![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 85JGY
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 | 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 | 139 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -1105002.613102 |
---|---|
FMO2-HF: Nuclear repulsion | 1054576.228805 |
FMO2-HF: Total energy | -50426.384296 |
FMO2-MP2: Total energy | -50575.243526 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F024526/ligand_interaction/ligand_F024526.png)
Ligand Interaction
![ligand interaction](./Kdata/F024526/ligand_interaction/ligand_interaction_F024526.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. |
-5.078 | 0.923 | 0.651 | -2.711 | -3.941 | -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 | -0.074 | -0.035 | 3.023 | -2.671 | -0.103 | 0.159 | -1.452 | -1.275 | -0.004 |
4 | J | 7 | VAL | 0 | 0.032 | 0.007 | 5.449 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | J | 8 | ARG | 1 | 0.878 | 0.943 | 8.297 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | J | 9 | GLN | 0 | -0.013 | -0.018 | 11.422 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | J | 10 | THR | 0 | 0.002 | 0.010 | 14.612 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | J | 11 | SER | 0 | 0.040 | 0.012 | 18.254 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | J | 12 | GLY | 0 | 0.016 | 0.009 | 20.804 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | J | 13 | PRO | 0 | 0.018 | 0.027 | 22.529 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | J | 14 | ALA | 0 | -0.023 | -0.012 | 23.189 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | J | 15 | LEU | 0 | 0.003 | 0.022 | 22.196 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | J | 16 | ALA | 0 | 0.056 | 0.022 | 25.220 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | J | 17 | ARG | 1 | 0.903 | 0.930 | 26.184 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | J | 18 | GLY | 0 | -0.008 | -0.009 | 27.766 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | J | 19 | ASP | -1 | -0.807 | -0.884 | 27.230 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | J | 20 | LYS | 1 | 0.850 | 0.926 | 27.505 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | J | 21 | VAL | 0 | 0.008 | 0.006 | 23.354 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | J | 22 | ALA | 0 | -0.013 | -0.009 | 26.718 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | J | 23 | VAL | 0 | 0.005 | 0.001 | 22.161 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | J | 24 | VAL | 0 | -0.028 | -0.032 | 24.699 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | J | 25 | SER | 0 | 0.023 | 0.020 | 25.192 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | J | 26 | ILE | 0 | -0.043 | -0.002 | 18.969 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | J | 27 | ALA | 0 | 0.019 | 0.018 | 22.324 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | J | 28 | ASN | 0 | 0.015 | -0.008 | 20.320 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | J | 29 | TYR | 0 | -0.028 | -0.013 | 19.105 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | J | 30 | THR | 0 | -0.048 | -0.026 | 16.438 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | J | 31 | GLU | -1 | -0.868 | -0.935 | 19.071 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | J | 32 | THR | 0 | -0.060 | -0.033 | 17.333 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | J | 33 | PRO | 0 | 0.035 | 0.010 | 20.487 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | J | 34 | ASP | -1 | -0.832 | -0.910 | 22.321 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | J | 35 | ALA | 0 | 0.012 | 0.026 | 18.286 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | J | 36 | GLY | 0 | 0.042 | 0.028 | 19.153 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | J | 37 | HIS | 0 | 0.004 | -0.013 | 20.888 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | J | 38 | SER | 0 | -0.062 | -0.028 | 18.860 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | J | 39 | ALA | 0 | 0.012 | 0.002 | 16.956 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | J | 40 | GLU | -1 | -0.836 | -0.924 | 17.907 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | J | 41 | SER | 0 | -0.019 | -0.019 | 20.910 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | J | 42 | ILE | 0 | -0.032 | -0.018 | 14.424 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | J | 43 | ALA | 0 | 0.020 | 0.023 | 17.163 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | J | 44 | ALA | 0 | 0.028 | 0.008 | 18.072 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | J | 45 | ASN | 0 | 0.006 | -0.005 | 19.376 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | J | 46 | THR | 0 | -0.037 | -0.020 | 14.604 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | J | 47 | LEU | 0 | 0.004 | 0.004 | 17.471 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | J | 48 | ARG | 1 | 0.836 | 0.907 | 20.225 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | J | 49 | ALA | 0 | -0.016 | -0.007 | 18.204 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | J | 50 | GLY | 0 | -0.006 | 0.005 | 18.743 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | J | 51 | GLY | 0 | 0.055 | 0.024 | 19.379 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | J | 52 | ILE | 0 | -0.010 | 0.004 | 22.588 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | J | 53 | ALA | 0 | -0.055 | -0.031 | 24.984 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | J | 54 | ASP | -1 | -0.823 | -0.876 | 28.263 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | J | 55 | VAL | 0 | 0.039 | 0.028 | 23.155 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | J | 56 | ARG | 1 | 0.813 | 0.892 | 26.566 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | J | 57 | ILE | 0 | 0.044 | 0.018 | 24.144 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | J | 58 | ALA | 0 | -0.002 | 0.000 | 27.325 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | J | 59 | PRO | 0 | -0.021 | 0.001 | 29.603 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | J | 60 | ALA | 0 | 0.007 | 0.007 | 29.915 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | J | 78 | LYS | 1 | 1.051 | 1.024 | 33.085 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | J | 79 | ALA | 0 | 0.028 | -0.001 | 31.307 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | J | 80 | MET | 0 | 0.031 | 0.012 | 30.172 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | J | 81 | GLU | -1 | -0.847 | -0.897 | 33.568 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | J | 82 | TRP | 0 | 0.035 | 0.026 | 29.708 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | J | 83 | ALA | 0 | 0.050 | 0.034 | 31.364 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | J | 84 | ARG | 1 | 0.900 | 0.928 | 33.008 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | J | 85 | SER | 0 | -0.049 | -0.028 | 36.266 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | J | 86 | GLN | 0 | -0.038 | -0.013 | 32.771 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | J | 87 | ASN | 0 | -0.077 | -0.040 | 34.571 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | J | 88 | ALA | 0 | -0.025 | -0.013 | 29.995 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | J | 89 | ARG | 1 | 0.888 | 0.940 | 29.412 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | J | 90 | TYR | 0 | -0.042 | -0.044 | 25.640 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | J | 91 | VAL | 0 | 0.010 | 0.003 | 26.071 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | J | 92 | LEU | 0 | -0.047 | -0.012 | 18.830 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | J | 93 | SER | 0 | 0.020 | -0.014 | 22.305 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | J | 94 | GLY | 0 | 0.031 | 0.010 | 19.289 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | J | 95 | ALA | 0 | -0.035 | -0.004 | 18.449 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | J | 96 | VAL | 0 | 0.001 | 0.008 | 15.718 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | J | 97 | GLU | -1 | -0.812 | -0.895 | 14.386 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | J | 98 | GLU | -1 | -0.910 | -0.974 | 10.327 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | J | 99 | TRP | 0 | 0.034 | 0.003 | 13.501 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | J | 100 | ARG | 1 | 0.877 | 0.949 | 12.783 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | J | 101 | TYR | 0 | 0.050 | 0.035 | 12.212 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | J | 102 | LYS | 1 | 0.831 | 0.907 | 7.796 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | J | 103 | THR | 0 | 0.003 | -0.002 | 12.671 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | J | 104 | GLY | 0 | 0.034 | 0.017 | 15.164 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | J | 105 | VAL | 0 | -0.002 | -0.009 | 16.886 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | J | 106 | ASP | -1 | -0.923 | -0.963 | 14.235 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | J | 107 | GLY | 0 | 0.000 | 0.006 | 12.408 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | J | 108 | GLU | -1 | -0.810 | -0.891 | 6.787 | -0.410 | -0.410 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | J | 109 | PRO | 0 | -0.065 | -0.019 | 8.907 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | J | 110 | VAL | 0 | -0.015 | -0.008 | 6.523 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | J | 111 | VAL | 0 | -0.012 | -0.011 | 8.456 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | J | 112 | GLY | 0 | -0.012 | -0.014 | 9.222 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | J | 113 | VAL | 0 | 0.010 | 0.005 | 11.300 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | J | 114 | THR | 0 | -0.026 | -0.030 | 13.225 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | J | 115 | PHE | 0 | 0.017 | -0.014 | 14.152 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | J | 116 | GLU | -1 | -0.927 | -0.969 | 17.650 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | J | 117 | LEU | 0 | -0.009 | -0.002 | 20.797 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | J | 118 | ILE | 0 | 0.008 | 0.002 | 22.960 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | J | 119 | ASP | -1 | -0.794 | -0.870 | 26.715 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | J | 120 | VAL | 0 | -0.010 | -0.014 | 29.355 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | J | 121 | SER | 0 | -0.086 | -0.057 | 32.089 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | J | 122 | ASN | 0 | -0.042 | -0.035 | 31.993 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | J | 123 | GLY | 0 | -0.023 | -0.007 | 31.534 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | J | 124 | ALA | 0 | 0.018 | 0.019 | 29.677 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | J | 125 | VAL | 0 | -0.003 | -0.001 | 23.123 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | J | 126 | VAL | 0 | -0.042 | -0.026 | 24.909 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | J | 127 | TRP | 0 | -0.004 | -0.018 | 15.168 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | J | 128 | SER | 0 | -0.007 | 0.006 | 18.899 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | J | 129 | ALA | 0 | -0.007 | -0.003 | 13.413 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | J | 130 | THR | 0 | 0.006 | 0.002 | 11.928 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | J | 131 | GLY | 0 | -0.024 | -0.015 | 9.087 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | J | 132 | THR | 0 | 0.019 | 0.015 | 7.027 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | J | 133 | ARG | 1 | 0.830 | 0.914 | 3.444 | -1.339 | -0.271 | 0.184 | -0.264 | -0.989 | 0.001 |
114 | J | 134 | THR | 0 | 0.016 | 0.025 | 2.593 | -1.110 | 0.224 | 0.265 | -0.604 | -0.994 | 0.001 |
115 | J | 135 | GLY | 0 | -0.006 | -0.002 | 3.395 | 0.237 | 1.268 | 0.043 | -0.391 | -0.683 | -0.003 |
116 | J | 136 | TRP | 0 | -0.031 | -0.027 | 5.488 | -0.378 | -0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | J | 137 | SER | 0 | 0.093 | 0.050 | 7.953 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | J | 138 | ARG | 1 | 0.944 | 0.982 | 11.330 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | J | 139 | SER | 0 | -0.052 | -0.035 | 9.381 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | J | 140 | GLY | 0 | 0.099 | 0.046 | 11.762 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | J | 141 | LEU | 0 | 0.028 | 0.002 | 11.786 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | J | 142 | SER | 0 | 0.038 | 0.024 | 12.322 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | J | 143 | SER | 0 | 0.021 | 0.021 | 10.907 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | J | 144 | VAL | 0 | 0.005 | 0.013 | 6.929 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | J | 145 | ALA | 0 | 0.046 | 0.029 | 8.334 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | J | 146 | THR | 0 | -0.010 | -0.021 | 11.076 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | J | 147 | SER | 0 | -0.041 | -0.039 | 6.719 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | J | 148 | LEU | 0 | -0.078 | -0.020 | 6.107 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | J | 149 | ILE | 0 | 0.047 | 0.013 | 7.928 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | J | 150 | ALA | 0 | 0.018 | 0.012 | 10.280 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | J | 151 | LYS | 1 | 0.958 | 0.982 | 5.751 | 0.693 | 0.693 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | J | 152 | VAL | 0 | 0.001 | 0.001 | 9.080 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | J | 153 | LEU | 0 | 0.045 | 0.020 | 11.066 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | J | 154 | SER | 0 | -0.022 | -0.005 | 11.704 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | J | 155 | PRO | 0 | -0.039 | -0.018 | 13.494 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | J | 156 | LEU | 0 | -0.009 | -0.007 | 16.693 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | J | 157 | GLN | 0 | -0.012 | 0.001 | 15.509 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | J | 158 | ALA | 0 | -0.053 | -0.004 | 19.505 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | J | 159 | ARG | 1 | 0.805 | 0.894 | 20.140 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |