![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 76LNK
Calculation Name: 4AEZ-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4AEZ
Chain ID: A
UniProt ID: O14417
Base Structure: X-ray
Registration Date: 2023-09-24
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 | OptHSide |
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 | 326 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4798688.299013 |
---|---|
FMO2-HF: Nuclear repulsion | 4674247.709085 |
FMO2-HF: Total energy | -124440.589927 |
FMO2-MP2: Total energy | -124807.984223 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F038734/ligand_interaction/ligand_F038734.png)
Ligand Interaction
![ligand interaction](./Kdata/F038734/ligand_interaction/ligand_interaction_F038734.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:125:LEU)
Summations of interaction energy for
fragment #1(A:125:LEU)
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. |
-3.268 | -2.001 | 7.147 | -2.745 | -5.669 | -0.003 |
Interaction energy analysis for fragmet #1(A:125:LEU)
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 | 127 | THR | 0 | -0.013 | 0.001 | 1.867 | -2.471 | -1.464 | 6.423 | -2.912 | -4.518 | 0.006 |
4 | A | 128 | ARG | 1 | 0.993 | 0.997 | 2.733 | -1.084 | -0.824 | 0.724 | 0.167 | -1.151 | -0.009 |
5 | A | 129 | VAL | 0 | 0.015 | 0.006 | 4.912 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 130 | LEU | 0 | -0.049 | -0.027 | 7.410 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 131 | ALA | 0 | 0.049 | 0.026 | 11.163 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 132 | PHE | 0 | -0.027 | -0.015 | 14.281 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 133 | LYS | 1 | 0.984 | 0.973 | 17.756 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 134 | LEU | 0 | -0.054 | -0.017 | 19.711 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 135 | ASP | -1 | -0.848 | -0.904 | 22.381 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 136 | ALA | 0 | -0.051 | -0.028 | 24.065 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 137 | PRO | 0 | -0.023 | -0.025 | 25.611 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 138 | GLU | -1 | -0.897 | -0.934 | 29.352 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 139 | ALA | 0 | -0.024 | -0.011 | 31.140 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 140 | LYS | 1 | 0.951 | 0.964 | 33.219 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 141 | LYS | 1 | 0.924 | 0.949 | 35.854 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 142 | PRO | 0 | 0.008 | 0.018 | 38.680 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 143 | VAL | 0 | 0.003 | -0.003 | 40.992 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 144 | ASP | -1 | -0.952 | -0.961 | 43.010 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 162 | ARG | 1 | 0.823 | 0.888 | 66.352 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 163 | ARG | 1 | 0.957 | 0.988 | 65.914 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 164 | PHE | 0 | 0.055 | 0.021 | 62.513 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 165 | ASN | 0 | -0.005 | -0.010 | 66.651 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 166 | THR | 0 | 0.030 | 0.006 | 62.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 167 | THR | 0 | -0.023 | -0.001 | 62.731 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 168 | PRO | 0 | -0.019 | 0.007 | 61.639 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 169 | GLU | -1 | -0.848 | -0.920 | 64.352 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 170 | ARG | 1 | 0.874 | 0.938 | 65.437 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 171 | VAL | 0 | 0.010 | -0.008 | 60.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 172 | LEU | 0 | -0.048 | -0.016 | 61.228 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 173 | ASP | -1 | -0.868 | -0.932 | 58.266 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 174 | ALA | 0 | -0.054 | -0.033 | 55.204 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 175 | PRO | 0 | 0.029 | 0.021 | 53.973 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 176 | GLY | 0 | 0.046 | 0.007 | 50.257 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 177 | ILE | 0 | -0.071 | -0.020 | 49.723 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 178 | ILE | 0 | 0.033 | 0.019 | 44.371 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 179 | ASP | -1 | -0.790 | -0.839 | 43.597 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 180 | ASP | -1 | -0.794 | -0.913 | 41.424 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 181 | TYR | 0 | -0.017 | -0.010 | 41.694 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 182 | TYR | 0 | -0.118 | -0.084 | 38.012 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 183 | LEU | 0 | -0.002 | 0.034 | 43.265 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 184 | ASN | 0 | -0.083 | -0.069 | 46.405 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 185 | LEU | 0 | 0.026 | 0.023 | 48.202 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 186 | LEU | 0 | 0.025 | 0.023 | 52.197 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 187 | ASP | -1 | -0.790 | -0.879 | 55.514 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 188 | TRP | 0 | -0.025 | -0.014 | 58.347 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 189 | SER | 0 | 0.046 | 0.034 | 62.090 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 190 | ASN | 0 | -0.022 | -0.058 | 64.473 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 191 | LEU | 0 | -0.027 | 0.007 | 67.570 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 192 | ASN | 0 | -0.051 | -0.035 | 67.688 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 193 | VAL | 0 | -0.003 | 0.006 | 64.440 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 194 | VAL | 0 | -0.005 | 0.010 | 60.577 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 195 | ALA | 0 | 0.015 | 0.011 | 58.664 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 196 | VAL | 0 | -0.003 | -0.019 | 55.313 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 197 | ALA | 0 | -0.029 | -0.017 | 52.046 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 198 | LEU | 0 | -0.032 | -0.013 | 52.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 199 | GLU | -1 | -0.889 | -0.951 | 48.463 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 200 | ARG | 1 | 0.776 | 0.875 | 48.758 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 201 | ASN | 0 | 0.008 | 0.003 | 51.311 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 202 | VAL | 0 | -0.028 | 0.004 | 54.594 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 203 | TYR | 0 | 0.030 | 0.017 | 56.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 204 | VAL | 0 | -0.009 | -0.019 | 59.824 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 205 | TRP | 0 | 0.016 | 0.008 | 62.723 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 206 | ASN | 0 | 0.014 | 0.028 | 65.041 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 207 | ALA | 0 | 0.015 | 0.015 | 67.341 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 208 | ASP | -1 | -0.887 | -0.922 | 68.955 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 209 | SER | 0 | -0.042 | -0.050 | 72.192 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 210 | GLY | 0 | -0.007 | -0.008 | 69.322 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 211 | SER | 0 | -0.061 | -0.038 | 69.320 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 212 | VAL | 0 | 0.003 | -0.008 | 63.627 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 213 | SER | 0 | -0.051 | -0.048 | 64.601 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 214 | ALA | 0 | 0.010 | 0.004 | 60.317 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 215 | LEU | 0 | -0.059 | -0.014 | 59.375 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 216 | ALA | 0 | -0.003 | -0.015 | 56.787 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 217 | GLU | -1 | -0.790 | -0.869 | 54.481 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 218 | THR | 0 | -0.077 | -0.035 | 49.889 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 219 | ASP | -1 | -0.818 | -0.887 | 48.442 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 220 | GLU | -1 | -0.909 | -0.967 | 47.602 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 221 | SER | 0 | -0.116 | -0.065 | 44.262 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 222 | THR | 0 | -0.078 | -0.059 | 44.048 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 223 | TYR | 0 | 0.050 | 0.026 | 41.443 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 224 | VAL | 0 | 0.031 | 0.018 | 47.590 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 225 | ALA | 0 | -0.030 | -0.022 | 45.900 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 226 | SER | 0 | -0.016 | -0.032 | 47.743 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 227 | VAL | 0 | 0.024 | 0.024 | 50.840 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 228 | LYS | 1 | 0.811 | 0.894 | 54.638 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 229 | TRP | 0 | 0.069 | 0.028 | 57.037 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 230 | SER | 0 | -0.028 | -0.028 | 60.688 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 231 | HIS | 0 | -0.010 | -0.019 | 62.547 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 232 | ASP | -1 | -0.841 | -0.889 | 64.823 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 233 | GLY | 0 | -0.029 | -0.014 | 65.294 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 234 | SER | 0 | 0.017 | -0.002 | 66.328 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 235 | PHE | 0 | -0.010 | -0.014 | 62.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 236 | LEU | 0 | -0.019 | 0.007 | 58.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 237 | SER | 0 | -0.064 | -0.041 | 55.904 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 238 | VAL | 0 | 0.057 | 0.012 | 52.807 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 239 | GLY | 0 | -0.002 | 0.010 | 50.231 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 240 | LEU | 0 | 0.032 | 0.022 | 48.377 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 241 | GLY | 0 | 0.043 | 0.006 | 44.331 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 242 | ASN | 0 | 0.017 | -0.015 | 42.983 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 243 | GLY | 0 | -0.021 | 0.005 | 44.572 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 244 | LEU | 0 | -0.059 | -0.026 | 45.889 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 245 | VAL | 0 | 0.011 | -0.005 | 49.467 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 246 | ASP | -1 | -0.780 | -0.855 | 52.448 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 247 | ILE | 0 | -0.047 | -0.034 | 55.585 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 248 | TYR | 0 | 0.030 | -0.008 | 56.258 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 249 | ASP | -1 | -0.804 | -0.868 | 61.673 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 250 | VAL | 0 | -0.005 | -0.001 | 65.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 251 | GLU | -1 | -0.923 | -0.957 | 66.233 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 252 | SER | 0 | -0.101 | -0.077 | 68.413 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 253 | GLN | 0 | 0.016 | 0.028 | 64.804 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 254 | THR | 0 | -0.017 | 0.002 | 64.062 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 255 | LYS | 1 | 0.840 | 0.917 | 56.439 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 256 | LEU | 0 | -0.034 | -0.004 | 61.531 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 257 | ARG | 1 | 0.784 | 0.866 | 58.579 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 258 | THR | 0 | 0.028 | -0.005 | 53.155 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 259 | MET | 0 | -0.085 | -0.030 | 53.884 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 260 | ALA | 0 | 0.054 | 0.027 | 49.212 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 261 | GLY | 0 | 0.028 | -0.005 | 47.574 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 262 | HIS | 0 | -0.047 | -0.007 | 45.127 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 263 | GLN | 0 | 0.001 | -0.002 | 39.863 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 264 | ALA | 0 | 0.000 | -0.004 | 39.481 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 265 | ARG | 1 | 0.813 | 0.896 | 39.966 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 266 | VAL | 0 | -0.016 | 0.003 | 43.376 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 267 | GLY | 0 | 0.058 | 0.040 | 45.642 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 268 | CYS | 0 | -0.056 | -0.005 | 46.538 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 269 | LEU | 0 | 0.023 | 0.018 | 49.403 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 270 | SER | 0 | 0.020 | 0.011 | 52.775 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 271 | TRP | 0 | 0.003 | 0.007 | 55.602 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 272 | ASN | 0 | -0.063 | -0.023 | 59.006 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 273 | ARG | 1 | 0.918 | 0.945 | 60.945 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 274 | HIS | 0 | 0.022 | 0.017 | 62.831 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 275 | VAL | 0 | -0.031 | -0.018 | 57.651 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 276 | LEU | 0 | 0.015 | 0.029 | 55.155 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 277 | SER | 0 | -0.023 | -0.028 | 52.922 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 278 | SER | 0 | 0.015 | -0.017 | 50.182 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 279 | GLY | 0 | 0.041 | 0.017 | 47.177 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 280 | SER | 0 | 0.039 | 0.014 | 43.240 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 281 | ARG | 1 | 0.930 | 0.956 | 35.120 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 282 | SER | 0 | -0.036 | -0.029 | 38.585 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 283 | GLY | 0 | -0.003 | 0.009 | 39.172 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 284 | ALA | 0 | -0.046 | -0.016 | 41.248 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 285 | ILE | 0 | 0.001 | -0.015 | 44.093 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 286 | HIS | 0 | -0.012 | -0.004 | 45.981 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 287 | HIS | 0 | 0.040 | 0.031 | 50.332 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 288 | HIS | 0 | 0.028 | 0.013 | 51.695 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 289 | ASP | -1 | -0.779 | -0.875 | 56.186 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 290 | VAL | 0 | 0.038 | 0.005 | 58.769 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 291 | ARG | 1 | 0.838 | 0.899 | 60.847 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 292 | ILE | 0 | -0.019 | 0.005 | 60.185 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 293 | ALA | 0 | 0.038 | 0.026 | 60.537 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 294 | ASN | 0 | -0.016 | -0.015 | 55.363 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 295 | HIS | 0 | 0.079 | 0.046 | 52.306 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 296 | GLN | 0 | -0.035 | 0.013 | 49.036 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 297 | ILE | 0 | -0.009 | -0.012 | 54.652 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 298 | GLY | 0 | -0.002 | -0.005 | 52.974 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 299 | THR | 0 | -0.012 | 0.004 | 47.666 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 300 | LEU | 0 | -0.056 | -0.017 | 48.183 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 301 | GLN | 0 | 0.028 | 0.014 | 40.270 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 302 | GLY | 0 | 0.004 | -0.003 | 44.044 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 303 | HIS | 0 | -0.036 | 0.008 | 41.259 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 304 | SER | 0 | -0.039 | -0.024 | 35.795 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 305 | SER | 0 | -0.012 | -0.020 | 35.730 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 306 | GLU | -1 | -0.741 | -0.842 | 37.706 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 307 | VAL | 0 | -0.003 | 0.015 | 40.222 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 308 | CYS | 0 | -0.100 | -0.035 | 42.313 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 309 | GLY | 0 | 0.056 | 0.033 | 45.039 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 310 | LEU | 0 | -0.019 | -0.024 | 48.448 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 311 | ALA | 0 | 0.019 | 0.013 | 51.111 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 312 | TRP | 0 | -0.011 | -0.010 | 54.782 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 313 | ARG | 1 | 0.754 | 0.856 | 57.611 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 314 | SER | 0 | 0.061 | 0.026 | 60.348 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 315 | ASP | -1 | -0.764 | -0.856 | 63.436 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 316 | GLY | 0 | -0.011 | -0.008 | 61.368 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 317 | LEU | 0 | -0.059 | -0.032 | 61.232 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 318 | GLN | 0 | -0.057 | -0.039 | 57.230 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 319 | LEU | 0 | 0.017 | 0.026 | 52.427 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 320 | ALA | 0 | -0.016 | -0.004 | 52.185 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 321 | SER | 0 | 0.019 | -0.009 | 47.136 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 322 | GLY | 0 | 0.018 | 0.014 | 46.187 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 323 | GLY | 0 | 0.053 | 0.025 | 42.439 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 324 | ASN | 0 | 0.018 | -0.017 | 35.678 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 325 | ASP | -1 | -0.793 | -0.878 | 37.208 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 326 | ASN | 0 | -0.026 | -0.009 | 36.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 327 | VAL | 0 | -0.023 | 0.014 | 40.419 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 328 | VAL | 0 | 0.002 | -0.005 | 42.987 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 329 | GLN | 0 | -0.004 | 0.007 | 44.075 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 330 | ILE | 0 | -0.012 | -0.006 | 48.418 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 331 | TRP | 0 | 0.060 | 0.024 | 46.816 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 332 | ASP | -1 | -0.768 | -0.879 | 53.433 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 333 | ALA | 0 | 0.031 | 0.009 | 56.089 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 334 | ARG | 1 | 0.843 | 0.909 | 57.529 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 335 | SER | 0 | -0.077 | -0.028 | 53.677 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 336 | SER | 0 | 0.060 | 0.025 | 50.227 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 337 | ILE | 0 | -0.020 | -0.007 | 49.507 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 338 | PRO | 0 | 0.027 | 0.017 | 46.998 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 339 | LYS | 1 | 0.762 | 0.891 | 50.315 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 340 | PHE | 0 | -0.051 | -0.040 | 50.843 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 341 | THR | 0 | 0.025 | 0.001 | 44.312 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 342 | LYS | 1 | 0.808 | 0.906 | 46.859 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 343 | THR | 0 | 0.069 | 0.021 | 41.525 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 344 | ASN | 0 | -0.042 | -0.025 | 42.441 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 345 | HIS | 0 | -0.033 | 0.011 | 43.473 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 346 | ASN | 0 | -0.008 | -0.015 | 39.096 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 347 | ALA | 0 | -0.060 | -0.026 | 38.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 348 | ALA | 0 | 0.025 | 0.020 | 39.842 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 349 | VAL | 0 | -0.033 | -0.015 | 41.294 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 350 | LYS | 1 | 0.866 | 0.939 | 44.944 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 351 | ALA | 0 | -0.010 | 0.017 | 46.637 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 352 | VAL | 0 | 0.013 | -0.010 | 49.479 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 353 | ALA | 0 | 0.024 | 0.018 | 52.171 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 354 | TRP | 0 | -0.003 | -0.013 | 55.949 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 355 | CYS | 0 | -0.045 | -0.004 | 58.818 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 356 | PRO | 0 | 0.023 | 0.014 | 61.708 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 357 | TRP | 0 | -0.024 | -0.016 | 63.723 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 358 | GLN | 0 | -0.009 | -0.020 | 63.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 359 | SER | 0 | 0.060 | 0.030 | 63.360 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 360 | ASN | 0 | 0.000 | -0.004 | 60.954 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 361 | LEU | 0 | -0.029 | 0.019 | 58.657 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 362 | LEU | 0 | -0.006 | 0.004 | 52.810 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 363 | ALA | 0 | 0.009 | 0.009 | 54.553 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 364 | THR | 0 | 0.007 | -0.018 | 49.182 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 365 | GLY | 0 | 0.013 | -0.004 | 48.856 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 366 | GLY | 0 | 0.025 | 0.032 | 44.751 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 367 | GLY | 0 | 0.042 | 0.013 | 42.079 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 368 | THR | 0 | 0.022 | -0.026 | 39.080 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 369 | MET | 0 | -0.009 | -0.002 | 34.752 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 370 | ASP | -1 | -0.778 | -0.865 | 39.305 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 371 | LYS | 1 | 0.834 | 0.936 | 42.523 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 372 | GLN | 0 | -0.032 | -0.012 | 45.665 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 373 | ILE | 0 | 0.017 | 0.004 | 48.007 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 374 | HIS | 0 | -0.001 | 0.013 | 46.552 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 375 | PHE | 0 | 0.054 | 0.011 | 51.765 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 376 | TRP | 0 | -0.001 | -0.027 | 48.846 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 377 | ASN | 0 | 0.011 | 0.015 | 55.484 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 378 | ALA | 0 | 0.040 | -0.002 | 56.403 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 379 | ALA | 0 | -0.028 | -0.017 | 57.458 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 380 | THR | 0 | 0.005 | -0.017 | 58.615 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 381 | GLY | 0 | 0.037 | 0.040 | 54.512 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 382 | ALA | 0 | -0.020 | -0.008 | 53.706 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 383 | ARG | 1 | 0.925 | 0.966 | 49.975 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 384 | VAL | 0 | -0.061 | -0.039 | 54.365 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 385 | ASN | 0 | 0.018 | 0.002 | 55.870 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 386 | THR | 0 | -0.070 | -0.045 | 50.981 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 387 | VAL | 0 | 0.005 | 0.014 | 52.416 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 388 | ASP | -1 | -0.784 | -0.874 | 48.216 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 389 | ALA | 0 | -0.048 | -0.044 | 49.532 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 390 | GLY | 0 | 0.036 | 0.030 | 48.016 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 391 | SER | 0 | 0.031 | -0.027 | 46.008 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 392 | GLN | 0 | -0.024 | -0.001 | 41.658 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 393 | VAL | 0 | -0.019 | -0.003 | 45.154 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 394 | THR | 0 | -0.035 | -0.040 | 46.627 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 395 | SER | 0 | -0.019 | -0.021 | 48.622 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 396 | LEU | 0 | 0.023 | -0.003 | 51.871 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 397 | ILE | 0 | 0.009 | 0.010 | 54.762 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 398 | TRP | 0 | -0.018 | -0.020 | 58.136 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 399 | SER | 0 | 0.017 | 0.002 | 61.216 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 400 | PRO | 0 | 0.029 | 0.009 | 64.507 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 401 | HIS | 1 | 0.804 | 0.885 | 67.186 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 402 | SER | 0 | -0.023 | -0.025 | 67.381 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 403 | LYS | 1 | 0.899 | 0.964 | 66.277 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 404 | GLU | -1 | -0.773 | -0.856 | 63.350 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 405 | ILE | 0 | -0.028 | -0.014 | 56.844 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 406 | MET | 0 | -0.012 | 0.008 | 58.575 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 407 | SER | 0 | 0.023 | -0.003 | 52.981 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 408 | THR | 0 | 0.013 | 0.033 | 51.581 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 409 | HIS | 0 | 0.034 | 0.036 | 49.127 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 410 | GLY | 0 | 0.026 | 0.004 | 45.698 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 411 | PHE | 0 | -0.007 | 0.004 | 39.964 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 412 | PRO | 0 | -0.061 | -0.050 | 43.868 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 413 | ASP | -1 | -0.802 | -0.883 | 45.266 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 414 | ASN | 0 | -0.028 | 0.011 | 47.385 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 415 | ASN | 0 | -0.013 | -0.033 | 50.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 416 | LEU | 0 | -0.008 | 0.003 | 53.306 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 417 | SER | 0 | -0.030 | -0.034 | 55.168 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 418 | ILE | 0 | -0.031 | -0.013 | 57.233 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 419 | TRP | 0 | 0.015 | -0.006 | 53.678 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 420 | SER | 0 | -0.013 | -0.020 | 60.467 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 421 | TYR | 0 | 0.015 | -0.006 | 58.861 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 422 | SER | 0 | -0.020 | -0.018 | 62.656 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 423 | SER | 0 | 0.003 | -0.024 | 62.532 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 424 | SER | 0 | -0.008 | 0.001 | 62.262 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 425 | GLY | 0 | 0.023 | 0.029 | 59.908 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 426 | LEU | 0 | -0.046 | -0.016 | 56.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 427 | THR | 0 | -0.002 | 0.012 | 59.373 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 428 | LYS | 1 | 0.857 | 0.930 | 53.995 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 429 | GLN | 0 | -0.027 | 0.003 | 59.927 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 430 | VAL | 0 | -0.006 | -0.009 | 61.163 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 431 | ASP | -1 | -0.787 | -0.852 | 55.599 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 432 | ILE | 0 | -0.026 | -0.011 | 57.813 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 433 | PRO | 0 | 0.052 | 0.027 | 54.507 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 434 | ALA | 0 | 0.002 | 0.001 | 54.778 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 435 | HIS | 0 | -0.034 | -0.016 | 52.511 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 436 | ASP | -1 | -0.886 | -0.928 | 51.550 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 437 | THR | 0 | -0.042 | -0.038 | 47.148 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 438 | ARG | 1 | 0.835 | 0.914 | 41.418 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 439 | VAL | 0 | 0.018 | 0.009 | 47.876 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 440 | LEU | 0 | -0.056 | 0.002 | 45.274 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 441 | TYR | 0 | -0.004 | -0.033 | 47.329 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 442 | SER | 0 | -0.024 | -0.032 | 52.264 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 443 | ALA | 0 | 0.028 | 0.029 | 55.679 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 444 | LEU | 0 | -0.033 | -0.013 | 58.782 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 445 | SER | 0 | 0.046 | 0.005 | 62.130 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 446 | PRO | 0 | 0.071 | 0.049 | 65.481 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 447 | ASP | -1 | -0.847 | -0.903 | 67.495 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 448 | GLY | 0 | -0.041 | -0.032 | 66.391 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 449 | ARG | 1 | 0.803 | 0.889 | 67.202 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 450 | ILE | 0 | 0.003 | -0.001 | 64.719 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 451 | LEU | 0 | -0.022 | 0.006 | 58.324 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 452 | SER | 0 | -0.029 | -0.008 | 60.028 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 453 | THR | 0 | -0.013 | -0.045 | 55.384 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 454 | ALA | 0 | 0.037 | 0.015 | 54.040 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 455 | ALA | 0 | -0.049 | -0.022 | 50.441 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 456 | SER | 0 | 0.012 | -0.012 | 46.605 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 457 | ASP | -1 | -0.758 | -0.868 | 49.307 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 458 | GLU | -1 | -0.851 | -0.920 | 51.464 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 459 | ASN | 0 | -0.047 | -0.011 | 53.608 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 460 | LEU | 0 | 0.005 | -0.004 | 55.815 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 461 | LYS | 1 | 0.810 | 0.909 | 55.779 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 462 | PHE | 0 | 0.016 | 0.005 | 60.232 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 463 | TRP | 0 | -0.002 | -0.022 | 58.175 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 464 | ARG | 1 | 0.802 | 0.868 | 63.874 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 465 | VAL | 0 | -0.001 | -0.009 | 62.601 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 466 | TYR | 0 | -0.058 | -0.037 | 65.919 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 467 | ASP | -1 | -0.770 | -0.826 | 69.181 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |