![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 492JN
Calculation Name: 4EVF-A-Xray372
Preferred Name:
Warning: Undefined array key "pref_name" in /home/FMODBwui_src/fmodbwui/detail.php on line 446
Target Type:
Warning: Undefined array key "target_type" in /home/FMODBwui_src/fmodbwui/detail.php on line 447
Ligand Name:
Warning: Undefined variable $Ligand in /home/FMODBwui_src/fmodbwui/detail.php on line 448
Warning: Trying to access array offset on value of type null in /home/FMODBwui_src/fmodbwui/detail.php on line 448
Warning: Trying to access array offset on value of type null in /home/FMODBwui_src/fmodbwui/detail.php on line 448
ligand 3-letter code:
Warning: Undefined variable $Ligand in /home/FMODBwui_src/fmodbwui/detail.php on line 449
Warning: Trying to access array offset on value of type null in /home/FMODBwui_src/fmodbwui/detail.php on line 449
Warning: Trying to access array offset on value of type null in /home/FMODBwui_src/fmodbwui/detail.php on line 449
PDB ID: 4EVF
Chain ID: A
ChEMBL ID:
Warning: Undefined array key "chembl_id" in /home/FMODBwui_src/fmodbwui/detail.php on line 452
Warning: Undefined array key "chembl_id" in /home/FMODBwui_src/fmodbwui/detail.php on line 452
UniProt ID: P17063
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.
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 294 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
FMO2-HF: Electronic energy | -4410831.879267 |
---|---|
FMO2-HF: Nuclear repulsion | 4289814.125621 |
FMO2-HF: Total energy | -121017.753646 |
FMO2-MP2: Total energy | -121362.268475 |
![ligand structure](./Kdata/F030267/ligand_interaction/ligand_F030267.png)
![ligand interaction](./Kdata/F030267/ligand_interaction/ligand_interaction_F030267.png)
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:2:PRO)
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. |
-5.933 | -1.621 | 0.939 | -1.718 | -3.532 | -0.002 |
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 | 4 | VAL | 0 | 0.067 | 0.017 | 3.574 | -2.034 | -0.426 | 0.004 | -0.731 | -0.880 | 0.003 |
4 | A | 5 | THR | 0 | 0.023 | 0.006 | 5.675 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 6 | ASP | -1 | -0.908 | -0.952 | 3.492 | 0.260 | 0.619 | 0.016 | -0.065 | -0.309 | 0.000 |
6 | A | 7 | ILE | 0 | 0.015 | 0.019 | 2.480 | -0.681 | 0.252 | 0.740 | -0.432 | -1.241 | 0.000 |
7 | A | 8 | ALA | 0 | -0.012 | -0.007 | 4.738 | 0.338 | 0.399 | -0.001 | -0.010 | -0.051 | 0.000 |
8 | A | 9 | ASN | 0 | 0.010 | 0.004 | 7.736 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 10 | GLU | -1 | -0.984 | -0.994 | 4.482 | -2.470 | -2.273 | -0.001 | -0.013 | -0.183 | 0.000 |
10 | A | 11 | LEU | 0 | 0.005 | -0.012 | 8.574 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 12 | LYS | 1 | 0.920 | 0.982 | 10.685 | 0.448 | 0.448 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 13 | GLN | 0 | 0.036 | 0.009 | 10.576 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 14 | ALA | 0 | 0.007 | 0.017 | 12.676 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 15 | ILE | 0 | -0.018 | -0.014 | 14.428 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 16 | ASP | -1 | -0.949 | -0.974 | 16.525 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 17 | ALA | 0 | -0.079 | -0.037 | 17.224 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 18 | LYS | 1 | 0.853 | 0.933 | 18.815 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 19 | ASP | -1 | -0.866 | -0.929 | 16.403 | -0.403 | -0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 20 | GLU | -1 | -0.773 | -0.881 | 16.881 | -0.345 | -0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 21 | VAL | 0 | -0.003 | -0.005 | 16.318 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 22 | GLN | 0 | 0.052 | 0.042 | 9.951 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 23 | ILE | 0 | -0.003 | -0.008 | 12.300 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 24 | ALA | 0 | 0.000 | -0.003 | 12.936 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 25 | PHE | 0 | -0.008 | -0.029 | 8.547 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 26 | ILE | 0 | 0.030 | 0.040 | 7.369 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 27 | ALA | 0 | -0.017 | -0.014 | 8.782 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 28 | SER | 0 | -0.081 | -0.056 | 11.083 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 29 | GLU | -1 | -0.931 | -0.959 | 6.428 | -1.342 | -1.342 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 30 | TYR | 0 | -0.074 | -0.034 | 2.951 | -2.140 | -0.986 | 0.181 | -0.467 | -0.868 | -0.005 |
30 | A | 31 | SER | 0 | 0.014 | 0.005 | 9.022 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 32 | ALA | 0 | 0.035 | 0.005 | 12.074 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 33 | GLU | -1 | -0.860 | -0.932 | 13.621 | -0.479 | -0.479 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 34 | SER | 0 | -0.087 | -0.055 | 8.552 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 35 | ARG | 1 | 0.893 | 0.931 | 9.762 | 0.593 | 0.593 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 36 | GLU | -1 | -0.871 | -0.925 | 11.246 | -0.396 | -0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 37 | LYS | 1 | 0.894 | 0.948 | 8.087 | 0.887 | 0.887 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 38 | ILE | 0 | -0.001 | 0.002 | 6.521 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 39 | ALA | 0 | 0.048 | 0.028 | 9.234 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 40 | LYS | 1 | 0.934 | 0.966 | 12.800 | 0.398 | 0.398 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 41 | ALA | 0 | -0.019 | -0.007 | 9.402 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 42 | TYR | 0 | -0.035 | -0.065 | 11.402 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 43 | VAL | 0 | 0.011 | 0.013 | 12.530 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 44 | ALA | 0 | -0.058 | -0.021 | 14.319 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 45 | SER | 0 | -0.065 | -0.028 | 12.252 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 46 | TYR | 0 | -0.035 | -0.024 | 11.831 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 47 | GLY | 0 | -0.015 | 0.004 | 16.947 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 48 | LYS | 1 | 0.789 | 0.888 | 18.276 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 49 | GLU | -1 | -0.837 | -0.928 | 17.660 | -0.337 | -0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 50 | LEU | 0 | -0.010 | 0.003 | 12.209 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 51 | PRO | 0 | 0.045 | 0.016 | 16.348 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 52 | ASP | -1 | -0.874 | -0.936 | 19.042 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 53 | ASP | -1 | -0.817 | -0.881 | 17.796 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 54 | ILE | 0 | -0.020 | -0.012 | 15.432 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 55 | LYS | 1 | 0.950 | 0.972 | 19.273 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 56 | LYS | 1 | 0.870 | 0.943 | 22.600 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 57 | ALA | 0 | -0.041 | -0.002 | 20.289 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 58 | LEU | 0 | -0.020 | -0.020 | 19.677 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 59 | LYS | 1 | 0.901 | 0.974 | 23.448 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 60 | GLY | 0 | 0.118 | 0.041 | 26.353 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 61 | GLY | 0 | 0.012 | 0.023 | 27.286 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 62 | SER | 0 | 0.017 | -0.017 | 26.804 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 63 | GLU | -1 | -0.816 | -0.924 | 23.110 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 64 | GLU | -1 | -0.878 | -0.946 | 21.999 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 65 | SER | 0 | -0.037 | -0.021 | 21.870 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 66 | LEU | 0 | 0.004 | 0.016 | 19.902 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 67 | LEU | 0 | -0.008 | -0.013 | 16.680 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 68 | MET | 0 | -0.028 | -0.005 | 17.398 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 69 | ASP | -1 | -0.789 | -0.864 | 18.897 | -0.320 | -0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 70 | LEU | 0 | -0.054 | -0.015 | 15.227 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 71 | PHE | 0 | -0.033 | -0.012 | 10.638 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 72 | SER | 0 | -0.024 | -0.015 | 15.677 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 73 | ASP | -1 | -0.794 | -0.895 | 18.321 | -0.310 | -0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 74 | ARG | 1 | 0.930 | 0.947 | 18.424 | 0.373 | 0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 75 | HIS | 1 | 0.832 | 0.922 | 21.560 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 76 | GLU | -1 | -0.829 | -0.929 | 24.163 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 77 | VAL | 0 | -0.035 | -0.006 | 21.712 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 78 | ARG | 1 | 0.854 | 0.916 | 24.607 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 79 | ALA | 0 | 0.002 | 0.000 | 27.198 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 80 | GLN | 0 | -0.046 | -0.033 | 28.424 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 81 | HIS | 0 | 0.015 | 0.001 | 25.540 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 82 | ILE | 0 | -0.023 | -0.009 | 30.589 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 83 | ARG | 1 | 0.921 | 0.965 | 33.122 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 84 | ASP | -1 | -0.874 | -0.927 | 32.087 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 85 | ALA | 0 | -0.076 | -0.032 | 34.669 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 86 | LEU | 0 | -0.002 | -0.008 | 36.360 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 87 | SER | 0 | -0.090 | -0.029 | 37.857 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 88 | GLY | 0 | 0.004 | 0.000 | 39.856 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 89 | ARG | 1 | 0.902 | 0.944 | 42.243 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 90 | ASN | 0 | 0.030 | 0.005 | 40.985 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 91 | ASP | -1 | -0.885 | -0.937 | 35.967 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 92 | HIS | 0 | -0.001 | -0.021 | 37.129 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 93 | MET | 0 | -0.016 | 0.001 | 34.779 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 94 | ALA | 0 | 0.011 | 0.006 | 32.684 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 95 | PHE | 0 | 0.040 | 0.016 | 32.687 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 96 | PHE | 0 | -0.008 | -0.007 | 33.819 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 97 | ASP | -1 | -0.742 | -0.880 | 28.926 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 98 | THR | 0 | -0.054 | -0.042 | 28.750 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 99 | VAL | 0 | 0.029 | 0.024 | 30.191 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 100 | ILE | 0 | -0.011 | 0.000 | 32.244 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 101 | LEU | 0 | -0.024 | -0.013 | 25.113 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 102 | CYS | 0 | -0.045 | -0.043 | 26.653 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 103 | THR | 0 | 0.008 | 0.025 | 23.942 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 104 | PRO | 0 | 0.108 | 0.048 | 27.015 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 105 | GLU | -1 | -0.880 | -0.946 | 24.523 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 106 | ASP | -1 | -0.828 | -0.926 | 22.777 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 107 | TRP | 0 | 0.020 | 0.006 | 25.624 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 108 | HIS | 0 | 0.018 | 0.014 | 28.729 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 109 | GLU | -1 | -0.916 | -0.967 | 24.462 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 110 | THR | 0 | -0.034 | -0.038 | 27.217 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 111 | VAL | 0 | -0.017 | 0.003 | 28.702 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 112 | ALA | 0 | 0.007 | 0.004 | 29.470 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 113 | ALA | 0 | -0.034 | -0.027 | 27.349 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 114 | TYR | 0 | 0.012 | -0.010 | 29.375 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 115 | THR | 0 | -0.017 | 0.003 | 32.497 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 116 | ARG | 1 | 0.832 | 0.914 | 26.394 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 117 | MET | 0 | -0.041 | 0.000 | 28.396 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 118 | PHE | 0 | 0.021 | 0.011 | 32.234 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 119 | LYS | 1 | 0.853 | 0.932 | 35.228 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 120 | LYS | 1 | 0.888 | 0.945 | 37.524 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 121 | PRO | 0 | 0.076 | 0.043 | 37.506 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 122 | LEU | 0 | 0.028 | 0.022 | 33.017 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 123 | VAL | 0 | 0.067 | 0.012 | 37.134 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 124 | GLU | -1 | -0.952 | -0.971 | 39.298 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 125 | ASP | -1 | -0.845 | -0.934 | 39.456 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 126 | PHE | 0 | 0.000 | -0.006 | 37.182 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 127 | MET | 0 | -0.022 | -0.011 | 40.574 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 128 | LYS | 1 | 0.847 | 0.949 | 43.782 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 129 | ASP | -1 | -0.865 | -0.933 | 42.851 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 130 | VAL | 0 | -0.059 | -0.004 | 41.382 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 131 | GLY | 0 | -0.048 | -0.011 | 44.672 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 132 | ARG | 1 | 0.872 | 0.898 | 46.096 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 133 | LYS | 1 | 0.911 | 0.942 | 48.903 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 134 | GLU | -1 | -0.844 | -0.903 | 47.639 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 135 | ASP | -1 | -0.731 | -0.874 | 47.032 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 136 | TRP | 0 | -0.039 | -0.056 | 41.177 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 137 | CYS | 0 | -0.051 | 0.002 | 42.413 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 138 | LEU | 0 | 0.002 | 0.003 | 43.329 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 139 | LEU | 0 | -0.021 | -0.003 | 40.009 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 140 | MET | 0 | -0.034 | -0.016 | 37.633 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 141 | GLU | -1 | -0.809 | -0.912 | 38.941 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 142 | LYS | 1 | 0.890 | 0.964 | 40.453 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 143 | TRP | 0 | -0.006 | -0.004 | 32.777 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 144 | MET | 0 | -0.051 | -0.020 | 35.455 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 145 | ALA | 0 | 0.004 | 0.014 | 35.835 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 146 | HIS | 0 | -0.082 | -0.042 | 32.176 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 147 | GLU | -1 | -0.937 | -0.954 | 35.303 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 148 | ARG | 1 | 0.756 | 0.861 | 34.643 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 149 | VAL | 0 | -0.011 | -0.011 | 37.766 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 150 | SER | 0 | -0.103 | -0.055 | 39.960 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 151 | ARG | 1 | 0.847 | 0.895 | 41.013 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 152 | PRO | 0 | -0.038 | -0.009 | 43.897 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 153 | GLY | 0 | -0.018 | -0.006 | 47.110 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 154 | SER | 0 | 0.043 | 0.037 | 45.177 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 155 | PRO | 0 | 0.027 | -0.013 | 41.706 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 156 | GLU | -1 | -0.841 | -0.934 | 44.047 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 157 | ASP | -1 | -0.920 | -0.948 | 47.280 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 158 | GLU | -1 | -0.861 | -0.929 | 44.361 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 159 | ALA | 0 | 0.011 | 0.001 | 45.384 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 160 | GLN | 0 | 0.043 | 0.027 | 46.928 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 161 | ARG | 1 | 0.935 | 0.972 | 49.700 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 162 | LEU | 0 | -0.043 | -0.014 | 44.218 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 163 | ASP | -1 | -0.922 | -0.974 | 48.556 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 164 | GLN | 0 | 0.028 | 0.020 | 50.487 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 165 | ALA | 0 | -0.054 | -0.018 | 49.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 166 | PHE | 0 | -0.031 | -0.041 | 44.973 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 167 | ASP | -1 | -0.933 | -0.954 | 51.124 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 168 | GLN | 0 | -0.062 | -0.033 | 54.589 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 169 | LYS | 1 | 0.933 | 0.964 | 53.120 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 170 | ASN | 0 | 0.004 | 0.013 | 53.040 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 171 | THR | 0 | 0.035 | -0.005 | 50.011 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 172 | ALA | 0 | 0.009 | 0.015 | 49.081 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 173 | TYR | 0 | 0.012 | 0.002 | 47.816 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 174 | LEU | 0 | 0.020 | 0.013 | 46.560 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 175 | ILE | 0 | -0.013 | -0.005 | 44.624 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 176 | ASP | -1 | -0.944 | -0.977 | 43.713 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 177 | PHE | 0 | 0.036 | 0.028 | 41.777 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 178 | PHE | 0 | -0.009 | -0.024 | 39.557 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 179 | GLY | 0 | 0.011 | -0.004 | 39.084 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 180 | THR | 0 | -0.004 | -0.002 | 39.391 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 181 | VAL | 0 | -0.013 | 0.020 | 38.289 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 182 | PRO | 0 | 0.036 | 0.028 | 35.580 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 183 | SER | 0 | 0.059 | 0.012 | 32.031 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 184 | ALA | 0 | -0.085 | -0.051 | 32.656 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 185 | GLU | -1 | -0.760 | -0.871 | 33.957 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 186 | TYR | 0 | -0.001 | -0.052 | 36.159 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 187 | ARG | 1 | 0.885 | 0.933 | 29.680 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 188 | PRO | 0 | 0.028 | 0.022 | 36.402 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 189 | ILE | 0 | 0.034 | 0.029 | 39.062 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 190 | ALA | 0 | -0.013 | -0.013 | 38.718 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 191 | GLU | -1 | -0.938 | -0.990 | 37.371 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 192 | ALA | 0 | 0.010 | 0.008 | 40.999 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 193 | PHE | 0 | -0.019 | -0.011 | 43.983 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 194 | LYS | 1 | 0.856 | 0.937 | 41.249 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 195 | ALA | 0 | -0.120 | -0.044 | 44.805 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 196 | GLN | 0 | -0.025 | -0.008 | 46.357 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 197 | ASN | 0 | 0.016 | 0.020 | 48.371 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 198 | GLY | 0 | -0.013 | -0.005 | 49.576 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 199 | LYS | 1 | 0.861 | 0.915 | 47.915 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 200 | SER | 0 | 0.047 | 0.020 | 42.712 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 201 | ILE | 0 | 0.054 | 0.022 | 41.134 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 202 | GLU | -1 | -0.884 | -0.961 | 39.337 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 203 | GLN | 0 | 0.022 | 0.015 | 42.366 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 204 | ALA | 0 | 0.009 | 0.011 | 45.819 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 205 | ILE | 0 | -0.007 | -0.007 | 41.430 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 206 | ALA | 0 | -0.015 | -0.017 | 45.273 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 207 | THR | 0 | -0.070 | -0.001 | 46.688 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 208 | ILE | 0 | -0.021 | 0.004 | 48.329 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 209 | TYR | 0 | -0.063 | -0.033 | 45.712 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 210 | THR | 0 | 0.011 | -0.006 | 47.216 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 211 | LYS | 1 | 0.965 | 0.971 | 45.244 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 212 | THR | 0 | 0.094 | 0.044 | 41.599 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 213 | ASP | -1 | -0.785 | -0.875 | 42.450 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 214 | TYR | 0 | -0.029 | -0.009 | 41.302 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 215 | TYR | 0 | -0.008 | -0.013 | 38.840 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 216 | THR | 0 | 0.017 | 0.017 | 38.461 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 217 | PHE | 0 | 0.032 | 0.004 | 38.520 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 218 | TYR | 0 | -0.019 | 0.004 | 38.260 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 219 | CYS | 0 | -0.036 | -0.025 | 34.356 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 220 | ALA | 0 | 0.046 | 0.025 | 34.347 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 221 | HIS | 0 | 0.076 | 0.084 | 35.527 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 222 | PHE | 0 | -0.018 | -0.011 | 32.165 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 223 | ALA | 0 | 0.001 | -0.002 | 30.841 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 224 | LEU | 0 | -0.061 | -0.021 | 31.060 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 225 | LEU | 0 | -0.023 | -0.004 | 32.773 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 226 | GLY | 0 | -0.051 | -0.026 | 28.698 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 227 | MET | 0 | 0.068 | 0.051 | 25.334 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 228 | HIS | 0 | 0.019 | 0.006 | 23.746 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 229 | ARG | 1 | 0.953 | 0.968 | 25.355 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 230 | LEU | 0 | 0.014 | 0.033 | 28.938 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 231 | ALA | 0 | 0.012 | -0.003 | 24.794 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 232 | ALA | 0 | -0.021 | -0.013 | 26.885 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 233 | TYR | 0 | 0.050 | 0.024 | 28.057 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 234 | LEU | 0 | 0.000 | 0.004 | 29.097 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 235 | ILE | 0 | 0.010 | -0.007 | 24.228 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 236 | ASN | 0 | -0.014 | -0.003 | 28.606 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 237 | CYS | 0 | -0.054 | -0.028 | 31.604 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 238 | ALA | 0 | 0.036 | 0.024 | 29.699 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 239 | CYS | 0 | -0.065 | -0.032 | 29.532 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 240 | ASN | 0 | -0.012 | -0.028 | 32.135 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 241 | ASP | -1 | -0.977 | -0.964 | 35.034 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 242 | LYS | 1 | 0.849 | 0.903 | 35.880 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 243 | GLY | 0 | 0.066 | 0.047 | 31.505 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 244 | ASP | -1 | -0.877 | -0.935 | 31.803 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 245 | GLU | -1 | -0.853 | -0.956 | 28.639 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 246 | LYS | 1 | 0.925 | 0.965 | 28.018 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 247 | ARG | 1 | 0.896 | 0.955 | 28.717 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 248 | MET | 0 | 0.011 | 0.022 | 24.275 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 249 | ARG | 1 | 0.847 | 0.933 | 24.030 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 250 | ARG | 1 | 0.843 | 0.921 | 23.942 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 251 | ILE | 0 | 0.025 | 0.003 | 24.415 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 252 | THR | 0 | -0.044 | -0.050 | 19.302 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 253 | GLY | 0 | 0.041 | 0.010 | 19.663 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 254 | MET | 0 | -0.091 | -0.021 | 19.898 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 255 | MET | 0 | -0.038 | -0.025 | 20.801 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 256 | VAL | 0 | 0.019 | 0.035 | 16.109 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 257 | ASP | -1 | -0.836 | -0.936 | 14.687 | -0.476 | -0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 258 | LYS | 1 | 0.896 | 0.970 | 16.287 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 259 | CYS | 0 | -0.042 | -0.004 | 19.372 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 260 | LEU | 0 | 0.066 | 0.031 | 14.711 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 261 | GLY | 0 | -0.042 | -0.017 | 19.158 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 262 | ALA | 0 | 0.026 | 0.000 | 22.031 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 263 | LYS | 1 | 0.902 | 0.952 | 17.502 | 0.345 | 0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 264 | HIS | 0 | -0.048 | -0.030 | 20.730 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 265 | ALA | 0 | -0.006 | -0.004 | 25.726 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 266 | TYR | 0 | -0.015 | -0.027 | 27.077 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 267 | LYS | 1 | 0.935 | 0.978 | 26.527 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 268 | ILE | 0 | -0.049 | -0.009 | 30.588 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 269 | TYR | 0 | -0.038 | -0.021 | 31.058 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 270 | GLY | 0 | 0.058 | 0.028 | 31.870 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 271 | ASP | -1 | -0.883 | -0.923 | 27.475 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 272 | MET | 0 | 0.017 | 0.009 | 24.276 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 273 | GLY | 0 | -0.010 | -0.012 | 24.524 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 274 | THR | 0 | -0.028 | -0.030 | 25.222 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 275 | ASP | -1 | -0.815 | -0.898 | 28.719 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 276 | ILE | 0 | -0.017 | -0.016 | 23.877 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 277 | GLU | -1 | -0.988 | -1.000 | 26.285 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 278 | ARG | 1 | 0.892 | 0.966 | 28.178 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 279 | CYS | 0 | -0.121 | -0.052 | 30.978 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 280 | PHE | 0 | 0.034 | 0.015 | 27.712 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 281 | ASP | -1 | -0.805 | -0.881 | 28.585 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 282 | LYS | 1 | 0.957 | 0.943 | 27.751 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 283 | ARG | 1 | 0.725 | 0.849 | 24.465 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 284 | MET | 0 | 0.072 | 0.037 | 23.859 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 285 | ALA | 0 | 0.014 | 0.013 | 23.463 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 286 | PRO | 0 | -0.015 | -0.006 | 20.967 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 287 | ILE | 0 | 0.018 | 0.027 | 18.853 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 288 | LEU | 0 | 0.028 | 0.008 | 18.824 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 289 | ARG | 1 | 0.884 | 0.932 | 19.960 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 290 | THR | 0 | -0.081 | -0.036 | 14.439 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 291 | LEU | 0 | -0.004 | -0.001 | 14.775 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 292 | TRP | 0 | 0.004 | -0.003 | 16.404 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 293 | ARG | 1 | 0.842 | 0.927 | 11.157 | 0.763 | 0.763 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 294 | VAL | 0 | -0.001 | -0.003 | 17.181 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 295 | LYS | 1 | 1.005 | 1.022 | 14.835 | 0.500 | 0.500 | 0.000 | 0.000 | 0.000 | 0.000 |