![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: MNG8Z
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 | 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 | 326 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4796170.140647 |
---|---|
FMO2-HF: Nuclear repulsion | 4671730.539758 |
FMO2-HF: Total energy | -124439.600889 |
FMO2-MP2: Total energy | -124807.004571 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F038735/ligand_interaction/ligand_F038735.png)
Ligand Interaction
![ligand interaction](./Kdata/F038735/ligand_interaction/ligand_interaction_F038735.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. |
-3.1 | -1.98 | 7.169 | -2.8 | -5.487 | -0.001 |
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 | -0.001 | 0.017 | 1.894 | -2.103 | -1.469 | 6.606 | -2.854 | -4.385 | 0.007 |
4 | A | 128 | ARG | 1 | 0.988 | 0.992 | 2.756 | -1.286 | -0.800 | 0.563 | 0.054 | -1.102 | -0.008 |
5 | A | 129 | VAL | 0 | 0.020 | 0.006 | 5.119 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 130 | LEU | 0 | -0.055 | -0.031 | 7.592 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 131 | ALA | 0 | 0.051 | 0.028 | 11.354 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 132 | PHE | 0 | -0.029 | -0.016 | 14.440 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 133 | LYS | 1 | 0.986 | 0.971 | 17.917 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 134 | LEU | 0 | -0.061 | -0.021 | 19.909 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 135 | ASP | -1 | -0.841 | -0.896 | 22.528 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 136 | ALA | 0 | -0.059 | -0.034 | 24.193 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 137 | PRO | 0 | -0.024 | -0.023 | 25.716 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 138 | GLU | -1 | -0.900 | -0.937 | 29.433 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 139 | ALA | 0 | -0.040 | -0.019 | 31.228 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 140 | LYS | 1 | 0.953 | 0.969 | 33.276 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 141 | LYS | 1 | 0.949 | 0.961 | 36.329 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 142 | PRO | 0 | 0.002 | 0.011 | 38.622 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 143 | VAL | 0 | 0.021 | 0.006 | 41.018 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 144 | ASP | -1 | -0.968 | -0.967 | 42.999 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 162 | ARG | 1 | 0.856 | 0.910 | 66.254 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 163 | ARG | 1 | 0.960 | 0.988 | 66.345 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 164 | PHE | 0 | 0.052 | 0.023 | 62.709 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 165 | ASN | 0 | 0.002 | -0.003 | 66.798 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 166 | THR | 0 | 0.019 | -0.001 | 62.732 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 167 | THR | 0 | -0.026 | 0.001 | 62.857 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 168 | PRO | 0 | -0.023 | 0.002 | 61.779 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 169 | GLU | -1 | -0.839 | -0.906 | 64.446 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 170 | ARG | 1 | 0.925 | 0.968 | 65.348 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 171 | VAL | 0 | 0.003 | -0.010 | 60.340 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 172 | LEU | 0 | -0.065 | -0.026 | 61.265 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 173 | ASP | -1 | -0.859 | -0.926 | 58.051 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 174 | ALA | 0 | -0.071 | -0.038 | 55.155 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 175 | PRO | 0 | 0.032 | 0.027 | 53.979 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 176 | GLY | 0 | 0.050 | 0.008 | 50.238 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 177 | ILE | 0 | -0.076 | -0.021 | 49.699 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 178 | ILE | 0 | 0.030 | 0.014 | 44.327 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 179 | ASP | -1 | -0.823 | -0.885 | 43.605 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 180 | ASP | -1 | -0.824 | -0.932 | 41.122 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 181 | TYR | 0 | -0.015 | -0.018 | 41.748 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 182 | TYR | 0 | -0.114 | -0.065 | 38.097 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 183 | LEU | 0 | -0.005 | 0.029 | 43.275 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 184 | ASN | 0 | -0.098 | -0.087 | 46.399 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 185 | LEU | 0 | 0.025 | 0.021 | 48.333 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 186 | LEU | 0 | 0.022 | 0.019 | 52.188 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 187 | ASP | -1 | -0.846 | -0.925 | 55.519 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 188 | TRP | 0 | -0.039 | -0.022 | 58.349 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 189 | SER | 0 | 0.040 | 0.033 | 62.098 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 190 | ASN | 0 | -0.010 | -0.055 | 64.465 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 191 | LEU | 0 | -0.032 | 0.003 | 67.552 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 192 | ASN | 0 | -0.028 | -0.016 | 67.726 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 193 | VAL | 0 | -0.011 | 0.004 | 64.387 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 194 | VAL | 0 | -0.008 | 0.008 | 60.485 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 195 | ALA | 0 | 0.011 | 0.008 | 58.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 196 | VAL | 0 | 0.000 | -0.014 | 55.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 197 | ALA | 0 | -0.026 | -0.015 | 51.847 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 198 | LEU | 0 | -0.031 | -0.015 | 52.124 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 199 | GLU | -1 | -0.890 | -0.950 | 48.494 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 200 | ARG | 1 | 0.865 | 0.949 | 49.121 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 201 | ASN | 0 | 0.020 | 0.004 | 51.227 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 202 | VAL | 0 | -0.024 | 0.009 | 54.538 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 203 | TYR | 0 | 0.026 | 0.014 | 56.576 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 204 | VAL | 0 | -0.011 | -0.019 | 59.778 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 205 | TRP | 0 | 0.015 | 0.007 | 62.686 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 206 | ASN | 0 | 0.029 | 0.023 | 65.023 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 207 | ALA | 0 | 0.016 | 0.010 | 67.432 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 208 | ASP | -1 | -0.925 | -0.952 | 68.965 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 209 | SER | 0 | -0.068 | -0.053 | 72.049 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 210 | GLY | 0 | 0.010 | -0.001 | 69.312 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 211 | SER | 0 | -0.077 | -0.031 | 69.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 212 | VAL | 0 | 0.033 | 0.004 | 63.639 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 213 | SER | 0 | -0.065 | -0.075 | 64.562 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 214 | ALA | 0 | 0.016 | 0.010 | 60.153 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 215 | LEU | 0 | -0.057 | -0.012 | 59.229 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 216 | ALA | 0 | -0.013 | -0.025 | 56.682 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 217 | GLU | -1 | -0.868 | -0.925 | 54.317 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 218 | THR | 0 | -0.099 | -0.048 | 49.761 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 219 | ASP | -1 | -0.803 | -0.871 | 48.050 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 220 | GLU | -1 | -0.919 | -0.973 | 47.097 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 221 | SER | 0 | -0.123 | -0.084 | 44.083 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 222 | THR | 0 | -0.073 | -0.049 | 43.913 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 223 | TYR | 0 | 0.045 | 0.029 | 41.709 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 224 | VAL | 0 | 0.033 | 0.016 | 47.503 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 225 | ALA | 0 | -0.032 | -0.021 | 45.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 226 | SER | 0 | -0.018 | -0.033 | 47.695 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 227 | VAL | 0 | 0.034 | 0.028 | 50.802 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 228 | LYS | 1 | 0.891 | 0.952 | 54.600 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 229 | TRP | 0 | 0.070 | 0.032 | 57.007 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 230 | SER | 0 | -0.025 | -0.011 | 60.661 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 231 | HIS | 0 | -0.001 | -0.016 | 62.507 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 232 | ASP | -1 | -0.859 | -0.921 | 64.801 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 233 | GLY | 0 | -0.027 | -0.015 | 65.264 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 234 | SER | 0 | 0.024 | 0.018 | 66.294 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 235 | PHE | 0 | -0.014 | -0.017 | 62.529 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 236 | LEU | 0 | -0.010 | 0.007 | 58.138 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 237 | SER | 0 | -0.079 | -0.043 | 55.896 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 238 | VAL | 0 | 0.066 | 0.017 | 52.700 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 239 | GLY | 0 | -0.005 | 0.006 | 50.163 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 240 | LEU | 0 | 0.023 | 0.016 | 48.208 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 241 | GLY | 0 | 0.040 | 0.003 | 44.253 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 242 | ASN | 0 | 0.017 | -0.011 | 42.880 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 243 | GLY | 0 | -0.021 | -0.002 | 44.448 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 244 | LEU | 0 | -0.037 | -0.022 | 45.800 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 245 | VAL | 0 | 0.008 | -0.003 | 49.381 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 246 | ASP | -1 | -0.815 | -0.877 | 52.344 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 247 | ILE | 0 | -0.039 | -0.029 | 55.477 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 248 | TYR | 0 | 0.062 | 0.019 | 56.404 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 249 | ASP | -1 | -0.785 | -0.873 | 61.578 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 250 | VAL | 0 | -0.021 | 0.001 | 65.290 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 251 | GLU | -1 | -0.928 | -0.962 | 66.161 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 252 | SER | 0 | -0.102 | -0.062 | 68.326 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 253 | GLN | 0 | 0.034 | 0.053 | 64.838 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 254 | THR | 0 | -0.018 | -0.005 | 63.955 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 255 | LYS | 1 | 0.856 | 0.912 | 56.594 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 256 | LEU | 0 | -0.039 | -0.007 | 61.409 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 257 | ARG | 1 | 0.804 | 0.886 | 58.365 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 258 | THR | 0 | 0.026 | -0.001 | 53.125 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 259 | MET | 0 | -0.091 | -0.032 | 53.849 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 260 | ALA | 0 | 0.056 | 0.029 | 49.084 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 261 | GLY | 0 | 0.017 | -0.012 | 47.519 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 262 | HIS | 0 | -0.047 | -0.016 | 45.042 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 263 | GLN | 0 | -0.025 | -0.023 | 40.024 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 264 | ALA | 0 | -0.006 | -0.006 | 39.423 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 265 | ARG | 1 | 0.842 | 0.919 | 39.553 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 266 | VAL | 0 | -0.023 | 0.004 | 43.295 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 267 | GLY | 0 | 0.070 | 0.042 | 45.613 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 268 | CYS | 0 | -0.064 | -0.003 | 46.504 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 269 | LEU | 0 | 0.015 | 0.017 | 49.381 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 270 | SER | 0 | 0.003 | 0.001 | 52.743 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 271 | TRP | 0 | 0.005 | 0.011 | 55.580 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 272 | ASN | 0 | -0.047 | -0.016 | 58.972 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 273 | ARG | 1 | 0.943 | 0.968 | 60.923 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 274 | HIS | 0 | 0.028 | 0.010 | 63.143 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 275 | VAL | 0 | -0.029 | -0.015 | 57.727 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 276 | LEU | 0 | 0.014 | 0.026 | 55.021 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 277 | SER | 0 | -0.035 | -0.045 | 52.920 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 278 | SER | 0 | 0.008 | -0.010 | 50.044 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 279 | GLY | 0 | 0.051 | 0.021 | 47.143 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 280 | SER | 0 | 0.038 | 0.016 | 43.085 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 281 | ARG | 1 | 0.981 | 0.987 | 34.777 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 282 | SER | 0 | -0.037 | -0.029 | 38.559 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 283 | GLY | 0 | 0.020 | 0.023 | 39.139 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 284 | ALA | 0 | -0.049 | -0.019 | 41.222 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 285 | ILE | 0 | 0.006 | -0.009 | 44.054 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 286 | HIS | 0 | -0.024 | -0.007 | 46.010 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 287 | HIS | 0 | 0.043 | 0.041 | 50.290 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 288 | HIS | 0 | 0.031 | 0.021 | 51.542 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 289 | ASP | -1 | -0.778 | -0.892 | 56.144 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 290 | VAL | 0 | 0.042 | 0.002 | 58.894 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 291 | ARG | 1 | 0.831 | 0.908 | 60.811 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 292 | ILE | 0 | -0.029 | 0.005 | 59.926 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 293 | ALA | 0 | 0.029 | 0.014 | 60.484 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 294 | ASN | 0 | -0.010 | -0.012 | 55.557 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 295 | HIS | 0 | 0.073 | 0.038 | 52.327 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 296 | GLN | 0 | -0.033 | 0.013 | 49.102 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 297 | ILE | 0 | -0.004 | -0.007 | 54.594 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 298 | GLY | 0 | -0.001 | -0.006 | 52.905 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 299 | THR | 0 | -0.017 | 0.000 | 47.665 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 300 | LEU | 0 | -0.037 | -0.009 | 48.130 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 301 | GLN | 0 | 0.020 | 0.007 | 41.017 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 302 | GLY | 0 | -0.008 | -0.009 | 43.990 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 303 | HIS | 0 | -0.008 | 0.037 | 41.231 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 304 | SER | 0 | -0.016 | 0.003 | 35.800 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 305 | SER | 0 | -0.012 | -0.022 | 35.753 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 306 | GLU | -1 | -0.762 | -0.862 | 37.694 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 307 | VAL | 0 | -0.012 | 0.007 | 40.208 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 308 | CYS | 0 | -0.092 | -0.029 | 42.293 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 309 | GLY | 0 | 0.057 | 0.034 | 45.056 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 310 | LEU | 0 | -0.018 | -0.023 | 48.476 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 311 | ALA | 0 | 0.008 | 0.003 | 51.120 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 312 | TRP | 0 | -0.011 | -0.006 | 54.797 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 313 | ARG | 1 | 0.781 | 0.865 | 57.616 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 314 | SER | 0 | 0.028 | 0.016 | 60.371 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 315 | ASP | -1 | -0.764 | -0.856 | 63.586 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 316 | GLY | 0 | -0.025 | -0.019 | 61.347 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 317 | LEU | 0 | -0.065 | -0.031 | 61.201 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 318 | GLN | 0 | -0.062 | -0.042 | 57.214 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 319 | LEU | 0 | 0.029 | 0.031 | 52.082 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 320 | ALA | 0 | -0.022 | -0.007 | 52.139 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 321 | SER | 0 | -0.005 | -0.042 | 46.926 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 322 | GLY | 0 | 0.026 | 0.014 | 46.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 323 | GLY | 0 | 0.054 | 0.026 | 42.469 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 324 | ASN | 0 | 0.032 | -0.016 | 35.965 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 325 | ASP | -1 | -0.813 | -0.896 | 37.250 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 326 | ASN | 0 | -0.021 | -0.010 | 36.982 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 327 | VAL | 0 | -0.030 | 0.008 | 40.490 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 328 | VAL | 0 | -0.006 | -0.008 | 43.052 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 329 | GLN | 0 | -0.001 | 0.009 | 44.301 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 330 | ILE | 0 | -0.014 | -0.008 | 48.400 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 331 | TRP | 0 | 0.059 | 0.026 | 46.891 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 332 | ASP | -1 | -0.810 | -0.912 | 53.398 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 333 | ALA | 0 | 0.015 | -0.003 | 56.042 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 334 | ARG | 1 | 0.838 | 0.910 | 57.478 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 335 | SER | 0 | -0.054 | -0.014 | 53.596 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 336 | SER | 0 | 0.056 | 0.024 | 50.144 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 337 | ILE | 0 | -0.031 | -0.011 | 49.525 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 338 | PRO | 0 | 0.026 | 0.014 | 47.019 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 339 | LYS | 1 | 0.844 | 0.935 | 50.269 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 340 | PHE | 0 | -0.046 | -0.041 | 50.798 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 341 | THR | 0 | 0.020 | 0.003 | 44.263 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 342 | LYS | 1 | 0.811 | 0.911 | 46.787 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 343 | THR | 0 | 0.084 | 0.025 | 41.362 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 344 | ASN | 0 | -0.060 | -0.033 | 42.278 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 345 | HIS | 0 | -0.034 | 0.002 | 43.545 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 346 | ASN | 0 | 0.019 | 0.003 | 38.829 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 347 | ALA | 0 | -0.065 | -0.030 | 38.624 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 348 | ALA | 0 | 0.024 | 0.027 | 39.962 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 349 | VAL | 0 | -0.024 | -0.009 | 41.373 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 350 | LYS | 1 | 0.872 | 0.940 | 45.017 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 351 | ALA | 0 | -0.011 | 0.020 | 46.692 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 352 | VAL | 0 | 0.009 | -0.010 | 49.555 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 353 | ALA | 0 | 0.016 | 0.012 | 52.232 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 354 | TRP | 0 | -0.001 | -0.005 | 55.922 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 355 | CYS | 0 | -0.055 | -0.003 | 58.880 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 356 | PRO | 0 | 0.024 | 0.014 | 61.787 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 357 | TRP | 0 | -0.035 | -0.012 | 64.095 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 358 | GLN | 0 | -0.011 | -0.025 | 63.547 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 359 | SER | 0 | 0.053 | 0.028 | 63.438 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 360 | ASN | 0 | -0.008 | -0.010 | 60.928 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 361 | LEU | 0 | -0.023 | 0.020 | 58.756 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 362 | LEU | 0 | -0.008 | 0.002 | 52.732 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 363 | ALA | 0 | 0.002 | 0.003 | 54.645 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 364 | THR | 0 | 0.006 | -0.020 | 49.256 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 365 | GLY | 0 | 0.006 | -0.006 | 48.966 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 366 | GLY | 0 | 0.025 | 0.033 | 44.871 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 367 | GLY | 0 | 0.037 | 0.010 | 42.186 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 368 | THR | 0 | 0.034 | -0.020 | 39.294 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 369 | MET | 0 | -0.009 | -0.004 | 35.424 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 370 | ASP | -1 | -0.790 | -0.867 | 39.377 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 371 | LYS | 1 | 0.896 | 0.965 | 42.505 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 372 | GLN | 0 | 0.000 | 0.025 | 45.657 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 373 | ILE | 0 | 0.023 | 0.008 | 47.984 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 374 | HIS | 0 | -0.006 | 0.010 | 46.512 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 375 | PHE | 0 | 0.045 | 0.008 | 51.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 376 | TRP | 0 | -0.006 | -0.025 | 48.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 377 | ASN | 0 | 0.027 | 0.034 | 55.422 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 378 | ALA | 0 | 0.045 | -0.003 | 56.416 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 379 | ALA | 0 | -0.057 | -0.032 | 57.475 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 380 | THR | 0 | 0.001 | -0.020 | 58.575 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 381 | GLY | 0 | 0.032 | 0.036 | 54.463 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 382 | ALA | 0 | -0.017 | -0.010 | 53.583 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 383 | ARG | 1 | 0.954 | 0.979 | 49.417 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 384 | VAL | 0 | -0.062 | -0.041 | 54.200 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 385 | ASN | 0 | 0.009 | -0.008 | 55.707 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 386 | THR | 0 | -0.078 | -0.056 | 50.814 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 387 | VAL | 0 | -0.002 | 0.012 | 52.279 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 388 | ASP | -1 | -0.814 | -0.894 | 48.416 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 389 | ALA | 0 | -0.051 | -0.047 | 49.517 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 390 | GLY | 0 | 0.019 | 0.019 | 48.004 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 391 | SER | 0 | 0.022 | -0.006 | 46.181 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 392 | GLN | 0 | -0.024 | 0.003 | 41.657 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 393 | VAL | 0 | -0.003 | 0.001 | 45.284 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 394 | THR | 0 | -0.046 | -0.060 | 46.570 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 395 | SER | 0 | -0.018 | -0.013 | 48.706 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 396 | LEU | 0 | 0.023 | -0.004 | 51.958 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 397 | ILE | 0 | 0.011 | 0.013 | 54.850 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 398 | TRP | 0 | -0.007 | -0.014 | 58.159 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 399 | SER | 0 | 0.007 | -0.013 | 61.304 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 400 | PRO | 0 | 0.045 | 0.016 | 64.600 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 401 | HIS | 1 | 0.792 | 0.874 | 67.264 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 402 | SER | 0 | -0.018 | 0.015 | 67.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 403 | LYS | 1 | 0.922 | 0.970 | 66.427 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 404 | GLU | -1 | -0.797 | -0.906 | 63.473 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 405 | ILE | 0 | -0.020 | -0.011 | 56.930 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 406 | MET | 0 | -0.013 | 0.007 | 58.687 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 407 | SER | 0 | 0.018 | 0.003 | 53.113 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 408 | THR | 0 | 0.007 | 0.029 | 51.610 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 409 | HIS | 0 | 0.024 | 0.018 | 49.181 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 410 | GLY | 0 | 0.044 | 0.002 | 45.837 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 411 | PHE | 0 | -0.019 | -0.001 | 40.234 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 412 | PRO | 0 | -0.081 | -0.059 | 44.174 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 413 | ASP | -1 | -0.816 | -0.917 | 45.427 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 414 | ASN | 0 | -0.033 | 0.012 | 47.571 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 415 | ASN | 0 | 0.025 | 0.006 | 50.285 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 416 | LEU | 0 | -0.017 | -0.006 | 53.429 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 417 | SER | 0 | -0.046 | -0.043 | 55.568 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 418 | ILE | 0 | -0.039 | -0.016 | 57.374 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 419 | TRP | 0 | 0.023 | -0.005 | 53.963 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 420 | SER | 0 | 0.005 | 0.006 | 60.569 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 421 | TYR | 0 | 0.016 | -0.004 | 58.918 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 422 | SER | 0 | -0.014 | -0.012 | 62.557 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 423 | SER | 0 | 0.012 | -0.015 | 62.371 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 424 | SER | 0 | -0.006 | 0.002 | 62.114 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 425 | GLY | 0 | 0.027 | 0.031 | 59.760 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 426 | LEU | 0 | -0.054 | -0.025 | 56.965 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 427 | THR | 0 | -0.009 | 0.012 | 59.224 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 428 | LYS | 1 | 0.886 | 0.953 | 54.107 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 429 | GLN | 0 | -0.063 | -0.025 | 59.936 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 430 | VAL | 0 | -0.004 | -0.013 | 61.345 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 431 | ASP | -1 | -0.811 | -0.890 | 55.792 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 432 | ILE | 0 | -0.030 | -0.013 | 57.975 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 433 | PRO | 0 | 0.051 | 0.034 | 54.826 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 434 | ALA | 0 | 0.005 | -0.004 | 54.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 435 | HIS | 0 | -0.049 | -0.026 | 52.596 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 436 | ASP | -1 | -0.887 | -0.930 | 51.402 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 437 | THR | 0 | -0.064 | -0.039 | 47.189 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 438 | ARG | 1 | 0.838 | 0.924 | 41.842 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 439 | VAL | 0 | 0.022 | 0.016 | 47.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 440 | LEU | 0 | -0.050 | 0.011 | 45.224 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 441 | TYR | 0 | -0.009 | -0.025 | 47.520 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 442 | SER | 0 | -0.026 | -0.037 | 52.307 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 443 | ALA | 0 | 0.030 | 0.031 | 55.730 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 444 | LEU | 0 | -0.048 | -0.018 | 58.822 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 445 | SER | 0 | 0.039 | 0.002 | 62.180 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 446 | PRO | 0 | 0.081 | 0.058 | 65.521 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 447 | ASP | -1 | -0.848 | -0.898 | 67.524 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 448 | GLY | 0 | -0.022 | -0.025 | 66.454 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 449 | ARG | 1 | 0.867 | 0.932 | 67.279 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 450 | ILE | 0 | 0.022 | 0.011 | 64.710 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 451 | LEU | 0 | -0.007 | 0.012 | 58.245 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 452 | SER | 0 | -0.035 | -0.007 | 60.002 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 453 | THR | 0 | -0.012 | -0.039 | 55.475 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 454 | ALA | 0 | 0.039 | 0.015 | 53.930 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 455 | ALA | 0 | -0.047 | -0.020 | 50.499 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 456 | SER | 0 | 0.004 | -0.011 | 46.522 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 457 | ASP | -1 | -0.780 | -0.889 | 49.351 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 458 | GLU | -1 | -0.849 | -0.921 | 51.316 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 459 | ASN | 0 | -0.014 | 0.018 | 53.642 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 460 | LEU | 0 | 0.003 | -0.004 | 55.864 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 461 | LYS | 1 | 0.859 | 0.926 | 57.058 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 462 | PHE | 0 | 0.008 | 0.001 | 60.294 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 463 | TRP | 0 | -0.005 | -0.021 | 58.413 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 464 | ARG | 1 | 0.874 | 0.926 | 63.962 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 465 | VAL | 0 | -0.012 | -0.015 | 62.743 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 466 | TYR | 0 | -0.083 | -0.046 | 66.023 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 467 | ASP | -1 | -0.932 | -0.967 | 69.284 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |