | J | 119 | ASP | -1 | -0.801 | -0.855 | 26.441 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | J | 120 | VAL | 0 | -0.024 | -0.019 | 29.108 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | J | 121 | SER | 0 | -0.137 | -0.106 | 31.825 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | J | 122 | ASN | 0 | 0.028 | -0.005 | 32.024 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | J | 123 | GLY | 0 | -0.068 | -0.026 | 31.539 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | J | 124 | ALA | 0 | 0.006 | 0.012 | 29.661 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | J | 125 | VAL | 0 | 0.031 | 0.016 | 23.244 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | J | 126 | VAL | 0 | -0.028 | -0.014 | 24.455 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | J | 127 | TRP | 0 | 0.014 | -0.016 | 15.154 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | J | 128 | SER | 0 | 0.002 | 0.021 | 18.804 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | J | 129 | ALA | 0 | -0.008 | -0.004 | 13.330 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | J | 130 | THR | 0 | 0.037 | 0.022 | 11.358 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | J | 131 | GLY | 0 | -0.031 | -0.025 | 8.738 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | J | 132 | THR | 0 | 0.022 | 0.015 | 6.996 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | J | 133 | ARG | 1 | 0.910 | 0.951 | 3.659 | -2.326 | -1.019 | 0.224 | -0.354 | -1.176 | 0.001 |
114 | J | 134 | THR | 0 | 0.000 | 0.014 | 3.086 | -0.802 | 0.103 | 0.044 | -0.321 | -0.628 | 0.000 |
115 | J | 135 | GLY | 0 | -0.043 | -0.021 | 3.545 | 0.079 | 0.981 | 0.019 | -0.304 | -0.618 | -0.002 |
116 | J | 136 | TRP | 0 | -0.007 | -0.022 | 5.360 | -0.644 | -0.644 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | J | 137 | SER | 0 | 0.117 | 0.058 | 8.085 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | J | 138 | ARG | 1 | 0.962 | 0.997 | 11.345 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | J | 139 | SER | 0 | -0.069 | -0.034 | 9.245 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | J | 140 | GLY | 0 | 0.088 | 0.040 | 11.374 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | J | 141 | LEU | 0 | 0.041 | -0.004 | 11.460 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | J | 142 | SER | 0 | 0.025 | 0.016 | 12.264 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | J | 143 | SER | 0 | 0.008 | 0.004 | 10.420 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | J | 144 | VAL | 0 | -0.004 | -0.004 | 6.975 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | J | 145 | ALA | 0 | 0.037 | 0.023 | 8.347 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | J | 146 | THR | 0 | 0.011 | 0.000 | 11.005 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | J | 147 | SER | 0 | -0.039 | -0.023 | 6.602 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | J | 148 | LEU | 0 | -0.082 | -0.024 | 6.115 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | J | 149 | ILE | 0 | 0.055 | 0.024 | 7.753 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | J | 150 | ALA | 0 | 0.029 | 0.021 | 10.418 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | J | 151 | LYS | 1 | 0.937 | 0.966 | 4.915 | 0.609 | 0.609 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | J | 152 | VAL | 0 | -0.015 | -0.003 | 8.924 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | J | 153 | LEU | 0 | 0.047 | 0.014 | 10.837 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | J | 154 | SER | 0 | -0.009 | 0.002 | 11.472 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | J | 155 | PRO | 0 | -0.049 | -0.026 | 13.226 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | J | 156 | LEU | 0 | -0.024 | -0.003 | 16.442 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | J | 157 | GLN | 0 | -0.031 | -0.004 | 15.249 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | J | 158 | ALA | 0 | -0.043 | -0.012 | 19.320 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | J | 159 | ARG | 1 | 0.838 | 0.925 | 19.689 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |