FMODB ID: 2NKKR
Calculation Name: 3CTB-A-Xray372
Preferred Name: Nuclear receptor coactivator 1
Target Type: SINGLE PROTEIN
Ligand Name:
ligand 3-letter code:
PDB ID: 3CTB
Chain ID: A
ChEMBL ID: CHEMBL1615387
UniProt ID: Q15788
Base Structure: X-ray
Registration Date: 2023-09-20
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 | 293 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4499101.236617 |
---|---|
FMO2-HF: Nuclear repulsion | 4377779.880685 |
FMO2-HF: Total energy | -121321.355932 |
FMO2-MP2: Total energy | -121668.729248 |
3D Structure
Ligand structure
Ligand Interaction
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:142:GLY)
Summations of interaction energy for
fragment #1(A:142:GLY)
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. |
0.665 | -1.291 | 8.026 | -2.946 | -3.123 | -0.007 |
Interaction energy analysis for fragmet #1(A:142:GLY)
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 | 144 | THR | 0 | 0.049 | 0.016 | 3.861 | 0.465 | 1.883 | -0.005 | -0.742 | -0.671 | 0.004 |
4 | A | 145 | GLU | -1 | -0.758 | -0.857 | 6.536 | -0.410 | -0.410 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 146 | GLU | -1 | -0.818 | -0.891 | 9.236 | -0.669 | -0.669 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 147 | GLN | 0 | 0.046 | 0.023 | 6.628 | -0.792 | -0.792 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 148 | ARG | 1 | 0.854 | 0.898 | 5.434 | 1.859 | 1.859 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 149 | MET | 0 | -0.053 | 0.000 | 9.656 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 150 | MET | 0 | 0.016 | 0.031 | 12.631 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 151 | ILE | 0 | 0.006 | -0.007 | 9.022 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 152 | ARG | 1 | 0.827 | 0.876 | 11.287 | 0.711 | 0.711 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 153 | GLU | -1 | -0.763 | -0.856 | 14.998 | -0.305 | -0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 154 | LEU | 0 | -0.001 | 0.002 | 15.167 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 155 | MET | 0 | 0.002 | -0.001 | 15.044 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 156 | ASP | -1 | -0.809 | -0.880 | 17.954 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 157 | ALA | 0 | 0.031 | 0.008 | 20.619 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 158 | GLN | 0 | 0.026 | 0.031 | 20.527 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 159 | MET | 0 | -0.048 | -0.019 | 21.939 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 160 | LYS | 1 | 0.815 | 0.882 | 23.723 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 161 | THR | 0 | -0.068 | -0.040 | 25.436 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 162 | PHE | 0 | 0.006 | 0.003 | 24.462 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 163 | ASP | -1 | -0.717 | -0.830 | 27.618 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 164 | THR | 0 | 0.014 | 0.011 | 25.770 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 165 | THR | 0 | -0.007 | -0.013 | 29.166 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 166 | PHE | 0 | -0.041 | -0.033 | 31.599 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 167 | SER | 0 | 0.017 | 0.019 | 34.212 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 168 | HIS | 0 | -0.045 | -0.050 | 34.497 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 169 | PHE | 0 | -0.012 | 0.028 | 36.682 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 170 | LYS | 1 | 0.894 | 0.944 | 38.336 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 171 | ASN | 0 | -0.036 | -0.030 | 42.095 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 172 | PHE | 0 | -0.013 | 0.023 | 41.361 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 173 | ARG | 1 | 0.857 | 0.897 | 44.749 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 174 | LEU | 0 | 0.012 | -0.006 | 45.281 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 175 | PRO | 0 | -0.004 | 0.003 | 47.315 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 176 | GLY | 0 | 0.012 | 0.016 | 50.543 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 177 | VAL | 0 | -0.011 | -0.019 | 54.161 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 178 | LEU | 0 | -0.015 | 0.015 | 56.458 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 192 | SER | 0 | 0.082 | 0.027 | 62.557 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 193 | ARG | 1 | 0.921 | 0.962 | 61.104 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 194 | GLU | -1 | -0.878 | -0.945 | 57.054 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 195 | GLU | -1 | -0.769 | -0.892 | 57.346 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 196 | ALA | 0 | -0.014 | -0.001 | 57.065 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 197 | ALA | 0 | -0.013 | -0.005 | 55.323 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 198 | LYS | 1 | 0.799 | 0.894 | 52.848 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 199 | TRP | 0 | 0.026 | 0.006 | 52.270 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 200 | SER | 0 | -0.035 | -0.010 | 52.932 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 201 | GLN | 0 | -0.058 | -0.039 | 46.293 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 202 | VAL | 0 | 0.057 | 0.026 | 48.303 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 203 | ARG | 1 | 0.828 | 0.878 | 48.321 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 204 | LYS | 1 | 0.891 | 0.951 | 47.259 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 205 | ASP | -1 | -0.778 | -0.862 | 44.344 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 206 | LEU | 0 | 0.031 | 0.014 | 43.508 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 207 | CYS | 0 | -0.037 | -0.027 | 44.875 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 208 | SER | 0 | -0.004 | 0.001 | 41.558 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 209 | LEU | 0 | -0.031 | -0.017 | 37.711 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 210 | LYS | 1 | 0.776 | 0.899 | 41.470 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 211 | VAL | 0 | 0.000 | -0.002 | 39.186 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 212 | SER | 0 | -0.021 | -0.004 | 42.576 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 213 | LEU | 0 | -0.039 | -0.015 | 42.378 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 214 | GLN | 0 | -0.016 | -0.005 | 41.839 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 215 | LEU | 0 | 0.007 | -0.009 | 42.099 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 216 | ARG | 1 | 0.834 | 0.887 | 37.446 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 217 | GLY | 0 | 0.015 | 0.006 | 43.069 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 218 | GLU | -1 | -0.869 | -0.933 | 43.325 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 219 | ASP | -1 | -0.847 | -0.894 | 45.112 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 220 | GLY | 0 | -0.006 | 0.007 | 45.474 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 221 | SER | 0 | -0.099 | -0.061 | 46.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 222 | VAL | 0 | 0.006 | -0.019 | 44.819 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 223 | TRP | 0 | 0.010 | 0.029 | 47.148 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 224 | ASN | 0 | 0.019 | -0.013 | 45.382 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 225 | TYR | 0 | 0.000 | 0.000 | 46.943 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 226 | LYS | 1 | 0.861 | 0.914 | 47.062 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 227 | PRO | 0 | -0.020 | 0.006 | 46.621 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 228 | PRO | 0 | 0.032 | 0.023 | 49.853 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 229 | ALA | 0 | 0.002 | -0.002 | 51.730 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 230 | ASP | -1 | -0.851 | -0.904 | 52.434 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 231 | SER | 0 | -0.036 | -0.019 | 54.289 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 232 | GLY | 0 | -0.032 | -0.020 | 58.067 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 233 | GLY | 0 | -0.007 | -0.019 | 55.966 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 234 | LYS | 1 | 0.848 | 0.911 | 54.328 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 235 | GLU | -1 | -0.703 | -0.839 | 54.069 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 236 | ILE | 0 | -0.014 | 0.001 | 50.412 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 237 | PHE | 0 | 0.014 | -0.002 | 49.106 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 238 | SER | 0 | -0.031 | -0.015 | 49.334 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 239 | LEU | 0 | 0.022 | 0.016 | 43.616 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 240 | LEU | 0 | 0.005 | 0.007 | 44.465 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 241 | PRO | 0 | -0.013 | -0.017 | 44.777 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 242 | HIS | 0 | 0.044 | 0.048 | 41.839 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 243 | MET | 0 | 0.049 | 0.024 | 40.291 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 244 | ALA | 0 | 0.009 | 0.021 | 40.029 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 245 | ASP | -1 | -0.755 | -0.842 | 40.850 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 246 | MET | 0 | 0.007 | 0.015 | 36.066 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 247 | SER | 0 | -0.019 | -0.028 | 36.222 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 248 | THR | 0 | -0.040 | -0.027 | 36.138 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 249 | TYR | 0 | -0.086 | -0.062 | 34.194 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 250 | MET | 0 | 0.034 | 0.013 | 29.817 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 251 | PHE | 0 | 0.022 | -0.011 | 31.795 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 252 | LYS | 1 | 0.908 | 0.973 | 32.822 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 253 | GLY | 0 | 0.050 | 0.047 | 30.664 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 254 | ILE | 0 | -0.013 | -0.015 | 27.049 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 255 | ILE | 0 | 0.000 | -0.014 | 28.465 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 256 | SER | 0 | -0.045 | -0.034 | 29.906 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 257 | PHE | 0 | -0.032 | -0.019 | 20.763 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 258 | ALA | 0 | 0.037 | 0.006 | 24.862 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 259 | LYS | 1 | 0.824 | 0.906 | 25.866 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 260 | VAL | 0 | -0.032 | -0.002 | 23.185 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 261 | ILE | 0 | -0.017 | 0.016 | 20.475 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 262 | SER | 0 | -0.018 | -0.046 | 20.501 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 263 | TYR | 0 | 0.012 | -0.031 | 15.946 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 264 | PHE | 0 | -0.027 | -0.014 | 22.312 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 265 | ARG | 1 | 0.826 | 0.909 | 23.525 | 0.283 | 0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 266 | ASP | -1 | -0.923 | -0.948 | 24.608 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 267 | LEU | 0 | -0.069 | -0.014 | 25.873 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 268 | PRO | 0 | 0.014 | 0.004 | 29.084 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 269 | ILE | 0 | 0.048 | 0.022 | 32.695 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 270 | GLU | -1 | -0.758 | -0.881 | 34.837 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 271 | ASP | -1 | -0.746 | -0.868 | 30.640 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 272 | GLN | 0 | -0.019 | -0.012 | 29.663 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 273 | ILE | 0 | -0.005 | -0.013 | 31.435 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 274 | SER | 0 | -0.012 | -0.022 | 33.088 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 275 | LEU | 0 | -0.023 | -0.002 | 26.653 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 276 | LEU | 0 | -0.023 | -0.009 | 29.322 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 277 | LYS | 1 | 0.793 | 0.884 | 31.270 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 278 | GLY | 0 | -0.022 | 0.001 | 31.871 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 279 | ALA | 0 | 0.031 | 0.015 | 27.480 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 280 | ALA | 0 | 0.017 | 0.010 | 29.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 281 | PHE | 0 | 0.032 | 0.010 | 30.584 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 282 | GLU | -1 | -0.723 | -0.802 | 27.039 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 283 | LEU | 0 | 0.027 | 0.015 | 24.282 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 284 | CYS | 0 | -0.058 | -0.013 | 26.695 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 285 | GLN | 0 | 0.014 | 0.019 | 28.964 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 286 | LEU | 0 | -0.009 | -0.010 | 22.524 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 287 | ARG | 1 | 0.840 | 0.919 | 24.249 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 288 | PHE | 0 | 0.021 | 0.007 | 26.314 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 289 | ASN | 0 | -0.020 | -0.011 | 24.914 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 290 | THR | 0 | -0.010 | -0.013 | 22.968 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 291 | VAL | 0 | 0.002 | -0.001 | 25.403 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 292 | PHE | 0 | -0.027 | -0.005 | 28.648 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 293 | ASN | 0 | 0.000 | 0.007 | 29.046 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 294 | ALA | 0 | 0.026 | 0.010 | 29.980 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 295 | GLU | -1 | -0.921 | -0.980 | 30.551 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 296 | THR | 0 | -0.018 | -0.012 | 34.140 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 297 | GLY | 0 | 0.009 | 0.029 | 35.187 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 298 | THR | 0 | -0.026 | -0.039 | 34.811 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 299 | TRP | 0 | -0.029 | -0.006 | 31.343 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 300 | GLU | -1 | -0.831 | -0.923 | 32.780 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 301 | CYS | 0 | -0.042 | -0.008 | 33.035 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 302 | GLY | 0 | 0.057 | 0.020 | 33.836 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 303 | ARG | 1 | 0.816 | 0.903 | 35.063 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 304 | LEU | 0 | -0.016 | 0.005 | 38.014 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 305 | SER | 0 | -0.015 | 0.002 | 37.452 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 306 | TYR | 0 | -0.031 | -0.036 | 36.609 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 307 | CYS | 0 | 0.007 | 0.018 | 37.727 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 308 | LEU | 0 | 0.009 | -0.005 | 36.755 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 309 | GLU | -1 | -0.781 | -0.897 | 40.515 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 310 | ASP | -1 | -0.793 | -0.901 | 44.082 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 311 | THR | 0 | -0.076 | -0.033 | 44.197 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 312 | ALA | 0 | -0.005 | -0.011 | 42.633 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 313 | GLY | 0 | 0.018 | 0.027 | 42.664 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 314 | GLY | 0 | 0.012 | 0.000 | 42.213 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 315 | PHE | 0 | 0.025 | 0.004 | 35.524 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 316 | GLN | 0 | -0.014 | -0.003 | 38.181 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 317 | GLN | 0 | 0.010 | 0.010 | 39.727 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 318 | LEU | 0 | 0.041 | 0.020 | 37.665 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 319 | LEU | 0 | -0.043 | -0.033 | 33.940 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 320 | LEU | 0 | -0.040 | -0.008 | 36.418 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 321 | GLU | -1 | -0.775 | -0.851 | 37.253 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 322 | PRO | 0 | 0.001 | -0.006 | 34.423 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 323 | MET | 0 | 0.029 | 0.012 | 33.024 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 324 | LEU | 0 | 0.019 | 0.006 | 32.542 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 325 | LYS | 1 | 0.886 | 0.936 | 30.771 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 326 | PHE | 0 | -0.010 | -0.016 | 25.823 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 327 | HIS | 0 | 0.034 | 0.025 | 28.007 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 328 | TYR | 0 | 0.017 | 0.004 | 28.123 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 329 | MET | 0 | -0.105 | -0.052 | 26.812 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 330 | LEU | 0 | -0.007 | 0.001 | 21.744 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 331 | LYS | 1 | 0.886 | 0.948 | 23.087 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 332 | LYS | 1 | 0.938 | 0.971 | 23.746 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 333 | LEU | 0 | -0.082 | -0.044 | 19.570 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 334 | GLN | 0 | -0.050 | -0.020 | 19.083 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 335 | LEU | 0 | -0.018 | 0.004 | 16.782 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 336 | HIS | 0 | 0.053 | 0.040 | 12.413 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 337 | GLU | -1 | -0.869 | -0.939 | 16.168 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 338 | GLU | -1 | -0.843 | -0.942 | 11.877 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 339 | GLU | -1 | -0.787 | -0.862 | 12.770 | -0.261 | -0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 340 | TYR | 0 | 0.012 | -0.018 | 15.050 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 341 | VAL | 0 | -0.024 | -0.008 | 16.189 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 342 | LEU | 0 | 0.011 | 0.013 | 11.884 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 343 | MET | 0 | -0.051 | -0.016 | 16.426 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 344 | GLN | 0 | -0.027 | -0.020 | 19.294 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 345 | ALA | 0 | 0.026 | 0.024 | 17.958 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 346 | ILE | 0 | -0.005 | -0.009 | 16.134 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 347 | SER | 0 | -0.025 | -0.024 | 20.294 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 348 | LEU | 0 | 0.008 | 0.002 | 23.367 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 349 | PHE | 0 | -0.012 | -0.014 | 21.580 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 350 | SER | 0 | 0.004 | -0.002 | 23.445 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 351 | PRO | 0 | 0.018 | 0.006 | 24.128 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 352 | ASP | -1 | -0.798 | -0.874 | 27.010 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 353 | ARG | 1 | 0.745 | 0.853 | 26.601 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 354 | PRO | 0 | -0.027 | -0.033 | 31.626 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 355 | GLY | 0 | 0.000 | 0.005 | 35.417 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 356 | VAL | 0 | -0.032 | -0.002 | 29.490 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 357 | LEU | 0 | -0.022 | 0.000 | 32.914 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 358 | GLN | 0 | -0.005 | -0.012 | 29.094 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 359 | HIS | 0 | -0.052 | -0.036 | 28.296 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 360 | ARG | 1 | 0.956 | 0.959 | 23.584 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 361 | VAL | 0 | -0.011 | 0.002 | 24.810 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 362 | VAL | 0 | 0.018 | 0.008 | 23.435 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 363 | ASP | -1 | -0.898 | -0.949 | 22.694 | -0.386 | -0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 364 | GLN | 0 | 0.046 | 0.024 | 20.038 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 365 | LEU | 0 | -0.031 | 0.013 | 18.642 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 366 | GLN | 0 | -0.034 | -0.027 | 18.148 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 367 | GLU | -1 | -0.933 | -0.962 | 15.939 | -0.640 | -0.640 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 368 | GLN | 0 | -0.014 | -0.014 | 14.036 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 369 | PHE | 0 | 0.037 | 0.019 | 13.262 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 370 | ALA | 0 | 0.000 | -0.004 | 13.855 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 371 | ILE | 0 | -0.015 | -0.014 | 9.663 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 372 | THR | 0 | -0.032 | -0.027 | 9.325 | -0.394 | -0.394 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 373 | LEU | 0 | -0.008 | 0.006 | 9.219 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 374 | LYS | 1 | 0.831 | 0.892 | 9.098 | 0.956 | 0.956 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 375 | SER | 0 | 0.018 | -0.021 | 4.862 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 376 | TYR | 0 | -0.057 | -0.028 | 5.330 | -0.435 | -0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 377 | ILE | 0 | -0.002 | -0.007 | 7.157 | 0.397 | 0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 378 | GLU | -1 | -0.876 | -0.918 | 5.640 | -1.101 | -1.101 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 379 | CYS | 0 | -0.069 | -0.012 | 2.592 | 0.935 | -2.558 | 8.032 | -2.197 | -2.341 | -0.011 |
226 | A | 380 | ASN | 0 | -0.041 | -0.010 | 4.837 | 0.773 | 0.892 | -0.001 | -0.007 | -0.111 | 0.000 |
227 | A | 381 | ARG | 1 | 0.769 | 0.844 | 7.727 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 382 | PRO | 0 | -0.015 | -0.004 | 10.349 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 383 | GLN | 0 | 0.123 | 0.051 | 10.388 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 384 | PRO | 0 | -0.016 | -0.006 | 11.865 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 385 | ALA | 0 | -0.019 | -0.002 | 15.143 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 386 | HIS | 0 | 0.013 | -0.005 | 12.737 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 387 | ARG | 1 | 0.938 | 0.990 | 13.000 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 388 | PHE | 0 | 0.004 | -0.013 | 14.043 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 389 | LEU | 0 | -0.001 | 0.006 | 14.053 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 390 | PHE | 0 | 0.092 | 0.044 | 12.861 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 391 | LEU | 0 | 0.019 | 0.008 | 14.974 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 392 | LYS | 1 | 0.933 | 0.970 | 18.160 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 393 | ILE | 0 | 0.060 | 0.035 | 15.740 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 394 | MET | 0 | 0.042 | 0.023 | 17.676 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 395 | ALA | 0 | -0.014 | 0.006 | 20.397 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 396 | MET | 0 | -0.029 | -0.014 | 22.667 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 397 | LEU | 0 | 0.025 | 0.006 | 20.134 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 398 | THR | 0 | -0.034 | -0.018 | 24.164 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 399 | GLU | -1 | -0.895 | -0.944 | 26.450 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 400 | LEU | 0 | -0.038 | -0.011 | 25.787 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 401 | ARG | 1 | 0.871 | 0.923 | 27.380 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 402 | SER | 0 | -0.005 | 0.003 | 29.791 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 403 | ILE | 0 | -0.001 | -0.007 | 30.689 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 404 | ASN | 0 | -0.040 | -0.031 | 31.000 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 405 | ALA | 0 | 0.007 | 0.016 | 33.502 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 406 | GLN | 0 | -0.035 | -0.033 | 35.354 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 407 | HIS | 0 | 0.004 | 0.009 | 36.015 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 408 | THR | 0 | -0.001 | -0.006 | 36.643 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 409 | GLN | 0 | -0.032 | -0.022 | 39.243 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 410 | ARG | 1 | 0.760 | 0.885 | 39.033 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 411 | LEU | 0 | -0.019 | -0.003 | 39.944 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 412 | LEU | 0 | 0.016 | -0.003 | 42.676 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 413 | ARG | 1 | 0.831 | 0.891 | 43.820 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 414 | ILE | 0 | -0.006 | -0.006 | 44.136 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 415 | GLN | 0 | 0.056 | 0.021 | 46.472 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 416 | ASP | -1 | -0.875 | -0.919 | 48.453 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 417 | ILE | 0 | 0.024 | 0.019 | 51.377 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 418 | HIS | 0 | -0.046 | -0.026 | 49.856 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 419 | PRO | 0 | 0.010 | 0.020 | 49.691 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 420 | PHE | 0 | -0.042 | -0.025 | 43.009 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 421 | ALA | 0 | -0.004 | 0.000 | 43.730 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 422 | THR | 0 | 0.013 | -0.025 | 41.931 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 423 | PRO | 0 | 0.059 | 0.015 | 43.885 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 424 | LEU | 0 | 0.027 | 0.018 | 36.995 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 425 | MET | 0 | -0.008 | 0.032 | 39.565 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 426 | GLN | 0 | -0.040 | -0.017 | 40.719 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 427 | GLU | -1 | -0.746 | -0.857 | 40.733 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 428 | LEU | 0 | -0.018 | -0.015 | 34.837 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 429 | PHE | 0 | 0.035 | 0.005 | 36.285 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 430 | GLY | 0 | -0.030 | -0.002 | 39.943 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 431 | ILE | 0 | -0.062 | -0.012 | 42.515 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 432 | THR | 0 | -0.014 | -0.010 | 45.658 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 444 | SER | 0 | 0.095 | 0.042 | 43.779 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 445 | LEU | 0 | -0.066 | -0.018 | 37.328 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 446 | THR | 0 | 0.031 | -0.011 | 39.239 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 447 | GLU | -1 | -0.974 | -0.978 | 41.373 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 448 | ARG | 1 | 0.847 | 0.906 | 43.191 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 449 | HIS | 0 | -0.043 | -0.020 | 39.494 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 450 | LYS | 1 | 0.989 | 1.000 | 40.484 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 451 | ILE | 0 | -0.041 | -0.032 | 40.436 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 452 | LEU | 0 | -0.008 | -0.011 | 34.253 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 453 | HIS | 0 | 0.038 | 0.020 | 36.851 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 454 | ARG | 1 | 0.795 | 0.854 | 38.059 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 455 | LEU | 0 | -0.021 | -0.011 | 35.802 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 456 | LEU | 0 | -0.009 | -0.003 | 31.804 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 457 | GLN | 0 | -0.031 | -0.006 | 34.282 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 458 | GLU | -1 | -0.802 | -0.841 | 34.916 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |