![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: Z6MGN
Calculation Name: 5CEN-A-Xray372
Preferred Name: Mitogen-activated protein kinase kinase kinase 12
Target Type: SINGLE PROTEIN
Ligand Name:
ligand 3-letter code:
PDB ID: 5CEN
Chain ID: A
ChEMBL ID: CHEMBL1908389
UniProt ID: Q12852
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 | 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 | 281 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4019072.633235 |
---|---|
FMO2-HF: Nuclear repulsion | 3907103.42705 |
FMO2-HF: Total energy | -111969.206185 |
FMO2-MP2: Total energy | -112294.751528 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F031591/ligand_interaction/ligand_F031591.png)
Ligand Interaction
![ligand interaction](./Kdata/F031591/ligand_interaction/ligand_interaction_F031591.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:117:LEU)
Summations of interaction energy for
fragment #1(A:117: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. |
-13.333 | -8.839 | 1.468 | -2.249 | -3.709 | -0.017 |
Interaction energy analysis for fragmet #1(A:117: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 | 119 | GLU | -1 | -0.898 | -0.945 | 3.129 | -3.171 | -0.739 | 0.021 | -0.998 | -1.454 | 0.000 |
4 | A | 120 | VAL | 0 | -0.011 | -0.011 | 2.464 | -4.833 | -3.246 | 1.446 | -1.208 | -1.824 | -0.017 |
5 | A | 121 | PRO | 0 | 0.038 | 0.029 | 3.595 | 0.494 | 0.794 | 0.003 | -0.032 | -0.271 | 0.000 |
6 | A | 122 | PHE | 0 | 0.055 | -0.013 | 6.449 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 123 | GLU | -1 | -0.930 | -0.966 | 8.451 | -1.619 | -1.619 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 124 | GLU | -1 | -0.886 | -0.948 | 5.959 | -3.248 | -3.248 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 125 | ILE | 0 | -0.098 | -0.050 | 9.681 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 126 | LEU | 0 | -0.014 | -0.008 | 12.026 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 127 | ASP | -1 | -0.855 | -0.923 | 15.288 | -0.366 | -0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 128 | LEU | 0 | 0.006 | 0.002 | 15.672 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 129 | GLN | 0 | -0.009 | -0.001 | 19.023 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 130 | TRP | 0 | -0.056 | -0.018 | 22.132 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 131 | VAL | 0 | -0.002 | -0.013 | 22.427 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 132 | GLY | 0 | 0.068 | 0.042 | 24.630 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 133 | SER | 0 | -0.098 | -0.037 | 24.854 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 134 | GLY | 0 | 0.095 | 0.039 | 23.156 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 135 | ALA | 0 | -0.042 | -0.026 | 24.064 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 136 | GLN | 0 | -0.007 | -0.016 | 23.206 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 137 | GLY | 0 | 0.022 | 0.005 | 21.432 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 138 | ALA | 0 | -0.027 | 0.017 | 21.696 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 139 | VAL | 0 | -0.011 | -0.025 | 19.803 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 140 | PHE | 0 | -0.012 | -0.002 | 18.478 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 141 | LEU | 0 | 0.037 | 0.032 | 18.475 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 142 | GLY | 0 | 0.042 | 0.015 | 15.903 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 143 | ARG | 1 | 0.862 | 0.926 | 14.588 | 0.469 | 0.469 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 144 | PHE | 0 | 0.004 | -0.003 | 5.208 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 145 | HIS | 1 | 0.836 | 0.909 | 4.508 | 2.067 | 2.160 | -0.001 | -0.002 | -0.089 | 0.000 |
30 | A | 146 | GLY | 0 | 0.011 | 0.009 | 10.040 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 147 | GLU | -1 | -0.851 | -0.899 | 11.919 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 148 | GLU | -1 | -0.918 | -0.957 | 13.833 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 149 | VAL | 0 | -0.066 | -0.037 | 11.260 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 150 | ALA | 0 | 0.037 | 0.029 | 14.763 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 151 | VAL | 0 | 0.008 | -0.012 | 13.695 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 152 | LYS | 1 | 0.834 | 0.913 | 15.686 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 153 | LYS | 1 | 0.850 | 0.930 | 16.529 | 0.448 | 0.448 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 154 | VAL | 0 | 0.025 | -0.001 | 15.988 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 155 | ARG | 1 | 0.900 | 0.929 | 18.467 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 156 | ASP | -1 | -0.828 | -0.917 | 17.846 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 157 | LEU | 0 | 0.044 | 0.019 | 11.989 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 158 | LYS | 1 | 0.971 | 1.004 | 14.883 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 159 | GLU | -1 | -0.928 | -0.958 | 17.283 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 160 | THR | 0 | -0.059 | -0.047 | 12.057 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 161 | ASP | -1 | -0.975 | -0.982 | 12.602 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 162 | ILE | 0 | 0.047 | 0.015 | 12.007 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 163 | LYS | 1 | 0.926 | 0.960 | 9.161 | 0.392 | 0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 164 | HIS | 0 | -0.005 | 0.003 | 11.708 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 165 | LEU | 0 | 0.026 | 0.005 | 14.093 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 166 | ARG | 1 | 0.946 | 0.994 | 4.314 | -3.137 | -3.055 | -0.001 | -0.009 | -0.071 | 0.000 |
51 | A | 167 | LYS | 1 | 0.879 | 0.919 | 11.429 | -0.632 | -0.632 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 168 | LEU | 0 | -0.003 | 0.016 | 13.275 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 169 | LYS | 1 | 0.955 | 0.980 | 10.692 | -1.240 | -1.240 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 170 | HIS | 0 | 0.062 | 0.034 | 16.714 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 171 | PRO | 0 | 0.041 | 0.021 | 19.675 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 172 | ASN | 0 | -0.004 | 0.001 | 21.443 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 173 | ILE | 0 | -0.038 | -0.002 | 18.017 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 174 | ILE | 0 | -0.031 | -0.003 | 16.455 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 175 | THR | 0 | -0.021 | -0.006 | 12.099 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 176 | PHE | 0 | -0.013 | -0.020 | 10.965 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 177 | LYS | 1 | 0.806 | 0.876 | 8.302 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 178 | GLY | 0 | 0.009 | 0.010 | 6.391 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 179 | VAL | 0 | -0.048 | -0.015 | 7.284 | 0.421 | 0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 180 | CYS | 0 | 0.012 | 0.044 | 7.162 | -0.516 | -0.516 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 181 | THR | 0 | -0.024 | -0.035 | 7.958 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 182 | GLN | 0 | 0.056 | 0.024 | 8.418 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 183 | ALA | 0 | -0.001 | 0.022 | 11.073 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 184 | PRO | 0 | 0.005 | -0.010 | 14.867 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 185 | CYS | 0 | -0.052 | -0.044 | 13.234 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 186 | TYR | 0 | 0.018 | 0.030 | 12.970 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 187 | CYS | 0 | 0.015 | 0.013 | 12.550 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 188 | ILE | 0 | 0.005 | 0.010 | 12.020 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 189 | LEU | 0 | 0.027 | 0.034 | 8.878 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 190 | MET | 0 | -0.042 | -0.023 | 11.471 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 191 | GLU | -1 | -0.795 | -0.910 | 13.529 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 192 | PHE | 0 | 0.034 | 0.014 | 15.066 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 193 | CYS | 0 | -0.068 | -0.030 | 18.172 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 194 | ALA | 0 | 0.035 | -0.001 | 21.629 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 195 | GLN | 0 | -0.088 | -0.051 | 24.111 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 196 | GLY | 0 | 0.019 | 0.033 | 25.270 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 197 | GLN | 0 | -0.010 | -0.022 | 26.207 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 198 | LEU | 0 | 0.019 | 0.006 | 27.716 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 199 | TYR | 0 | -0.029 | -0.022 | 30.132 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 200 | GLU | -1 | -0.850 | -0.939 | 28.670 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 201 | VAL | 0 | 0.018 | 0.014 | 30.221 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 202 | LEU | 0 | -0.030 | -0.025 | 33.015 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 203 | ARG | 1 | 0.843 | 0.937 | 35.537 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 204 | ALA | 0 | -0.019 | 0.002 | 35.277 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 205 | GLY | 0 | -0.025 | -0.003 | 37.218 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 206 | ARG | 1 | 0.813 | 0.905 | 31.730 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 207 | PRO | 0 | -0.007 | -0.010 | 37.423 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 208 | VAL | 0 | 0.021 | 0.008 | 36.009 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 209 | THR | 0 | 0.016 | 0.004 | 38.169 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 210 | PRO | 0 | 0.044 | 0.015 | 38.739 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 211 | SER | 0 | 0.043 | 0.013 | 36.695 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 212 | LEU | 0 | 0.016 | 0.028 | 32.706 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 213 | LEU | 0 | -0.023 | 0.005 | 34.309 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 214 | VAL | 0 | 0.002 | 0.008 | 35.675 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 215 | ASP | -1 | -0.875 | -0.933 | 31.296 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 216 | TRP | 0 | -0.045 | -0.058 | 29.648 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 217 | SER | 0 | -0.035 | -0.031 | 30.883 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 218 | MET | 0 | -0.001 | -0.010 | 32.385 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 219 | GLY | 0 | 0.040 | 0.036 | 28.400 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 220 | ILE | 0 | -0.013 | -0.017 | 27.446 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 221 | ALA | 0 | -0.005 | -0.005 | 28.288 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 222 | GLY | 0 | 0.023 | 0.005 | 28.268 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 223 | GLY | 0 | 0.005 | -0.001 | 24.390 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 224 | MET | 0 | 0.012 | 0.007 | 24.559 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 225 | ASN | 0 | -0.027 | -0.013 | 26.959 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 226 | TYR | 0 | -0.001 | 0.008 | 18.731 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 227 | LEU | 0 | 0.019 | 0.002 | 20.616 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 228 | HIS | 0 | -0.024 | -0.020 | 23.722 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 229 | LEU | 0 | -0.053 | -0.015 | 25.711 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 230 | HIS | 0 | -0.104 | -0.053 | 20.824 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 231 | LYS | 1 | 0.906 | 0.949 | 22.871 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 232 | ILE | 0 | -0.014 | 0.012 | 20.026 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 233 | ILE | 0 | -0.045 | -0.024 | 23.909 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 234 | HIS | 0 | -0.008 | -0.005 | 23.775 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 235 | ARG | 1 | 0.851 | 0.916 | 25.606 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 236 | ASP | -1 | -0.820 | -0.896 | 26.764 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 237 | LEU | 0 | 0.005 | 0.001 | 27.477 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 238 | LYS | 1 | 0.871 | 0.924 | 29.054 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 239 | SER | 0 | -0.011 | -0.058 | 29.411 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 240 | PRO | 0 | -0.015 | -0.016 | 29.414 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 241 | ASN | 0 | -0.031 | -0.010 | 25.398 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 242 | MET | 0 | -0.089 | -0.021 | 24.662 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 243 | LEU | 0 | 0.007 | 0.003 | 20.987 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 244 | ILE | 0 | 0.027 | 0.019 | 24.781 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 245 | THR | 0 | -0.014 | -0.025 | 21.398 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 246 | TYR | 0 | 0.024 | 0.006 | 23.574 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 247 | ASP | -1 | -0.886 | -0.931 | 24.276 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 248 | ASP | -1 | -0.766 | -0.847 | 26.804 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 249 | VAL | 0 | 0.019 | 0.026 | 23.695 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 250 | VAL | 0 | -0.029 | -0.003 | 25.033 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 251 | LYS | 1 | 0.847 | 0.916 | 19.269 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 252 | ILE | 0 | -0.013 | -0.014 | 22.700 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 253 | SER | 0 | 0.057 | 0.019 | 19.869 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 254 | ASP | -1 | -0.850 | -0.901 | 20.679 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 255 | PHE | 0 | 0.036 | 0.003 | 18.888 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 256 | GLY | 0 | 0.065 | 0.040 | 22.267 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 257 | THR | 0 | -0.025 | -0.019 | 22.908 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 258 | SER | 0 | -0.063 | -0.050 | 25.563 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 259 | LYS | 1 | 0.995 | 0.995 | 28.704 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 260 | GLU | -1 | -0.981 | -0.966 | 31.429 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 261 | LEU | 0 | 0.008 | 0.004 | 30.650 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 262 | SER | 0 | -0.005 | 0.001 | 31.541 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 263 | ASP | -1 | -0.825 | -0.900 | 31.939 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 264 | LYS | 1 | 0.986 | 0.969 | 34.509 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 265 | SER | 0 | 0.036 | 0.008 | 33.409 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 266 | THR | 0 | 0.024 | 0.010 | 30.718 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 267 | LYS | 1 | 0.892 | 0.972 | 33.099 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 268 | MET | 0 | -0.027 | -0.019 | 36.304 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 269 | SER | 0 | -0.044 | -0.026 | 32.711 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 270 | PHE | 0 | 0.031 | -0.008 | 29.409 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 271 | ALA | 0 | 0.006 | 0.003 | 34.974 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 272 | GLY | 0 | 0.007 | 0.012 | 36.970 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 273 | THR | 0 | -0.034 | -0.021 | 33.157 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 274 | VAL | 0 | 0.018 | 0.007 | 35.831 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 275 | ALA | 0 | 0.023 | 0.025 | 38.283 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 276 | TRP | 0 | -0.018 | -0.029 | 34.151 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 277 | MET | 0 | -0.055 | -0.010 | 32.013 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 278 | ALA | 0 | 0.033 | 0.020 | 36.411 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 279 | PRO | 0 | 0.017 | 0.005 | 38.346 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 280 | GLU | -1 | -0.744 | -0.860 | 37.400 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 281 | VAL | 0 | -0.052 | -0.023 | 34.428 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 282 | ILE | 0 | -0.038 | -0.006 | 37.049 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 283 | ARG | 1 | 0.718 | 0.813 | 39.923 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 284 | ASN | 0 | -0.060 | -0.022 | 36.710 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 285 | GLU | -1 | -0.795 | -0.865 | 38.680 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 286 | PRO | 0 | 0.004 | -0.010 | 35.565 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 287 | VAL | 0 | -0.022 | -0.001 | 31.468 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 288 | SER | 0 | -0.008 | -0.002 | 32.822 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 289 | GLU | -1 | -0.869 | -0.959 | 30.106 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 290 | LYS | 1 | 0.856 | 0.916 | 31.429 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 291 | VAL | 0 | -0.011 | -0.001 | 31.627 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 292 | ASP | -1 | -0.690 | -0.842 | 28.526 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 293 | ILE | 0 | -0.052 | -0.013 | 31.858 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 294 | TRP | 0 | 0.020 | 0.021 | 34.748 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 295 | SER | 0 | -0.033 | -0.036 | 32.524 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 296 | PHE | 0 | 0.015 | -0.006 | 31.993 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 297 | GLY | 0 | 0.033 | 0.018 | 34.005 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 298 | VAL | 0 | -0.047 | -0.017 | 36.516 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 299 | VAL | 0 | 0.019 | 0.019 | 31.920 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 300 | LEU | 0 | -0.012 | -0.004 | 35.181 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 301 | TRP | 0 | 0.043 | -0.013 | 37.262 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 302 | GLU | -1 | -0.758 | -0.835 | 35.219 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 303 | LEU | 0 | -0.062 | -0.017 | 33.528 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 304 | LEU | 0 | -0.023 | -0.010 | 37.622 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 305 | THR | 0 | 0.011 | -0.011 | 41.269 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 306 | GLY | 0 | 0.007 | 0.020 | 39.576 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 307 | GLU | -1 | -0.918 | -0.978 | 40.650 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 308 | ILE | 0 | -0.032 | -0.014 | 39.050 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 309 | PRO | 0 | 0.005 | -0.008 | 38.182 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 310 | TYR | 0 | -0.016 | -0.023 | 41.263 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 311 | LYS | 1 | 0.947 | 0.988 | 43.398 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 312 | ASP | -1 | -0.904 | -0.956 | 44.218 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 313 | VAL | 0 | -0.036 | 0.001 | 45.654 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 314 | ASP | -1 | -0.892 | -0.948 | 45.269 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 315 | SER | 0 | 0.032 | -0.002 | 42.228 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 316 | SER | 0 | 0.013 | 0.006 | 44.064 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 317 | ALA | 0 | 0.015 | 0.016 | 46.776 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 318 | ILE | 0 | 0.011 | 0.010 | 42.341 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 319 | ILE | 0 | -0.012 | -0.011 | 41.629 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 320 | TRP | 0 | 0.017 | 0.016 | 44.328 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 321 | GLY | 0 | 0.025 | 0.010 | 47.855 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 322 | VAL | 0 | -0.010 | -0.017 | 41.824 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 323 | GLY | 0 | 0.033 | 0.019 | 44.311 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 324 | SER | 0 | -0.025 | -0.005 | 45.214 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 325 | ASN | 0 | -0.102 | -0.032 | 45.577 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 326 | SER | 0 | -0.035 | -0.033 | 47.469 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 327 | LEU | 0 | -0.011 | -0.001 | 46.479 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 328 | HIS | 0 | -0.064 | -0.038 | 44.370 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 329 | LEU | 0 | 0.010 | 0.025 | 40.853 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 330 | PRO | 0 | 0.019 | 0.033 | 45.200 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 331 | VAL | 0 | -0.004 | -0.001 | 46.031 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 332 | PRO | 0 | 0.035 | 0.022 | 46.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 333 | SER | 0 | -0.010 | -0.029 | 49.773 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 334 | SER | 0 | 0.005 | 0.009 | 52.098 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 335 | CYS | 0 | -0.039 | 0.009 | 46.308 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 336 | PRO | 0 | 0.075 | 0.021 | 45.975 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 337 | ASP | -1 | -0.844 | -0.935 | 47.290 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 338 | GLY | 0 | 0.034 | 0.025 | 45.610 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 339 | PHE | 0 | 0.045 | 0.002 | 39.534 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 340 | LYS | 1 | 0.847 | 0.933 | 44.028 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 341 | ILE | 0 | -0.021 | -0.017 | 45.468 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 342 | LEU | 0 | -0.006 | 0.003 | 38.361 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 343 | LEU | 0 | 0.021 | 0.014 | 40.535 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 344 | ARG | 1 | 0.984 | 0.983 | 42.587 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 345 | GLN | 0 | -0.067 | -0.021 | 42.452 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 346 | CYS | 0 | -0.038 | -0.033 | 38.522 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 347 | TRP | 0 | 0.012 | 0.004 | 39.287 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 348 | ASN | 0 | -0.003 | 0.008 | 42.373 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 349 | SER | 0 | 0.055 | 0.023 | 42.708 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 350 | LYS | 1 | 0.912 | 0.958 | 43.448 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 351 | PRO | 0 | 0.095 | 0.040 | 38.271 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 352 | ARG | 1 | 0.934 | 0.958 | 39.515 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 353 | ASN | 0 | -0.033 | -0.013 | 40.983 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 354 | ARG | 1 | 0.743 | 0.882 | 37.522 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 355 | PRO | 0 | 0.063 | 0.043 | 38.263 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 356 | SER | 0 | -0.004 | -0.026 | 34.057 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 357 | PHE | 0 | 0.124 | 0.044 | 30.511 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 358 | ARG | 1 | 0.954 | 0.999 | 32.968 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 359 | GLN | 0 | -0.040 | -0.025 | 33.894 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 360 | ILE | 0 | 0.021 | 0.018 | 34.607 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 361 | LEU | 0 | 0.005 | 0.007 | 30.755 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 362 | LEU | 0 | -0.014 | 0.011 | 35.317 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 363 | HIS | 0 | -0.004 | -0.025 | 38.607 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 364 | LEU | 0 | -0.012 | -0.010 | 35.126 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 365 | ASP | -1 | -0.905 | -0.945 | 37.569 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 366 | ILE | 0 | -0.007 | 0.010 | 39.089 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 367 | ALA | 0 | -0.015 | -0.011 | 41.884 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 368 | SER | 0 | -0.050 | -0.045 | 39.357 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 369 | ALA | 0 | 0.033 | 0.022 | 41.292 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 370 | ASP | -1 | -0.914 | -0.950 | 44.361 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 371 | VAL | 0 | -0.036 | -0.030 | 41.728 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 372 | LEU | 0 | -0.003 | 0.000 | 39.121 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 373 | SER | 0 | -0.061 | -0.011 | 43.350 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 374 | THR | 0 | -0.062 | -0.022 | 46.272 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 375 | PRO | 0 | 0.001 | -0.006 | 46.257 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 376 | GLN | 0 | 0.065 | 0.012 | 41.568 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 377 | GLU | -1 | -0.885 | -0.937 | 45.677 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 378 | THR | 0 | -0.038 | -0.023 | 48.711 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 379 | TYR | 0 | 0.052 | 0.026 | 41.736 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 380 | PHE | 0 | 0.015 | -0.004 | 41.132 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 381 | LYS | 1 | 0.910 | 0.965 | 46.853 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 382 | SER | 0 | -0.010 | -0.001 | 48.816 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 383 | GLN | 0 | -0.014 | -0.019 | 41.482 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 384 | ALA | 0 | -0.043 | -0.023 | 47.010 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 385 | GLU | -1 | -0.904 | -0.950 | 49.035 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 386 | TRP | 0 | -0.061 | -0.045 | 44.529 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 387 | ARG | 1 | 0.888 | 0.948 | 41.780 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 388 | GLU | -1 | -0.932 | -0.962 | 47.859 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 389 | GLU | -1 | -0.834 | -0.898 | 51.124 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 390 | VAL | 0 | -0.067 | -0.045 | 45.948 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 391 | LYS | 1 | 0.950 | 0.987 | 47.568 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 392 | LEU | 0 | 0.077 | 0.052 | 50.070 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 393 | HIS | 0 | -0.057 | -0.045 | 50.412 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 394 | PHE | 0 | -0.036 | -0.036 | 44.861 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 395 | GLU | -1 | -0.915 | -0.947 | 50.173 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 396 | LYS | 1 | 0.860 | 0.958 | 53.328 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 397 | ILE | 0 | -0.041 | -0.012 | 48.966 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |