FMODB ID: QVVYY
Calculation Name: 4B8C-K-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4B8C
Chain ID: K
UniProt ID: P31384
Base Structure: X-ray
Registration Date: 2023-09-21
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 | 319 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4832968.026587 |
---|---|
FMO2-HF: Nuclear repulsion | 4703171.585151 |
FMO2-HF: Total energy | -129796.441436 |
FMO2-MP2: Total energy | -130175.976242 |
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(K:134:VAL)
Summations of interaction energy for
fragment #1(K:134:VAL)
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. |
-7.291 | -2.208 | 0.354 | -2.289 | -3.146 | 0.001 |
Interaction energy analysis for fragmet #1(K:134:VAL)
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 | K | 136 | ALA | 0 | -0.017 | -0.007 | 3.585 | -4.540 | -1.903 | -0.001 | -1.340 | -1.296 | 0.005 |
4 | K | 137 | SER | 0 | 0.014 | 0.003 | 3.121 | -2.773 | -1.514 | 0.120 | -0.536 | -0.843 | -0.004 |
5 | K | 138 | ASN | 0 | -0.033 | -0.012 | 2.506 | -0.775 | 0.303 | 0.236 | -0.407 | -0.906 | 0.000 |
6 | K | 139 | PRO | 0 | 0.080 | 0.046 | 5.336 | 0.321 | 0.430 | -0.001 | -0.006 | -0.101 | 0.000 |
7 | K | 140 | LEU | 0 | -0.028 | -0.017 | 7.487 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | K | 141 | LEU | 0 | -0.015 | -0.002 | 7.228 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | K | 142 | HIS | 1 | 0.844 | 0.901 | 7.533 | -0.695 | -0.695 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | K | 143 | PRO | 0 | -0.020 | 0.001 | 11.195 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | K | 145 | HIS | 0 | -0.001 | -0.021 | 13.317 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | K | 146 | LEU | 0 | -0.039 | -0.008 | 7.955 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | K | 147 | ASP | -1 | -0.923 | -0.965 | 12.072 | -0.319 | -0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | K | 148 | ASP | -1 | -1.009 | -0.979 | 14.494 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | K | 149 | PRO | 0 | 0.027 | 0.010 | 16.166 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | K | 150 | SER | 0 | -0.046 | -0.051 | 16.857 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | K | 151 | LEU | 0 | 0.079 | 0.051 | 17.647 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | K | 152 | LEU | 0 | -0.012 | -0.004 | 16.865 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | K | 153 | ASN | 0 | 0.042 | 0.026 | 20.600 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | K | 154 | ASN | 0 | 0.016 | -0.008 | 22.927 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | K | 155 | PRO | 0 | 0.003 | -0.011 | 23.619 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | K | 156 | ILE | 0 | 0.066 | 0.041 | 23.223 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | K | 157 | TRP | 0 | 0.022 | -0.012 | 14.682 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | K | 158 | LYS | 1 | 0.862 | 0.967 | 19.363 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | K | 159 | LEU | 0 | 0.033 | 0.006 | 20.787 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | K | 160 | GLN | 0 | -0.032 | -0.008 | 18.435 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | K | 161 | LEU | 0 | 0.007 | 0.012 | 14.775 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | K | 162 | HIS | 0 | -0.079 | -0.030 | 17.479 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | K | 163 | LEU | 0 | 0.019 | 0.018 | 19.637 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | K | 164 | ALA | 0 | 0.032 | 0.041 | 15.150 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | K | 165 | ALA | 0 | -0.029 | -0.013 | 15.305 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | K | 166 | VAL | 0 | -0.007 | -0.018 | 16.308 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | K | 167 | SER | 0 | -0.083 | -0.071 | 16.726 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | K | 168 | ALA | 0 | -0.013 | -0.023 | 12.710 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | K | 169 | GLN | 0 | -0.068 | -0.015 | 14.707 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | K | 170 | SER | 0 | -0.053 | -0.038 | 17.143 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | K | 171 | LEU | 0 | 0.026 | 0.016 | 12.970 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | K | 172 | GLY | 0 | -0.006 | 0.001 | 17.102 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | K | 173 | GLN | 0 | -0.003 | -0.008 | 18.263 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | K | 174 | PRO | 0 | 0.015 | 0.005 | 21.996 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | K | 175 | ASN | 0 | -0.003 | -0.007 | 24.236 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | K | 176 | ILE | 0 | 0.009 | 0.017 | 21.570 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | K | 177 | TYR | 0 | -0.036 | -0.033 | 22.727 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | K | 178 | ALA | 0 | 0.057 | 0.022 | 27.714 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | K | 179 | ARG | 1 | 0.904 | 0.964 | 24.530 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | K | 180 | GLN | 0 | 0.000 | 0.002 | 24.103 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | K | 181 | ASN | 0 | -0.048 | -0.038 | 29.512 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | K | 182 | ALA | 0 | 0.019 | 0.024 | 32.476 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | K | 183 | MET | 0 | -0.004 | -0.009 | 28.124 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | K | 184 | LYS | 1 | 0.852 | 0.925 | 30.572 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | K | 185 | LYS | 1 | 0.949 | 0.997 | 34.686 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | K | 186 | TYR | 0 | -0.093 | -0.051 | 36.596 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | K | 187 | LEU | 0 | 0.009 | 0.013 | 34.565 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | K | 242 | CYS | 0 | -0.004 | -0.001 | 25.324 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | K | 243 | THR | 0 | 0.032 | 0.010 | 26.161 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | K | 244 | LYS | 1 | 0.917 | 0.946 | 26.374 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | K | 245 | GLN | 0 | 0.105 | 0.058 | 20.721 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | K | 246 | ALA | 0 | 0.034 | 0.029 | 24.717 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | K | 247 | LEU | 0 | -0.018 | -0.035 | 27.889 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | K | 248 | MET | 0 | -0.049 | -0.001 | 24.360 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | K | 249 | GLU | -1 | -0.747 | -0.880 | 25.245 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | K | 250 | MET | 0 | -0.073 | -0.040 | 27.081 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | K | 251 | ALA | 0 | 0.009 | 0.002 | 29.463 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | K | 252 | ASP | -1 | -0.760 | -0.889 | 25.391 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | K | 253 | THR | 0 | -0.002 | -0.009 | 28.520 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | K | 254 | LEU | 0 | 0.025 | -0.003 | 30.476 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | K | 255 | THR | 0 | -0.159 | -0.065 | 30.057 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | K | 256 | ASP | -1 | -0.845 | -0.946 | 28.389 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | K | 257 | SER | 0 | -0.044 | -0.012 | 31.673 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | K | 258 | LYS | 1 | 0.925 | 0.955 | 35.216 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | K | 259 | THR | 0 | -0.084 | -0.054 | 32.917 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | K | 260 | ALA | 0 | 0.048 | 0.050 | 34.710 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | K | 261 | LYS | 1 | 0.875 | 0.954 | 36.398 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | K | 332 | ASP | -1 | -0.980 | -1.004 | 52.723 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | K | 333 | ASP | -1 | -0.884 | -0.954 | 45.947 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | K | 334 | GLN | 0 | -0.080 | -0.032 | 44.371 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | K | 335 | LEU | 0 | 0.001 | -0.007 | 43.367 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | K | 336 | TRP | 0 | -0.011 | 0.005 | 35.285 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | K | 337 | HIS | 0 | 0.047 | 0.027 | 37.458 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | K | 338 | ALA | 0 | -0.047 | -0.048 | 32.321 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | K | 339 | LEU | 0 | 0.057 | 0.026 | 30.952 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | K | 340 | ASP | -1 | -0.798 | -0.847 | 26.733 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | K | 341 | LEU | 0 | 0.033 | 0.011 | 25.753 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | K | 342 | SER | 0 | -0.044 | -0.059 | 22.710 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | K | 343 | ASN | 0 | -0.030 | -0.021 | 18.748 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | K | 344 | LEU | 0 | -0.026 | 0.002 | 20.813 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | K | 345 | GLN | 0 | -0.043 | -0.025 | 17.215 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | K | 346 | ILE | 0 | 0.000 | 0.035 | 19.970 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | K | 347 | PHE | 0 | 0.049 | -0.004 | 19.867 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | K | 348 | ASN | 0 | -0.053 | -0.035 | 21.391 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | K | 349 | ILE | 0 | 0.043 | 0.017 | 24.780 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | K | 350 | SER | 0 | 0.016 | 0.038 | 27.677 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | K | 351 | ALA | 0 | 0.118 | 0.036 | 31.409 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | K | 352 | ASN | 0 | -0.036 | -0.033 | 32.954 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | K | 353 | ILE | 0 | 0.005 | 0.010 | 28.994 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | K | 354 | PHE | 0 | 0.031 | 0.004 | 28.330 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | K | 355 | LYS | 1 | 0.923 | 0.973 | 34.327 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | K | 356 | TYR | 0 | -0.058 | -0.007 | 35.936 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | K | 357 | ASP | -1 | -0.831 | -0.934 | 36.559 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | K | 358 | PHE | 0 | -0.017 | 0.006 | 38.471 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | K | 359 | LEU | 0 | -0.040 | -0.019 | 32.891 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | K | 360 | THR | 0 | 0.100 | 0.021 | 34.942 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | K | 361 | ARG | 1 | 0.715 | 0.869 | 31.283 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | K | 362 | LEU | 0 | 0.065 | 0.040 | 27.946 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | K | 363 | TYR | 0 | -0.021 | -0.024 | 25.327 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | K | 364 | LEU | 0 | 0.060 | 0.022 | 23.486 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | K | 365 | ASN | 0 | 0.035 | 0.035 | 19.683 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | K | 366 | GLY | 0 | 0.038 | 0.017 | 17.033 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | K | 367 | ASN | 0 | -0.084 | -0.027 | 18.090 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | K | 368 | SER | 0 | -0.002 | -0.042 | 16.562 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | K | 369 | LEU | 0 | -0.022 | -0.003 | 17.595 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | K | 370 | THR | 0 | 0.041 | -0.001 | 17.789 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | K | 371 | GLU | -1 | -0.950 | -0.969 | 18.793 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | K | 372 | LEU | 0 | -0.026 | -0.024 | 21.880 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | K | 373 | PRO | 0 | 0.062 | 0.039 | 24.650 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | K | 374 | ALA | 0 | 0.137 | 0.061 | 28.190 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | K | 375 | GLU | -1 | -0.986 | -0.996 | 30.369 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | K | 376 | ILE | 0 | 0.013 | 0.012 | 27.965 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | K | 377 | LYS | 1 | 0.926 | 0.968 | 31.282 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | K | 378 | ASN | 0 | -0.058 | -0.033 | 33.758 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | K | 379 | LEU | 0 | -0.009 | -0.006 | 31.244 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | K | 380 | SER | 0 | 0.040 | 0.021 | 35.110 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | K | 381 | ASN | 0 | -0.007 | 0.012 | 36.769 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | K | 382 | LEU | 0 | -0.007 | 0.004 | 30.057 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | K | 383 | ARG | 1 | 0.834 | 0.910 | 32.942 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | K | 384 | VAL | 0 | -0.040 | -0.008 | 28.189 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | K | 385 | LEU | 0 | 0.062 | 0.045 | 25.213 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | K | 386 | ASP | -1 | -0.796 | -0.849 | 21.196 | 0.318 | 0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | K | 387 | LEU | 0 | 0.034 | 0.002 | 20.406 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | K | 388 | SER | 0 | -0.024 | -0.051 | 17.425 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | K | 389 | HIS | 0 | -0.043 | -0.002 | 13.001 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | K | 390 | ASN | 0 | -0.070 | -0.009 | 15.145 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | K | 391 | ARG | 1 | 0.860 | 0.918 | 11.668 | -0.523 | -0.523 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | K | 392 | LEU | 0 | -0.021 | 0.011 | 14.643 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | K | 393 | THR | 0 | 0.035 | 0.007 | 15.462 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | K | 394 | SER | 0 | -0.008 | -0.004 | 16.578 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | K | 395 | LEU | 0 | 0.001 | -0.004 | 19.582 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | K | 396 | PRO | 0 | 0.034 | 0.035 | 22.517 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | K | 397 | ALA | 0 | 0.125 | 0.057 | 26.070 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | K | 398 | GLU | -1 | -0.917 | -0.965 | 29.018 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | K | 399 | LEU | 0 | 0.013 | -0.015 | 25.516 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | K | 400 | GLY | 0 | -0.015 | -0.018 | 29.633 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | K | 401 | SER | 0 | -0.012 | -0.007 | 31.891 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | K | 402 | CYS | 0 | -0.057 | -0.023 | 31.155 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | K | 403 | PHE | 0 | 0.038 | 0.012 | 33.608 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | K | 404 | GLN | 0 | -0.026 | -0.009 | 35.144 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | K | 405 | LEU | 0 | -0.033 | -0.004 | 28.712 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | K | 406 | LYS | 1 | 0.902 | 0.957 | 32.117 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | K | 407 | TYR | 0 | -0.030 | -0.028 | 27.316 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | K | 408 | PHE | 0 | 0.018 | 0.005 | 22.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | K | 409 | TYR | 0 | 0.002 | -0.011 | 21.090 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | K | 410 | PHE | 0 | 0.026 | 0.025 | 17.532 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | K | 411 | PHE | 0 | 0.088 | 0.048 | 15.282 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | K | 412 | ASP | -1 | -0.876 | -0.942 | 10.256 | 1.191 | 1.191 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | K | 413 | ASN | 0 | -0.084 | -0.024 | 11.154 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | K | 414 | MET | 0 | 0.002 | -0.011 | 8.382 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | K | 415 | VAL | 0 | 0.031 | 0.033 | 12.808 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | K | 416 | THR | 0 | -0.004 | 0.004 | 15.215 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | K | 417 | THR | 0 | 0.009 | -0.005 | 17.363 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | K | 418 | LEU | 0 | -0.057 | -0.028 | 21.133 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | K | 419 | PRO | 0 | 0.017 | 0.002 | 23.693 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | K | 420 | TRP | 0 | 0.042 | 0.051 | 26.643 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | K | 421 | GLU | -1 | -0.855 | -0.915 | 29.199 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | K | 422 | PHE | 0 | -0.034 | -0.045 | 24.564 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | K | 423 | GLY | 0 | 0.052 | -0.009 | 29.589 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | K | 424 | ASN | 0 | -0.108 | -0.049 | 31.613 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | K | 425 | LEU | 0 | -0.052 | -0.018 | 29.096 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | K | 426 | CYS | 0 | 0.028 | -0.001 | 33.005 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | K | 427 | ASN | 0 | -0.052 | -0.043 | 34.506 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | K | 428 | LEU | 0 | 0.025 | 0.048 | 27.518 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | K | 429 | GLN | 0 | -0.080 | -0.032 | 31.228 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | K | 430 | PHE | 0 | -0.003 | -0.008 | 21.900 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | K | 431 | LEU | 0 | 0.015 | 0.007 | 22.302 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | K | 432 | GLY | 0 | -0.024 | -0.013 | 21.038 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | K | 433 | VAL | 0 | 0.029 | 0.002 | 18.219 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | K | 434 | GLU | -1 | -0.850 | -0.847 | 13.227 | 0.447 | 0.447 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | K | 435 | GLY | 0 | 0.127 | -0.010 | 13.184 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | K | 436 | ASN | 0 | -0.132 | -0.063 | 11.974 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | K | 437 | PRO | 0 | 0.019 | 0.025 | 10.692 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | K | 438 | LEU | 0 | 0.043 | 0.014 | 13.124 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | K | 439 | GLU | -1 | -0.922 | -0.969 | 16.348 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | K | 440 | LYS | 1 | 0.915 | 0.938 | 14.180 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | K | 441 | GLN | 0 | -0.021 | -0.017 | 19.009 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | K | 442 | PHE | 0 | 0.110 | 0.041 | 21.510 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | K | 443 | LEU | 0 | -0.007 | 0.003 | 16.331 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | K | 444 | LYS | 1 | 0.935 | 0.977 | 21.054 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | K | 445 | ILE | 0 | 0.008 | 0.020 | 23.582 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | K | 446 | LEU | 0 | 0.014 | 0.011 | 21.992 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | K | 447 | THR | 0 | -0.089 | -0.064 | 21.607 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | K | 448 | GLU | -1 | -0.884 | -0.935 | 24.663 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | K | 449 | LYS | 1 | 0.934 | 0.996 | 28.116 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | K | 450 | SER | 0 | -0.042 | -0.020 | 27.528 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | K | 451 | VAL | 0 | 0.091 | 0.040 | 26.713 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | K | 452 | THR | 0 | 0.007 | 0.001 | 28.649 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | K | 453 | GLY | 0 | 0.014 | 0.008 | 30.696 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | K | 454 | LEU | 0 | -0.007 | -0.005 | 24.588 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | K | 455 | ILE | 0 | -0.012 | 0.003 | 28.792 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | K | 456 | PHE | 0 | -0.020 | -0.024 | 30.698 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | K | 457 | TYR | 0 | -0.062 | -0.010 | 27.486 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | K | 458 | LEU | 0 | -0.017 | -0.005 | 27.002 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | K | 459 | ARG | 1 | 0.773 | 0.879 | 31.157 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | K | 460 | ASP | -1 | -0.788 | -0.886 | 34.613 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | K | 461 | ASN | 0 | 0.015 | 0.010 | 32.834 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | K | 462 | ARG | 1 | 0.917 | 0.988 | 32.721 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | K | 463 | PRO | 0 | -0.028 | -0.008 | 32.157 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | K | 464 | GLU | -1 | -0.853 | -0.944 | 34.948 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | K | 465 | ILE | 0 | -0.007 | -0.005 | 35.427 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | K | 466 | PRO | 0 | -0.016 | -0.004 | 39.088 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | K | 467 | LEU | 0 | 0.043 | 0.003 | 42.294 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | K | 468 | PRO | 0 | -0.027 | 0.018 | 44.306 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | K | 469 | HIS | 1 | 0.831 | 0.881 | 46.800 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | K | 470 | GLU | -1 | -0.846 | -0.889 | 50.264 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | K | 512 | THR | 0 | -0.015 | -0.009 | 55.829 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | K | 513 | LEU | 0 | -0.107 | -0.042 | 50.347 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | K | 514 | CYS | 0 | 0.028 | 0.023 | 54.824 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | K | 515 | GLN | 0 | 0.063 | 0.016 | 50.338 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | K | 516 | HIS | 0 | -0.098 | -0.060 | 53.369 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | K | 517 | TYR | 0 | 0.057 | 0.018 | 53.866 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | K | 518 | ALA | 0 | 0.011 | 0.024 | 50.331 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | K | 519 | THR | 0 | -0.062 | -0.027 | 48.552 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | K | 520 | PRO | 0 | 0.133 | 0.042 | 44.058 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | K | 521 | LYS | 1 | 0.839 | 0.903 | 43.934 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | K | 522 | MET | 0 | -0.029 | 0.001 | 43.981 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | K | 523 | TYR | 0 | 0.028 | 0.036 | 43.894 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | K | 524 | ARG | 1 | 0.901 | 0.949 | 39.053 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | K | 525 | TYR | 0 | 0.030 | 0.012 | 38.190 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | K | 526 | THR | 0 | 0.003 | 0.008 | 39.027 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | K | 527 | PRO | 0 | -0.024 | 0.009 | 38.541 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | K | 528 | SER | 0 | -0.064 | -0.079 | 39.883 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | K | 529 | TRP | 0 | 0.020 | 0.008 | 39.241 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | K | 530 | ALA | 0 | 0.015 | 0.029 | 43.392 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | K | 531 | LEU | 0 | -0.052 | -0.010 | 44.777 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | K | 532 | SER | 0 | -0.038 | -0.043 | 46.530 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | K | 533 | TRP | 0 | 0.058 | 0.013 | 48.818 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | K | 534 | ASP | -1 | -0.907 | -0.947 | 50.732 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | K | 535 | TYR | 0 | 0.052 | 0.033 | 45.828 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | K | 536 | ARG | 1 | 0.795 | 0.867 | 49.020 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | K | 537 | ARG | 1 | 0.850 | 0.945 | 52.022 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | K | 538 | ASN | 0 | 0.016 | -0.003 | 52.575 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | K | 539 | LYS | 1 | 0.795 | 0.904 | 49.450 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | K | 540 | LEU | 0 | 0.042 | 0.019 | 53.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | K | 541 | LYS | 1 | 0.911 | 0.963 | 55.982 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | K | 542 | GLU | -1 | -0.830 | -0.905 | 52.790 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | K | 543 | GLN | 0 | -0.005 | 0.005 | 53.621 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | K | 544 | ILE | 0 | 0.007 | -0.008 | 56.501 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | K | 545 | LEU | 0 | -0.049 | -0.019 | 59.871 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | K | 546 | SER | 0 | -0.071 | -0.023 | 57.741 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | K | 547 | TYR | 0 | -0.086 | -0.044 | 54.907 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | K | 548 | ASP | -1 | -0.845 | -0.935 | 61.280 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | K | 549 | SER | 0 | -0.118 | -0.045 | 64.431 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | K | 550 | ASP | -1 | -0.851 | -0.930 | 66.258 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | K | 551 | LEU | 0 | -0.067 | -0.038 | 68.826 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | K | 552 | LEU | 0 | -0.017 | 0.006 | 63.537 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | K | 553 | CYS | 0 | -0.035 | -0.012 | 65.665 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | K | 554 | LEU | 0 | 0.010 | 0.007 | 61.324 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | K | 555 | GLN | 0 | 0.088 | 0.000 | 57.039 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | K | 556 | GLU | -1 | -0.706 | -0.808 | 57.097 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | K | 557 | VAL | 0 | -0.087 | -0.058 | 59.103 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | K | 558 | GLU | -1 | -0.930 | -0.978 | 60.069 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | K | 559 | SER | 0 | 0.009 | 0.000 | 62.268 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | K | 560 | LYS | 1 | 0.893 | 0.943 | 63.499 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | K | 561 | THR | 0 | -0.001 | -0.016 | 59.629 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | K | 562 | PHE | 0 | 0.032 | 0.012 | 63.018 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | K | 563 | GLU | -1 | -0.984 | -1.006 | 65.630 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | K | 564 | GLU | -1 | -0.870 | -0.914 | 64.373 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | K | 565 | TYR | 0 | -0.067 | -0.046 | 57.437 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | K | 566 | TRP | 0 | -0.023 | -0.030 | 58.964 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | K | 567 | VAL | 0 | -0.007 | 0.030 | 64.989 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | K | 568 | PRO | 0 | -0.037 | -0.005 | 65.444 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | K | 576 | THR | 0 | -0.015 | -0.018 | 72.080 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | K | 577 | GLY | 0 | 0.013 | 0.008 | 71.063 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | K | 578 | ILE | 0 | -0.049 | -0.023 | 71.647 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | K | 579 | PHE | 0 | 0.040 | 0.032 | 66.817 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | K | 596 | VAL | 0 | -0.002 | 0.006 | 63.294 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | K | 597 | ASP | -1 | -0.880 | -0.959 | 60.778 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | K | 598 | GLY | 0 | -0.006 | -0.006 | 63.691 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | K | 599 | CYS | 0 | -0.064 | -0.029 | 64.166 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | K | 600 | CYS | 0 | -0.015 | 0.005 | 65.718 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | K | 601 | ILE | 0 | -0.004 | 0.000 | 67.336 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | K | 602 | PHE | 0 | 0.013 | 0.019 | 66.090 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | K | 603 | PHE | 0 | 0.020 | 0.006 | 69.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | K | 766 | LEU | 0 | 0.012 | 0.016 | 53.660 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | K | 767 | PRO | 0 | -0.049 | -0.022 | 49.437 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | K | 768 | PHE | 0 | 0.034 | -0.014 | 47.598 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | K | 769 | THR | 0 | -0.016 | 0.011 | 51.821 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | K | 770 | ASN | 0 | -0.021 | -0.017 | 50.223 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | K | 771 | PHE | 0 | 0.021 | 0.006 | 42.448 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | K | 772 | THR | 0 | 0.014 | -0.005 | 45.187 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | K | 773 | PRO | 0 | 0.000 | -0.012 | 41.064 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | K | 774 | SER | 0 | -0.088 | -0.031 | 43.170 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | K | 775 | PHE | 0 | 0.017 | 0.000 | 45.979 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | K | 776 | THR | 0 | -0.038 | -0.009 | 45.800 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | K | 777 | ASP | -1 | -0.849 | -0.926 | 48.199 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | K | 778 | VAL | 0 | -0.034 | -0.007 | 51.681 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | K | 779 | ILE | 0 | -0.035 | -0.002 | 55.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | K | 797 | GLU | -1 | -0.920 | -1.000 | 50.167 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | K | 798 | VAL | 0 | -0.023 | 0.001 | 47.711 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | K | 799 | ASP | -1 | -0.806 | -0.927 | 44.677 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | K | 800 | PRO | 0 | 0.039 | 0.015 | 45.006 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | K | 801 | GLU | -1 | -0.961 | -0.970 | 39.464 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | K | 802 | TYR | 0 | -0.031 | -0.011 | 40.391 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | K | 803 | VAL | 0 | -0.032 | -0.016 | 41.383 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | K | 804 | SER | 0 | -0.066 | -0.038 | 38.496 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | K | 805 | LYS | 1 | 0.921 | 0.952 | 32.706 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | K | 806 | PHE | 0 | -0.010 | -0.004 | 37.048 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | K | 807 | ILE | 0 | -0.036 | -0.011 | 37.008 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | K | 808 | GLY | 0 | 0.002 | 0.003 | 39.921 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | K | 809 | PHE | 0 | -0.014 | 0.050 | 43.239 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | K | 810 | PRO | 0 | 0.004 | 0.010 | 45.813 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | K | 811 | ASN | 0 | 0.009 | -0.032 | 40.583 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | K | 812 | ASP | -1 | -0.889 | -0.939 | 41.845 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | K | 813 | LYS | 1 | 0.847 | 0.914 | 43.124 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | K | 814 | PHE | 0 | 0.036 | 0.034 | 46.622 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | K | 815 | PRO | 0 | -0.014 | 0.002 | 48.654 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | K | 816 | SER | 0 | 0.008 | -0.033 | 50.132 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | K | 817 | ASP | -1 | -0.769 | -0.896 | 48.648 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | K | 818 | HIS | 0 | -0.078 | -0.025 | 49.907 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | K | 819 | ILE | 0 | 0.009 | 0.012 | 50.964 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | K | 820 | PRO | 0 | -0.007 | 0.009 | 54.046 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |