FMODB ID: 9GNR2
Calculation Name: 4F43-A-Xray318
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4F43
Chain ID: A
UniProt ID: Q7CWV1
Base Structure: X-ray
Registration Date: 2021-09-07
Reference: C. Watanabe, S. Koyama, K. Kamisaka, D. Takaya, T. Honma et. al., Interaction energy analysis of Apo structure dataset on FMODB, To be pubulished.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 1.20200129 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 320 |
LigandCharge | |
Software | ABINIT-MP - Open Ver.1 Rev. 15 / 20190524 |
Total energy (hartree)
FMO2-HF: Electronic energy | -4534330.193446 |
---|---|
FMO2-HF: Nuclear repulsion | 4407365.759167 |
FMO2-HF: Total energy | -126964.434279 |
FMO2-MP2: Total energy | -127332.592505 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:102:ASP )
Summations of interaction energy for
fragment #1(A:102:ASP )
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. |
-29.998 | -20.078 | 11.323 | -9.687 | -11.554 | 0.065 |
Interaction energy analysis for fragmet #1(A:102:ASP )
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 | 104 | PRO | 0 | 0.008 | 0.018 | 3.804 | -5.402 | -3.359 | -0.003 | -0.827 | -1.214 | 0.004 |
4 | A | 105 | LYS | 1 | 1.028 | 1.006 | 3.697 | -27.089 | -26.453 | 0.010 | -0.153 | -0.493 | -0.001 |
5 | A | 106 | THR | 0 | -0.022 | -0.014 | 5.237 | -2.274 | -2.187 | 0.000 | -0.001 | -0.085 | 0.000 |
6 | A | 107 | GLY | 0 | 0.012 | 0.003 | 8.639 | 0.318 | 0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 108 | VAL | 0 | -0.001 | -0.001 | 10.647 | -0.333 | -0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 109 | ALA | 0 | 0.024 | 0.017 | 14.053 | -0.361 | -0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 110 | THR | 0 | 0.051 | 0.011 | 15.820 | -0.487 | -0.487 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 111 | SER | 0 | -0.001 | -0.011 | 19.052 | -1.095 | -1.095 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 112 | ILE | 0 | -0.087 | -0.057 | 18.325 | -0.864 | -0.864 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 113 | VAL | 0 | 0.054 | 0.027 | 18.915 | -0.566 | -0.566 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 114 | GLU | -1 | -0.841 | -0.910 | 21.643 | 12.180 | 12.180 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 115 | LYS | 1 | 0.797 | 0.891 | 24.003 | -13.369 | -13.369 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 116 | ILE | 0 | -0.061 | -0.025 | 22.242 | -0.435 | -0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 117 | GLU | -1 | -0.897 | -0.949 | 24.707 | 11.978 | 11.978 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 118 | ARG | 1 | 0.911 | 0.952 | 27.651 | -11.278 | -11.278 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 119 | ALA | 0 | -0.084 | -0.048 | 29.230 | -0.388 | -0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 120 | GLU | -1 | -0.964 | -0.959 | 29.162 | 10.624 | 10.624 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 121 | PHE | 0 | -0.031 | -0.012 | 31.451 | -0.319 | -0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 122 | ASN | 0 | 0.001 | 0.005 | 33.093 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 123 | THR | 0 | -0.014 | -0.006 | 36.590 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 124 | ALA | 0 | 0.007 | 0.002 | 38.838 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 125 | GLY | 0 | 0.018 | 0.014 | 36.299 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 126 | ARG | 1 | 0.921 | 0.949 | 32.472 | -9.621 | -9.621 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 127 | LYS | 1 | 1.048 | 1.022 | 30.257 | -9.641 | -9.641 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 128 | PRO | 0 | 0.054 | 0.040 | 26.388 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 129 | THR | 0 | 0.019 | -0.011 | 25.676 | 0.518 | 0.518 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 130 | VAL | 0 | 0.011 | 0.004 | 22.575 | 0.470 | 0.470 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 131 | LEU | 0 | -0.006 | -0.008 | 21.606 | 0.664 | 0.664 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 132 | LEU | 0 | 0.046 | 0.025 | 20.926 | 0.611 | 0.611 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 133 | ARG | 1 | 0.901 | 0.966 | 19.534 | -15.121 | -15.121 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 134 | ILE | 0 | -0.028 | -0.015 | 16.631 | 0.998 | 0.998 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 135 | ALA | 0 | 0.000 | 0.004 | 16.001 | 1.403 | 1.403 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 136 | ASP | -1 | -0.871 | -0.944 | 16.143 | 16.967 | 16.967 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 137 | PHE | 0 | -0.058 | -0.023 | 11.629 | 1.606 | 1.606 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 138 | ILE | 0 | -0.016 | -0.024 | 11.449 | 2.194 | 2.194 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 139 | ALA | 0 | 0.007 | 0.011 | 11.387 | 1.927 | 1.927 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 140 | ALA | 0 | -0.011 | -0.007 | 12.140 | 0.922 | 0.922 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 141 | MET | 0 | -0.057 | -0.021 | 6.974 | 0.874 | 0.874 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 142 | ASN | 0 | -0.049 | -0.025 | 6.875 | 5.561 | 5.561 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 143 | GLY | 0 | -0.053 | -0.033 | 7.024 | -2.699 | -2.699 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 144 | MET | 0 | -0.076 | -0.026 | 5.293 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 145 | ASP | -1 | -0.873 | -0.928 | 2.915 | 56.803 | 58.805 | 0.576 | -1.033 | -1.545 | 0.008 |
45 | A | 146 | ALA | 0 | 0.000 | 0.018 | 3.271 | 6.995 | 7.760 | 0.259 | -0.320 | -0.703 | 0.001 |
46 | A | 147 | LYS | 1 | 0.984 | 0.950 | 3.764 | -49.963 | -49.251 | 0.005 | -0.212 | -0.505 | 0.001 |
47 | A | 148 | GLN | 0 | -0.017 | -0.008 | 6.080 | -5.836 | -5.836 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 149 | ASP | -1 | -0.838 | -0.918 | 8.879 | 27.017 | 27.017 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 150 | MET | 0 | -0.028 | -0.005 | 2.524 | -11.226 | -9.328 | 1.473 | -1.550 | -1.821 | 0.021 |
50 | A | 151 | GLN | 0 | -0.046 | -0.032 | 8.618 | -1.559 | -1.559 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 152 | ALA | 0 | 0.037 | 0.028 | 11.376 | -2.321 | -2.321 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 153 | LEU | 0 | 0.003 | 0.009 | 10.507 | -2.077 | -2.077 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 154 | TRP | 0 | -0.025 | -0.021 | 12.306 | -1.773 | -1.773 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 155 | ASP | -1 | -0.838 | -0.914 | 13.945 | 18.885 | 18.885 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 156 | ALA | 0 | -0.021 | -0.008 | 16.472 | -1.590 | -1.590 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 157 | GLU | -1 | -0.806 | -0.922 | 15.974 | 16.884 | 16.884 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 158 | ILE | 0 | -0.061 | -0.030 | 17.523 | -1.266 | -1.266 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 159 | ALA | 0 | -0.033 | -0.016 | 19.682 | -1.052 | -1.052 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 160 | ILE | 0 | -0.052 | -0.011 | 20.770 | -1.018 | -1.018 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 161 | MET | 0 | -0.073 | -0.015 | 19.940 | -1.164 | -1.164 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 162 | ASN | 0 | 0.005 | -0.002 | 24.669 | -0.470 | -0.470 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 163 | GLY | 0 | 0.045 | 0.030 | 26.625 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 164 | ARG | 1 | 0.861 | 0.914 | 27.925 | -10.986 | -10.986 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 165 | ALA | 0 | 0.048 | 0.028 | 29.996 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 166 | GLN | 0 | 0.125 | 0.043 | 27.618 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 167 | THR | 0 | 0.013 | 0.007 | 26.616 | 0.460 | 0.460 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 168 | THR | 0 | -0.008 | 0.002 | 26.723 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 169 | ILE | 0 | 0.070 | 0.036 | 22.978 | 0.388 | 0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 170 | ILE | 0 | 0.018 | 0.017 | 22.427 | 0.722 | 0.722 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 171 | SER | 0 | -0.048 | -0.038 | 21.850 | 0.490 | 0.490 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 172 | TYR | 0 | -0.011 | -0.029 | 21.867 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 173 | ILE | 0 | 0.048 | 0.047 | 17.095 | 0.695 | 0.695 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 174 | THR | 0 | -0.061 | -0.025 | 17.410 | 0.997 | 0.997 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 175 | LYS | 1 | 0.880 | 0.941 | 18.129 | -12.921 | -12.921 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 176 | TYR | 0 | 0.031 | 0.012 | 15.261 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 177 | ARG | 1 | 0.853 | 0.901 | 12.522 | -21.097 | -21.097 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 178 | ASN | 0 | -0.036 | -0.026 | 13.469 | 1.358 | 1.358 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 179 | ALA | 0 | 0.039 | 0.029 | 14.981 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 180 | ILE | 0 | 0.008 | -0.002 | 8.765 | 0.528 | 0.528 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 181 | ARG | 1 | 0.826 | 0.904 | 10.165 | -20.054 | -20.054 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 182 | GLU | -1 | -0.874 | -0.904 | 11.977 | 17.129 | 17.129 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 183 | ALA | 0 | -0.047 | -0.008 | 10.879 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 184 | PHE | 0 | -0.039 | -0.022 | 6.044 | 1.202 | 1.202 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 185 | GLY | 0 | 0.085 | 0.038 | 8.162 | -0.323 | -0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 186 | ASP | -1 | -0.917 | -0.960 | 8.708 | 23.944 | 23.944 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 187 | ASP | -1 | -0.938 | -0.980 | 5.275 | 30.014 | 30.044 | 0.000 | -0.003 | -0.027 | 0.000 |
87 | A | 188 | HIS | 0 | 0.038 | 0.030 | 3.236 | 2.204 | 3.985 | 0.116 | -0.776 | -1.120 | 0.003 |
88 | A | 189 | PRO | 0 | 0.010 | -0.013 | 1.720 | -14.662 | -14.845 | 8.887 | -4.770 | -3.934 | 0.028 |
89 | A | 190 | MET | 0 | 0.070 | 0.054 | 4.591 | -6.492 | -6.343 | 0.000 | -0.042 | -0.107 | 0.000 |
90 | A | 191 | LEU | 0 | -0.040 | 0.005 | 7.157 | -6.098 | -6.098 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 192 | LYS | 1 | 0.858 | 0.926 | 7.612 | -31.877 | -31.877 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 193 | ILE | 0 | 0.005 | 0.020 | 7.438 | -1.558 | -1.558 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 194 | ALA | 0 | 0.034 | 0.008 | 10.795 | -2.614 | -2.614 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 195 | THR | 0 | -0.040 | -0.022 | 12.797 | -1.347 | -1.347 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 196 | GLY | 0 | -0.009 | -0.007 | 15.443 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 197 | ASP | -1 | -0.833 | -0.936 | 18.984 | 14.207 | 14.207 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 198 | ALA | 0 | 0.003 | -0.008 | 20.830 | -0.494 | -0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 199 | ALA | 0 | 0.053 | 0.040 | 22.203 | -0.530 | -0.530 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 200 | MET | 0 | -0.037 | 0.000 | 22.026 | -0.637 | -0.637 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 201 | TYR | 0 | -0.023 | -0.032 | 19.535 | -0.302 | -0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 202 | ASP | -1 | -0.864 | -0.927 | 25.252 | 11.625 | 11.625 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 203 | GLU | -1 | -0.847 | -0.919 | 27.963 | 9.316 | 9.316 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 204 | ALA | 0 | -0.044 | -0.024 | 27.697 | -0.415 | -0.415 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 205 | ARG | 1 | 0.884 | 0.937 | 27.003 | -11.574 | -11.574 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 206 | ARG | 1 | 0.923 | 0.967 | 30.554 | -9.401 | -9.401 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 207 | VAL | 0 | 0.024 | 0.011 | 33.153 | -0.355 | -0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 208 | LYS | 1 | 0.883 | 0.943 | 30.079 | -10.425 | -10.425 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 209 | MET | 0 | 0.019 | -0.005 | 33.813 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 210 | GLU | -1 | -0.874 | -0.913 | 36.372 | 8.031 | 8.031 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 211 | LYS | 1 | 0.927 | 0.962 | 35.005 | -9.263 | -9.263 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 212 | ILE | 0 | -0.037 | -0.022 | 35.974 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 213 | ALA | 0 | 0.026 | 0.017 | 40.089 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 214 | ASN | 0 | -0.041 | -0.034 | 42.360 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 215 | LYS | 1 | 0.926 | 0.952 | 41.019 | -7.821 | -7.821 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 216 | HIS | 0 | -0.009 | -0.009 | 42.818 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 217 | GLY | 0 | -0.021 | 0.010 | 45.989 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 218 | ALA | 0 | -0.050 | -0.023 | 48.262 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 219 | LEU | 0 | -0.016 | 0.003 | 47.876 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 220 | ILE | 0 | 0.012 | 0.016 | 48.037 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 221 | THR | 0 | 0.033 | 0.003 | 51.337 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 222 | PHE | 0 | -0.008 | 0.008 | 49.402 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 223 | GLU | -1 | -0.882 | -0.971 | 54.047 | 5.465 | 5.465 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 224 | ASN | 0 | -0.014 | 0.003 | 57.016 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 225 | TYR | 0 | -0.004 | -0.022 | 53.599 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 226 | ARG | 1 | 0.959 | 0.975 | 55.133 | -5.280 | -5.280 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 227 | GLN | 0 | 0.015 | 0.008 | 57.749 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 228 | VAL | 0 | 0.044 | 0.034 | 51.323 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 229 | LEU | 0 | 0.002 | -0.005 | 52.022 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 230 | LYS | 1 | 0.906 | 0.958 | 54.364 | -5.271 | -5.271 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 231 | ILE | 0 | 0.061 | 0.038 | 53.541 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 232 | CYS | 0 | -0.057 | -0.009 | 50.752 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 233 | GLU | -1 | -0.895 | -0.957 | 52.660 | 5.551 | 5.551 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 234 | ASP | -1 | -0.914 | -0.962 | 55.082 | 5.419 | 5.419 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 235 | CYS | 0 | -0.078 | -0.038 | 51.612 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 236 | LEU | 0 | -0.024 | -0.012 | 50.415 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 237 | LYS | 1 | 0.906 | 0.944 | 53.175 | -5.441 | -5.441 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 238 | SER | 0 | 0.049 | 0.047 | 53.217 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 239 | SER | 0 | -0.011 | -0.013 | 53.840 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 240 | ASP | -1 | -0.823 | -0.911 | 49.579 | 6.575 | 6.575 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 241 | PRO | 0 | 0.031 | 0.001 | 46.408 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 242 | LEU | 0 | 0.026 | 0.019 | 44.242 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 243 | MET | 0 | 0.009 | 0.005 | 46.666 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 244 | ILE | 0 | -0.014 | 0.007 | 48.529 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 245 | GLY | 0 | 0.019 | 0.007 | 45.116 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 246 | ILE | 0 | -0.002 | -0.006 | 45.488 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 247 | GLY | 0 | 0.046 | 0.014 | 46.892 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 248 | LEU | 0 | -0.010 | -0.016 | 45.200 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 249 | ILE | 0 | -0.071 | -0.028 | 42.112 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 250 | GLY | 0 | -0.018 | -0.016 | 44.941 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 251 | MET | 0 | -0.070 | -0.019 | 48.063 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 252 | THR | 0 | -0.004 | -0.010 | 44.231 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 253 | GLY | 0 | 0.074 | 0.047 | 44.252 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 254 | ARG | 1 | 0.800 | 0.922 | 39.855 | -7.388 | -7.388 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 255 | ALA | 0 | -0.006 | -0.012 | 36.544 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 256 | PRO | 0 | 0.026 | -0.002 | 37.783 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 257 | TYR | 0 | -0.011 | 0.011 | 30.522 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 258 | GLU | -1 | -0.766 | -0.852 | 35.357 | 8.599 | 8.599 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 259 | VAL | 0 | -0.038 | -0.024 | 36.922 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 260 | PHE | 0 | -0.018 | -0.016 | 38.743 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 261 | THR | 0 | -0.065 | -0.071 | 34.735 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 262 | GLN | 0 | -0.014 | -0.015 | 31.360 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 263 | ALA | 0 | 0.027 | 0.039 | 36.563 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 264 | GLU | -1 | -0.941 | -0.938 | 37.590 | 8.059 | 8.059 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 265 | PHE | 0 | -0.038 | -0.018 | 41.447 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 266 | SER | 0 | 0.005 | 0.002 | 44.419 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 267 | PRO | 0 | 0.002 | -0.008 | 46.919 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 268 | ALA | 0 | 0.038 | 0.033 | 48.852 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 269 | PRO | 0 | 0.008 | -0.007 | 49.972 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 270 | TYR | 0 | 0.037 | 0.020 | 52.800 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 271 | GLY | 0 | 0.001 | 0.010 | 54.986 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 272 | LYS | 1 | 0.871 | 0.915 | 56.500 | -5.234 | -5.234 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 273 | GLY | 0 | 0.037 | 0.026 | 56.652 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 274 | VAL | 0 | 0.029 | 0.023 | 54.674 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 275 | SER | 0 | 0.018 | 0.022 | 52.912 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 276 | LYS | 1 | 0.951 | 0.995 | 54.603 | -5.180 | -5.180 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 277 | TRP | 0 | -0.013 | -0.024 | 54.128 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 278 | SER | 0 | 0.021 | 0.013 | 49.653 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 279 | ILE | 0 | -0.018 | 0.006 | 46.238 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 280 | LEU | 0 | 0.005 | 0.015 | 44.158 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 281 | PHE | 0 | -0.007 | -0.022 | 37.417 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 282 | ASN | 0 | 0.005 | 0.015 | 36.253 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 283 | GLY | 0 | 0.134 | 0.061 | 34.919 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 284 | GLN | 0 | -0.098 | -0.063 | 33.373 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 285 | ALA | 0 | 0.052 | 0.036 | 31.114 | 0.310 | 0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 286 | LYS | 1 | 0.872 | 0.911 | 28.072 | -10.219 | -10.219 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 287 | THR | 0 | 0.049 | 0.025 | 28.281 | 0.322 | 0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 288 | LYS | 1 | 0.897 | 0.938 | 22.593 | -12.471 | -12.471 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 289 | GLN | 0 | 0.012 | 0.018 | 23.480 | 0.440 | 0.440 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 290 | GLY | 0 | 0.031 | 0.020 | 24.895 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 291 | GLU | -1 | -0.880 | -0.952 | 26.109 | 10.476 | 10.476 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 292 | GLY | 0 | -0.008 | 0.007 | 28.148 | -0.359 | -0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 293 | THR | 0 | -0.040 | -0.012 | 28.435 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 294 | LYS | 1 | 0.960 | 0.978 | 31.383 | -8.391 | -8.391 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 295 | PHE | 0 | -0.007 | -0.009 | 27.463 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 296 | GLY | 0 | 0.048 | 0.033 | 31.207 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 297 | ILE | 0 | -0.040 | -0.006 | 33.310 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 298 | THR | 0 | 0.026 | 0.010 | 36.154 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 299 | TYR | 0 | -0.074 | -0.032 | 37.804 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 300 | GLU | -1 | -0.896 | -0.961 | 41.682 | 6.404 | 6.404 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 301 | ILE | 0 | -0.037 | -0.010 | 42.549 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 302 | PRO | 0 | 0.033 | 0.026 | 45.654 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 303 | VAL | 0 | -0.018 | 0.023 | 47.925 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 304 | LEU | 0 | 0.001 | -0.005 | 50.134 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 305 | THR | 0 | -0.020 | -0.020 | 52.834 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 306 | ARG | 1 | 0.921 | 0.973 | 54.047 | -5.249 | -5.249 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 307 | SER | 0 | 0.036 | -0.011 | 52.554 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 308 | GLU | -1 | -0.883 | -0.952 | 52.872 | 5.644 | 5.644 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 309 | THR | 0 | -0.036 | -0.017 | 54.726 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 310 | VAL | 0 | 0.039 | 0.019 | 48.791 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 311 | LEU | 0 | -0.001 | -0.005 | 49.346 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 312 | ALA | 0 | -0.010 | 0.005 | 50.596 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 313 | ALA | 0 | 0.003 | -0.001 | 50.897 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 314 | TYR | 0 | -0.022 | -0.059 | 41.923 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 315 | LYS | 1 | 0.923 | 0.964 | 47.278 | -6.460 | -6.460 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 316 | ARG | 1 | 0.856 | 0.917 | 49.284 | -5.932 | -5.932 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 317 | LEU | 0 | -0.016 | 0.006 | 43.670 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 318 | ARG | 1 | 0.845 | 0.923 | 40.198 | -7.591 | -7.591 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 319 | GLU | -1 | -0.935 | -0.962 | 44.823 | 6.463 | 6.463 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 320 | SER | 0 | -0.018 | -0.004 | 46.616 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 321 | GLY | 0 | 0.029 | -0.001 | 45.535 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 322 | GLN | 0 | 0.067 | 0.019 | 40.678 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 323 | GLY | 0 | 0.031 | 0.021 | 41.910 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 324 | LYS | 1 | 0.889 | 0.932 | 40.885 | -7.386 | -7.386 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 325 | LEU | 0 | -0.047 | -0.002 | 38.017 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 326 | TRP | 0 | -0.011 | -0.013 | 37.608 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 327 | HIS | 0 | -0.039 | -0.017 | 36.631 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 328 | GLY | 0 | -0.013 | 0.000 | 33.546 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 329 | MET | 0 | -0.020 | 0.017 | 31.909 | 0.312 | 0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 330 | SER | 0 | 0.027 | 0.001 | 27.698 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 331 | ILE | 0 | 0.012 | -0.012 | 27.376 | -0.346 | -0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 332 | ASP | -1 | -0.929 | -0.970 | 26.218 | 11.749 | 11.749 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 333 | ASP | -1 | -0.806 | -0.876 | 29.505 | 10.172 | 10.172 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 334 | PHE | 0 | 0.038 | 0.001 | 31.884 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 335 | SER | 0 | -0.139 | -0.090 | 31.898 | -0.320 | -0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 336 | SER | 0 | -0.032 | -0.034 | 32.075 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 337 | GLU | -1 | -0.859 | -0.911 | 34.753 | 8.047 | 8.047 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 338 | THR | 0 | -0.005 | -0.001 | 37.387 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 339 | ARG | 1 | 0.882 | 0.958 | 33.758 | -9.240 | -9.240 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 340 | LEU | 0 | 0.008 | -0.019 | 37.929 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 341 | LEU | 0 | 0.106 | 0.075 | 41.049 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 342 | LEU | 0 | 0.007 | 0.008 | 40.601 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 343 | ARG | 1 | 0.908 | 0.951 | 41.038 | -7.722 | -7.722 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 344 | ASP | -1 | -0.858 | -0.949 | 43.525 | 6.957 | 6.957 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 345 | THR | 0 | -0.028 | -0.018 | 46.529 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 346 | VAL | 0 | -0.078 | -0.048 | 45.311 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 347 | PHE | 0 | -0.077 | -0.035 | 44.646 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 348 | ASN | 0 | 0.046 | 0.022 | 48.987 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 349 | LEU | 0 | -0.032 | -0.004 | 50.135 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 350 | PHE | 0 | -0.079 | -0.045 | 48.810 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 351 | GLU | -1 | -0.912 | -0.957 | 52.971 | 6.067 | 6.067 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 352 | ASP | -1 | -0.882 | -0.935 | 54.406 | 5.596 | 5.596 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 353 | VAL | 0 | -0.096 | -0.054 | 54.784 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 354 | TRP | 0 | -0.069 | -0.051 | 47.170 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 355 | PRO | 0 | -0.001 | 0.002 | 51.554 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 356 | LYS | 1 | 1.034 | 1.014 | 52.264 | -5.488 | -5.488 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 357 | GLU | -1 | -0.936 | -0.971 | 50.554 | 6.088 | 6.088 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 358 | GLU | -1 | -0.901 | -0.913 | 46.491 | 7.129 | 7.129 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 359 | LEU | 0 | 0.021 | 0.007 | 46.667 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 360 | PRO | 0 | 0.057 | 0.040 | 46.608 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 361 | LYS | 1 | 0.927 | 0.956 | 41.172 | -7.480 | -7.480 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 362 | PRO | 0 | 0.041 | 0.010 | 41.143 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 363 | TYR | 0 | -0.017 | 0.001 | 36.090 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 364 | GLY | 0 | 0.046 | 0.037 | 41.289 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 365 | LEU | 0 | 0.052 | 0.015 | 44.444 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 366 | ARG | 1 | 0.858 | 0.935 | 37.456 | -8.193 | -8.193 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 367 | HIS | 0 | -0.003 | -0.007 | 39.932 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 368 | LEU | 0 | 0.011 | 0.018 | 44.468 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 369 | TYR | 0 | -0.035 | -0.036 | 44.146 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 370 | ALA | 0 | -0.013 | -0.005 | 44.145 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 371 | GLU | -1 | -0.892 | -0.960 | 46.223 | 6.398 | 6.398 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 372 | VAL | 0 | 0.014 | 0.001 | 49.148 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 373 | ALA | 0 | 0.005 | -0.003 | 48.562 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 374 | TYR | 0 | 0.002 | -0.019 | 48.652 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 375 | HIS | 1 | 0.873 | 0.947 | 50.522 | -5.742 | -5.742 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 376 | ASN | 0 | -0.057 | -0.022 | 53.572 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 377 | PHE | 0 | -0.027 | -0.021 | 51.740 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 378 | ALA | 0 | -0.031 | 0.010 | 51.007 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 379 | PRO | 0 | -0.009 | -0.006 | 50.618 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 380 | PRO | 0 | 0.038 | 0.025 | 53.007 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 381 | HIS | 0 | -0.007 | 0.001 | 50.713 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 382 | VAL | 0 | -0.017 | -0.003 | 47.885 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 383 | THR | 0 | 0.046 | 0.016 | 45.666 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 384 | LYS | 1 | 0.949 | 0.973 | 46.771 | -6.483 | -6.483 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 385 | ASN | 0 | -0.004 | -0.005 | 41.882 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 386 | SER | 0 | 0.009 | 0.016 | 42.158 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 387 | TYR | 0 | 0.064 | 0.032 | 43.146 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 388 | PHE | 0 | 0.002 | -0.015 | 41.929 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 389 | ALA | 0 | 0.041 | 0.019 | 38.739 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 390 | ALA | 0 | -0.065 | -0.023 | 39.364 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 391 | ILE | 0 | -0.014 | -0.007 | 41.508 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 392 | LEU | 0 | -0.043 | -0.019 | 38.798 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 393 | GLY | 0 | 0.022 | 0.031 | 37.397 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 394 | HIS | 0 | -0.013 | -0.015 | 34.390 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 395 | ASN | 0 | -0.001 | -0.011 | 29.975 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 396 | ASN | 0 | 0.055 | 0.019 | 32.679 | -0.449 | -0.449 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 397 | ASN | 0 | -0.065 | -0.027 | 33.764 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 398 | ASP | -1 | -0.805 | -0.837 | 33.383 | 9.259 | 9.259 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 399 | LEU | 0 | 0.011 | -0.008 | 35.433 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 400 | GLU | -1 | -0.915 | -0.957 | 34.025 | 8.951 | 8.951 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 401 | THR | 0 | -0.070 | -0.091 | 33.674 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 402 | SER | 0 | -0.045 | -0.035 | 35.772 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 403 | LEU | 0 | 0.042 | 0.033 | 38.240 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 404 | SER | 0 | -0.047 | -0.026 | 36.671 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 405 | TYR | 0 | -0.093 | -0.073 | 36.842 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 406 | MET | 0 | -0.029 | 0.000 | 41.588 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 407 | THR | 0 | 0.023 | -0.002 | 44.102 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 408 | TYR | 0 | -0.106 | -0.063 | 46.022 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 409 | THR | 0 | 0.025 | 0.022 | 49.292 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 410 | LEU | 0 | 0.010 | -0.005 | 52.627 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 411 | PRO | 0 | 0.027 | 0.018 | 55.248 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 412 | GLU | -1 | -0.827 | -0.911 | 58.437 | 5.373 | 5.373 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 413 | ASP | -1 | -0.894 | -0.948 | 55.317 | 5.661 | 5.661 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 414 | ARG | 1 | 0.859 | 0.937 | 57.680 | -5.370 | -5.370 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 415 | ASP | -1 | -0.876 | -0.941 | 59.093 | 5.057 | 5.057 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 416 | ASN | 0 | -0.050 | -0.032 | 60.518 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 417 | ALA | 0 | -0.021 | -0.021 | 59.140 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 418 | LEU | 0 | -0.033 | -0.020 | 61.239 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 419 | ALA | 0 | -0.019 | -0.001 | 63.934 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 420 | ARG | 1 | 0.830 | 0.929 | 58.808 | -5.351 | -5.351 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 421 | LEU | -1 | -0.919 | -0.944 | 65.879 | 4.671 | 4.671 | 0.000 | 0.000 | 0.000 | 0.000 |