![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 2K1JR
Calculation Name: 3BT3-A-Xray308
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3BT3
Chain ID: A
UniProt ID: A9KJQ6
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 | 133 |
LigandCharge | |
Software | ABINIT-MP - Open Ver.1 Rev. 15 / 20190524 |
Total energy (hartree)
FMO2-HF: Electronic energy | -1130518.646961 |
---|---|
FMO2-HF: Nuclear repulsion | 1077515.329807 |
FMO2-HF: Total energy | -53003.317154 |
FMO2-MP2: Total energy | -53156.609963 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F015267/ligand_interaction/ligand_F015267.png)
Ligand Interaction
![ligand interaction](./Kdata/F015267/ligand_interaction/ligand_interaction_F015267.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:133:ACE )
Summations of interaction energy for
fragment #1(A:133: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. |
1.545 | 2.21 | -0.005 | -0.372 | -0.287 | 0.001 |
Interaction energy analysis for fragmet #1(A:133: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 | 135 | ARG | 1 | 0.935 | 0.937 | 3.840 | 1.618 | 2.283 | -0.005 | -0.372 | -0.287 | 0.001 |
4 | A | 136 | GLY | 0 | 0.001 | 0.012 | 7.126 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 137 | TYR | 0 | 0.032 | 0.014 | 6.229 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 138 | VAL | 0 | -0.018 | -0.008 | 7.052 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 139 | VAL | 0 | 0.034 | 0.012 | 7.878 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 140 | ARG | 1 | 0.906 | 0.953 | 10.035 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 141 | GLU | -1 | -0.859 | -0.933 | 13.300 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 142 | ASN | 0 | -0.058 | -0.046 | 12.558 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 143 | GLY | 0 | 0.041 | 0.050 | 14.852 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 144 | PRO | 0 | 0.001 | 0.004 | 18.275 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 145 | VAL | 0 | 0.012 | 0.006 | 19.421 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 146 | TYR | 0 | -0.015 | -0.027 | 21.758 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 147 | PHE | 0 | -0.040 | -0.017 | 23.417 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 148 | THR | 0 | 0.020 | -0.004 | 28.092 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 149 | LYS | 1 | 0.919 | 0.956 | 31.785 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 150 | ASP | -1 | -0.866 | -0.938 | 35.088 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 151 | MET | 0 | -0.001 | 0.035 | 31.581 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 152 | ASP | -1 | -0.760 | -0.872 | 34.379 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 153 | LYS | 1 | 0.917 | 0.972 | 37.236 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 154 | THR | 0 | -0.036 | -0.046 | 31.275 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 155 | VAL | 0 | 0.022 | -0.003 | 32.356 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 156 | LYS | 1 | 0.984 | 0.999 | 34.276 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 157 | TRP | 0 | 0.027 | 0.032 | 31.685 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 158 | PHE | 0 | -0.022 | -0.029 | 28.437 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 159 | GLU | -1 | -0.940 | -0.958 | 33.542 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 160 | GLU | -1 | -0.977 | -1.003 | 36.021 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 161 | ILE | 0 | -0.056 | -0.018 | 36.208 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 162 | LEU | 0 | -0.047 | -0.040 | 30.505 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 163 | GLY | 0 | -0.011 | 0.018 | 33.729 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 164 | TRP | 0 | -0.066 | -0.040 | 25.712 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 165 | SER | 0 | 0.024 | 0.006 | 31.254 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 166 | GLY | 0 | -0.001 | -0.014 | 30.907 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 167 | ASP | -1 | -0.961 | -0.968 | 31.385 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 168 | ILE | 0 | -0.066 | -0.031 | 31.282 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 169 | VAL | 0 | 0.023 | 0.010 | 29.248 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 170 | ALA | 0 | -0.031 | -0.020 | 31.926 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 171 | ARG | 1 | 0.770 | 0.863 | 33.657 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 172 | ASP | -1 | -0.752 | -0.860 | 36.382 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 173 | ASP | -1 | -0.964 | -0.999 | 37.783 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 174 | GLU | -1 | -1.007 | -0.998 | 40.784 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 175 | GLY | 0 | -0.039 | -0.006 | 40.862 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 176 | PHE | 0 | -0.037 | -0.012 | 37.297 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 177 | GLY | 0 | -0.016 | -0.002 | 34.388 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 178 | ASP | -1 | -0.886 | -0.965 | 31.471 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 179 | TYR | 0 | -0.046 | -0.062 | 23.676 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 180 | GLY | 0 | 0.055 | 0.009 | 28.214 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 181 | CYS | 0 | -0.102 | -0.018 | 25.836 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 182 | VAL | 0 | 0.067 | 0.037 | 26.880 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 183 | PHE | 0 | -0.006 | -0.033 | 25.816 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 184 | ASP | -1 | -0.872 | -0.931 | 25.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 185 | TYR | 0 | -0.042 | -0.006 | 23.839 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 186 | PRO | 0 | 0.056 | 0.013 | 29.575 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 187 | SER | 0 | 0.085 | 0.022 | 30.650 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 188 | GLU | -1 | -0.991 | -0.984 | 31.225 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 189 | VAL | 0 | -0.048 | -0.025 | 26.036 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 190 | ALA | 0 | 0.048 | 0.012 | 25.680 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 191 | VAL | 0 | -0.032 | 0.004 | 26.525 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 192 | ALA | 0 | -0.037 | -0.017 | 27.993 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 193 | HIS | 0 | -0.046 | -0.066 | 22.230 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 194 | LEU | 0 | 0.172 | 0.163 | 23.251 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 195 | THR | 0 | -0.046 | -0.048 | 18.494 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 196 | PRO | 0 | -0.187 | -0.038 | 17.418 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 197 | PHE | 0 | 0.083 | -0.033 | 19.259 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 198 | ARG | 1 | 0.852 | 0.939 | 19.060 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 199 | GLY | 0 | 0.059 | 0.045 | 20.712 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 200 | PHE | 0 | -0.062 | -0.035 | 21.864 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 201 | HIS | 0 | 0.009 | 0.015 | 19.180 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 202 | LEU | 0 | -0.041 | -0.026 | 23.973 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 203 | PHE | 0 | 0.028 | 0.005 | 22.454 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 204 | LYS | 1 | 0.910 | 0.964 | 27.882 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 205 | GLY | 0 | -0.050 | -0.035 | 30.037 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 206 | GLU | -1 | -0.979 | -1.004 | 31.043 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 207 | PRO | 0 | 0.033 | 0.033 | 29.760 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 208 | ILE | 0 | -0.013 | -0.006 | 24.172 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 209 | LYS | 1 | 0.950 | 0.976 | 28.304 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 210 | GLY | 0 | 0.024 | 0.007 | 27.992 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 211 | VAL | 0 | -0.041 | -0.027 | 23.432 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 212 | ALA | 0 | 0.007 | 0.008 | 23.856 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 213 | GLY | 0 | 0.027 | 0.010 | 22.400 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 214 | PHE | 0 | -0.061 | -0.026 | 19.208 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 215 | MET | 0 | 0.000 | 0.010 | 20.765 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 216 | MET | 0 | -0.008 | 0.003 | 20.318 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 217 | ILE | 0 | -0.020 | -0.019 | 23.447 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 218 | GLU | -1 | -0.925 | -0.961 | 26.671 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 219 | GLY | 0 | -0.023 | 0.001 | 29.406 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 220 | ILE | 0 | -0.008 | -0.020 | 30.463 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 221 | ASP | -1 | -0.845 | -0.918 | 32.813 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 222 | ALA | 0 | -0.027 | -0.013 | 35.497 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 223 | LEU | 0 | 0.030 | 0.023 | 30.944 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 224 | HIS | 0 | 0.012 | -0.001 | 34.884 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 225 | LYS | 1 | 0.922 | 0.965 | 36.938 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 226 | TYR | 0 | -0.011 | 0.010 | 36.510 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 227 | VAL | 0 | 0.023 | 0.010 | 35.136 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 228 | LYS | 1 | 0.878 | 0.946 | 38.326 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 229 | GLU | -1 | -0.915 | -0.969 | 41.523 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 230 | ASN | 0 | -0.111 | -0.040 | 39.495 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 231 | GLY | 0 | -0.010 | 0.002 | 42.473 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 232 | TRP | 0 | -0.054 | -0.012 | 36.505 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 233 | ASP | -1 | -0.819 | -0.946 | 40.743 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 234 | GLN | 0 | -0.119 | -0.042 | 37.887 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 235 | ILE | 0 | -0.004 | -0.013 | 34.486 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 236 | SER | 0 | -0.027 | -0.003 | 34.464 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 237 | ASP | -1 | -0.892 | -0.956 | 36.544 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 238 | ILE | 0 | -0.026 | -0.013 | 33.806 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 239 | TYR | 0 | -0.039 | -0.021 | 31.111 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 240 | THR | 0 | -0.013 | -0.023 | 32.006 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 241 | GLN | 0 | -0.005 | -0.004 | 27.748 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 242 | PRO | 0 | -0.022 | -0.021 | 28.583 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 243 | TRP | 0 | -0.071 | -0.031 | 23.826 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 244 | GLY | 0 | 0.027 | 0.026 | 25.395 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 245 | ALA | 0 | 0.004 | -0.005 | 26.192 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 246 | ARG | 1 | 0.842 | 0.924 | 28.293 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 247 | GLU | -1 | -0.738 | -0.866 | 27.436 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 248 | CYS | 0 | -0.031 | 0.013 | 30.214 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 249 | SER | 0 | -0.019 | -0.013 | 29.999 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 250 | ILE | 0 | 0.024 | 0.012 | 30.905 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 251 | THR | 0 | -0.004 | 0.010 | 31.553 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 252 | THR | 0 | 0.030 | 0.000 | 30.528 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 253 | THR | 0 | -0.016 | -0.003 | 33.653 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 254 | ASP | -1 | -0.838 | -0.887 | 32.406 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 255 | GLY | 0 | -0.013 | -0.001 | 34.098 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 256 | CYS | 0 | -0.054 | -0.007 | 28.368 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 257 | ILE | 0 | 0.003 | 0.011 | 28.545 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 258 | LEU | 0 | 0.000 | 0.001 | 26.263 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 259 | ARG | 1 | 0.801 | 0.869 | 24.258 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 260 | PHE | 0 | 0.045 | 0.024 | 25.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 261 | PHE | 0 | -0.008 | -0.020 | 20.998 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 262 | GLU | -1 | -0.757 | -0.877 | 26.365 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 263 | SER | 0 | -0.031 | -0.017 | 25.090 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 264 | ILE | 0 | -0.036 | -0.017 | 27.173 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 265 | NME | 0 | -0.008 | 0.002 | 28.280 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |