![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 8575Y
Calculation Name: 1VRD-B-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1VRD
Chain ID: B
UniProt ID: Q9X168
Base Structure: X-ray
Registration Date: 2023-06-22
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptHSide |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 317 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4464752.799167 |
---|---|
FMO2-HF: Nuclear repulsion | 4346564.60104 |
FMO2-HF: Total energy | -118188.198127 |
FMO2-MP2: Total energy | -118532.291982 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F026866/ligand_interaction/ligand_F026866.png)
Ligand Interaction
![ligand interaction](./Kdata/F026866/ligand_interaction/ligand_interaction_F026866.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(B:1:MET)
Summations of interaction energy for
fragment #1(B:1:MET)
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. |
-2.42 | -0.701 | -0.007 | -0.763 | -0.948 | 0.003 |
Interaction energy analysis for fragmet #1(B:1:MET)
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 | B | 3 | GLU | -1 | -0.786 | -0.868 | 3.632 | -4.127 | -2.408 | -0.007 | -0.763 | -0.948 | 0.003 |
4 | B | 4 | ALA | 0 | -0.042 | -0.026 | 5.870 | 0.620 | 0.620 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | 5 | LEU | 0 | 0.021 | 0.009 | 8.646 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 6 | THR | 0 | -0.069 | -0.075 | 12.090 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 7 | PHE | 0 | 0.042 | -0.010 | 14.725 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 8 | ASP | -1 | -0.858 | -0.914 | 17.602 | -0.340 | -0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 9 | ASP | -1 | -0.828 | -0.865 | 13.174 | -0.819 | -0.819 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 10 | VAL | 0 | -0.011 | 0.005 | 16.174 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 11 | LEU | 0 | -0.039 | -0.021 | 18.773 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 12 | LEU | 0 | -0.031 | -0.004 | 22.246 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 13 | VAL | 0 | -0.011 | -0.002 | 24.227 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 14 | PRO | 0 | -0.023 | -0.008 | 26.734 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 15 | GLN | 0 | -0.064 | -0.050 | 27.816 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 16 | TYR | 0 | -0.058 | -0.036 | 32.294 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 17 | SER | 0 | 0.020 | -0.001 | 35.682 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 18 | GLU | -1 | -0.885 | -0.924 | 37.639 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 19 | VAL | 0 | -0.078 | -0.036 | 37.644 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 20 | LEU | 0 | 0.039 | 0.018 | 39.316 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 21 | PRO | 0 | 0.074 | 0.026 | 37.759 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 22 | LYS | 1 | 0.820 | 0.886 | 39.234 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 23 | ASP | -1 | -0.835 | -0.901 | 41.747 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 24 | VAL | 0 | -0.040 | 0.011 | 35.949 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 25 | LYS | 1 | 0.828 | 0.900 | 38.008 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 26 | ILE | 0 | 0.026 | -0.010 | 34.931 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 27 | ASP | -1 | -0.821 | -0.876 | 35.306 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 28 | THR | 0 | -0.058 | -0.058 | 31.387 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 29 | ARG | 1 | 0.771 | 0.865 | 29.901 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 30 | LEU | 0 | -0.037 | -0.011 | 31.425 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 31 | THR | 0 | 0.009 | -0.017 | 31.028 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 32 | ARG | 1 | 0.913 | 0.938 | 30.373 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 33 | GLN | 0 | -0.028 | -0.030 | 33.566 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 34 | ILE | 0 | 0.003 | 0.033 | 36.014 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 35 | ARG | 1 | 0.896 | 0.929 | 35.753 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 36 | ILE | 0 | -0.047 | -0.018 | 33.066 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 37 | ASN | 0 | -0.034 | -0.041 | 37.489 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 38 | ILE | 0 | -0.010 | 0.001 | 35.506 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 39 | PRO | 0 | 0.004 | 0.000 | 30.968 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 40 | LEU | 0 | -0.053 | -0.024 | 30.621 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 41 | VAL | 0 | 0.044 | 0.020 | 29.718 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 42 | SER | 0 | -0.020 | -0.028 | 30.283 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 43 | ALA | 0 | 0.020 | -0.017 | 28.147 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 44 | ALA | 0 | 0.066 | 0.061 | 29.386 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 45 | MET | 0 | -0.047 | -0.029 | 27.713 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 46 | ASP | -1 | -0.765 | -0.889 | 30.985 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 47 | THR | 0 | -0.005 | -0.001 | 31.129 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 48 | VAL | 0 | -0.081 | -0.045 | 30.496 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 49 | THR | 0 | 0.018 | -0.003 | 33.175 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 50 | GLU | -1 | -0.784 | -0.874 | 35.776 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 51 | ALA | 0 | 0.016 | -0.005 | 39.160 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 52 | ALA | 0 | -0.022 | -0.005 | 42.149 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 53 | LEU | 0 | 0.025 | 0.013 | 35.529 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 54 | ALA | 0 | 0.010 | -0.003 | 38.379 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 55 | LYS | 1 | 0.847 | 0.916 | 39.338 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 56 | ALA | 0 | -0.013 | -0.012 | 41.023 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 57 | LEU | 0 | 0.024 | 0.019 | 34.554 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 58 | ALA | 0 | 0.036 | 0.034 | 39.198 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 59 | ARG | 1 | 0.900 | 0.959 | 40.790 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 60 | GLU | -1 | -0.797 | -0.892 | 39.878 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 61 | GLY | 0 | 0.010 | 0.005 | 40.159 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 62 | GLY | 0 | 0.011 | 0.004 | 36.259 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 63 | ILE | 0 | 0.008 | -0.002 | 34.263 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 64 | GLY | 0 | 0.034 | 0.022 | 34.493 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 65 | ILE | 0 | -0.035 | -0.010 | 31.302 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 66 | ILE | 0 | -0.013 | -0.011 | 33.914 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 67 | HIS | 0 | -0.021 | -0.018 | 33.118 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 68 | LYS | 1 | 0.864 | 0.910 | 28.459 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 69 | ASN | 0 | -0.091 | -0.037 | 31.557 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 70 | LEU | 0 | -0.013 | -0.007 | 35.439 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 71 | THR | 0 | 0.047 | 0.015 | 38.687 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 72 | PRO | 0 | 0.059 | 0.021 | 40.035 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 73 | ASP | -1 | -0.862 | -0.914 | 41.561 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 74 | GLU | -1 | -0.745 | -0.831 | 42.617 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 75 | GLN | 0 | -0.028 | -0.025 | 35.581 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 76 | ALA | 0 | 0.041 | 0.023 | 41.030 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 77 | ARG | 1 | 0.839 | 0.890 | 43.579 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 78 | GLN | 0 | -0.011 | -0.018 | 41.520 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 79 | VAL | 0 | 0.039 | 0.018 | 40.433 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 80 | SER | 0 | -0.001 | -0.015 | 42.941 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 81 | ILE | 0 | -0.050 | -0.001 | 45.770 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 82 | VAL | 0 | -0.067 | -0.012 | 41.665 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 83 | LYS | 1 | 0.677 | 0.802 | 43.318 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 199 | SER | 0 | 0.003 | -0.008 | 55.825 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 200 | VAL | 0 | 0.054 | 0.012 | 52.003 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 201 | ILE | 0 | -0.009 | -0.018 | 51.539 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 202 | GLU | -1 | -0.943 | -0.950 | 49.778 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 203 | HIS | 0 | -0.063 | -0.038 | 46.545 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 204 | PRO | 0 | 0.002 | 0.005 | 46.964 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 205 | ASN | 0 | 0.011 | -0.004 | 42.391 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 206 | ALA | 0 | -0.007 | 0.017 | 42.721 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 207 | ALA | 0 | -0.023 | 0.005 | 40.211 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 208 | ARG | 1 | 0.884 | 0.915 | 42.174 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 209 | ASP | -1 | -0.696 | -0.835 | 43.956 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 210 | GLU | -1 | -0.936 | -0.972 | 44.961 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 211 | LYS | 1 | 0.887 | 0.945 | 47.522 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 212 | GLY | 0 | 0.016 | 0.023 | 48.625 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 213 | ARG | 1 | 0.841 | 0.909 | 46.471 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 214 | LEU | 0 | -0.034 | 0.002 | 43.657 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 215 | LEU | 0 | 0.008 | 0.024 | 39.141 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 216 | VAL | 0 | -0.052 | -0.039 | 38.879 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 217 | GLY | 0 | 0.059 | 0.020 | 35.573 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 218 | ALA | 0 | -0.024 | -0.005 | 35.696 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 219 | ALA | 0 | 0.000 | 0.017 | 31.268 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 220 | VAL | 0 | 0.055 | 0.033 | 31.957 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 221 | GLY | 0 | -0.011 | -0.010 | 29.713 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 222 | THR | 0 | 0.053 | 0.011 | 27.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 223 | SER | 0 | -0.100 | -0.050 | 30.858 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 224 | PRO | 0 | 0.049 | 0.014 | 33.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 225 | GLU | -1 | -0.773 | -0.837 | 36.072 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 226 | THR | 0 | -0.074 | -0.043 | 33.587 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 227 | MET | 0 | 0.079 | 0.028 | 36.344 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 228 | GLU | -1 | -0.871 | -0.917 | 39.192 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 229 | ARG | 1 | 0.822 | 0.877 | 36.307 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 230 | VAL | 0 | 0.021 | 0.015 | 36.671 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 231 | GLU | -1 | -0.773 | -0.847 | 39.355 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 232 | LYS | 1 | 0.796 | 0.862 | 43.071 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 233 | LEU | 0 | -0.031 | -0.013 | 37.751 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 234 | VAL | 0 | 0.032 | 0.013 | 40.925 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 235 | LYS | 1 | 0.823 | 0.900 | 43.191 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 236 | ALA | 0 | -0.037 | -0.003 | 44.169 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 237 | GLY | 0 | -0.069 | -0.034 | 45.241 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 238 | VAL | 0 | -0.053 | -0.027 | 38.515 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 239 | ASP | -1 | -0.748 | -0.854 | 39.399 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 240 | VAL | 0 | -0.014 | -0.004 | 33.765 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 241 | ILE | 0 | 0.021 | 0.012 | 33.566 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 242 | VAL | 0 | -0.004 | -0.012 | 28.668 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 243 | ILE | 0 | 0.016 | 0.008 | 27.524 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 244 | ASP | -1 | -0.853 | -0.924 | 26.811 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 245 | THR | 0 | -0.027 | -0.018 | 23.836 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 246 | ALA | 0 | 0.014 | 0.005 | 19.930 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 247 | HIS | 0 | -0.010 | -0.015 | 17.060 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 248 | GLY | 0 | 0.064 | 0.029 | 20.001 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 249 | HIS | 0 | 0.012 | 0.014 | 16.694 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 250 | SER | 0 | -0.030 | -0.023 | 19.748 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 251 | ARG | 1 | 0.912 | 0.942 | 22.377 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 252 | ARG | 1 | 0.978 | 0.992 | 25.667 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 253 | VAL | 0 | 0.022 | 0.036 | 24.337 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 254 | ILE | 0 | 0.016 | 0.019 | 23.427 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 255 | GLU | -1 | -0.796 | -0.900 | 27.495 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 256 | THR | 0 | -0.059 | -0.039 | 30.042 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 257 | LEU | 0 | -0.029 | -0.029 | 28.247 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 258 | GLU | -1 | -0.919 | -0.960 | 30.585 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 259 | MET | 0 | -0.032 | -0.014 | 33.258 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 260 | ILE | 0 | -0.018 | -0.016 | 33.302 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 261 | LYS | 1 | 0.821 | 0.903 | 34.301 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 262 | ALA | 0 | -0.022 | -0.005 | 36.513 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 263 | ASP | -1 | -0.906 | -0.953 | 38.887 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 264 | TYR | 0 | -0.089 | -0.081 | 39.654 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 265 | PRO | 0 | 0.027 | 0.018 | 38.985 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 266 | ASP | -1 | -0.938 | -0.978 | 39.020 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 267 | LEU | 0 | -0.050 | -0.013 | 37.255 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 268 | PRO | 0 | -0.047 | -0.016 | 35.831 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 269 | VAL | 0 | 0.022 | 0.004 | 31.112 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 270 | VAL | 0 | -0.025 | -0.009 | 27.599 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 271 | ALA | 0 | 0.032 | 0.027 | 26.633 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 272 | GLY | 0 | 0.024 | 0.021 | 22.975 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 273 | ASN | 0 | -0.045 | -0.010 | 19.943 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 274 | VAL | 0 | 0.011 | -0.008 | 17.890 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 275 | ALA | 0 | 0.001 | -0.008 | 13.826 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 276 | THR | 0 | 0.007 | -0.017 | 12.485 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 277 | PRO | 0 | 0.098 | 0.056 | 12.930 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 278 | GLU | -1 | -0.816 | -0.896 | 13.260 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 279 | GLY | 0 | -0.005 | -0.005 | 16.720 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 280 | THR | 0 | -0.019 | -0.031 | 18.191 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 281 | GLU | -1 | -0.789 | -0.872 | 19.802 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 282 | ALA | 0 | -0.051 | -0.019 | 20.965 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 283 | LEU | 0 | 0.008 | -0.007 | 22.674 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 284 | ILE | 0 | -0.012 | -0.005 | 23.671 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 285 | LYS | 1 | 0.798 | 0.890 | 23.291 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 286 | ALA | 0 | 0.020 | 0.025 | 27.246 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 287 | GLY | 0 | 0.024 | 0.014 | 29.052 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 288 | ALA | 0 | -0.047 | -0.010 | 27.328 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 289 | ASP | -1 | -0.765 | -0.853 | 29.413 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 290 | ALA | 0 | 0.031 | -0.001 | 28.321 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 291 | VAL | 0 | -0.008 | 0.009 | 22.034 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 292 | LYS | 1 | 0.779 | 0.882 | 23.513 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 293 | VAL | 0 | 0.009 | -0.012 | 17.760 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 294 | GLY | 0 | 0.038 | 0.018 | 17.609 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 295 | VAL | 0 | 0.007 | 0.011 | 14.535 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 296 | GLY | 0 | 0.056 | 0.023 | 13.942 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 297 | PRO | 0 | -0.028 | 0.032 | 14.128 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 298 | GLY | 0 | 0.036 | -0.004 | 16.371 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 299 | SER | 0 | -0.008 | -0.020 | 14.605 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 300 | ILE | 0 | 0.035 | 0.015 | 14.711 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 301 | CYS | 0 | -0.059 | 0.000 | 16.056 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 302 | THR | 0 | 0.074 | 0.011 | 17.005 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 303 | THR | 0 | 0.025 | 0.018 | 14.815 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 304 | ARG | 1 | 0.924 | 0.951 | 12.062 | 0.663 | 0.663 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 305 | VAL | 0 | -0.030 | -0.004 | 12.840 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 306 | VAL | 0 | -0.048 | -0.024 | 15.199 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 307 | ALA | 0 | -0.022 | -0.012 | 15.026 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 308 | GLY | 0 | 0.030 | 0.031 | 11.086 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 309 | VAL | 0 | -0.047 | -0.021 | 9.458 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 310 | GLY | 0 | -0.003 | -0.030 | 10.019 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 311 | VAL | 0 | -0.033 | -0.004 | 9.291 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 312 | PRO | 0 | -0.057 | -0.023 | 9.228 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 313 | GLN | 0 | 0.056 | 0.004 | 12.129 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 314 | LEU | 0 | -0.002 | 0.028 | 15.160 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 315 | THR | 0 | 0.039 | 0.011 | 10.084 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 316 | ALA | 0 | 0.022 | 0.027 | 13.441 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 317 | VAL | 0 | -0.024 | -0.020 | 14.901 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 318 | MET | 0 | 0.000 | 0.023 | 14.598 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 319 | GLU | -1 | -0.798 | -0.881 | 10.534 | -0.368 | -0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 320 | CYS | 0 | -0.052 | -0.011 | 15.357 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 321 | SER | 0 | -0.009 | -0.025 | 17.951 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 322 | GLU | -1 | -0.905 | -0.949 | 16.919 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 323 | VAL | 0 | 0.026 | 0.009 | 17.952 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 324 | ALA | 0 | 0.026 | 0.004 | 20.577 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 325 | ARG | 1 | 0.939 | 0.973 | 20.597 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 326 | LYS | 1 | 0.795 | 0.913 | 19.254 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 327 | TYR | 0 | -0.093 | -0.071 | 23.311 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 328 | ASP | -1 | -0.866 | -0.896 | 27.792 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 329 | VAL | 0 | -0.044 | -0.012 | 26.587 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 330 | PRO | 0 | -0.011 | 0.020 | 26.494 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 331 | ILE | 0 | 0.008 | 0.006 | 21.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 332 | ILE | 0 | -0.005 | 0.000 | 24.807 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 333 | ALA | 0 | 0.015 | -0.003 | 21.776 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 334 | ASP | -1 | -0.804 | -0.900 | 21.691 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 335 | GLY | 0 | 0.052 | 0.014 | 20.721 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 336 | GLY | 0 | -0.026 | -0.037 | 19.774 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 337 | ILE | 0 | -0.011 | 0.003 | 20.698 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 338 | ARG | 1 | 0.809 | 0.897 | 21.215 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 339 | TYR | 0 | 0.002 | -0.009 | 24.184 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 340 | SER | 0 | 0.087 | 0.047 | 26.938 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 341 | GLY | 0 | -0.020 | -0.012 | 26.904 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 342 | ASP | -1 | -0.756 | -0.890 | 22.872 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 343 | ILE | 0 | 0.029 | 0.018 | 24.037 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 344 | VAL | 0 | 0.008 | 0.014 | 26.317 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 345 | LYS | 1 | 0.852 | 0.931 | 20.939 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 346 | ALA | 0 | 0.010 | 0.002 | 21.828 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 347 | LEU | 0 | -0.017 | -0.007 | 22.897 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 348 | ALA | 0 | 0.012 | 0.004 | 24.057 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 349 | ALA | 0 | -0.032 | -0.017 | 19.398 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 350 | GLY | 0 | -0.007 | -0.011 | 20.564 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 351 | ALA | 0 | -0.042 | -0.014 | 23.074 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 352 | GLU | -1 | -0.781 | -0.871 | 24.567 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 353 | SER | 0 | 0.022 | 0.016 | 27.368 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 354 | VAL | 0 | -0.006 | 0.000 | 25.282 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 355 | MET | 0 | -0.008 | 0.026 | 25.725 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 356 | VAL | 0 | -0.021 | -0.021 | 25.885 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 357 | GLY | 0 | 0.077 | 0.023 | 27.362 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 358 | SER | 0 | -0.006 | -0.014 | 26.258 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 359 | ILE | 0 | -0.003 | -0.006 | 27.790 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 360 | PHE | 0 | 0.057 | 0.018 | 30.695 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 361 | ALA | 0 | 0.031 | 0.034 | 31.698 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 362 | GLY | 0 | -0.039 | -0.028 | 33.626 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 363 | THR | 0 | -0.022 | -0.004 | 35.973 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 364 | GLU | -1 | -0.746 | -0.838 | 38.514 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 365 | GLU | -1 | -0.813 | -0.911 | 40.497 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 366 | ALA | 0 | -0.024 | 0.010 | 36.563 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 367 | PRO | 0 | -0.031 | -0.025 | 36.780 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 368 | GLY | 0 | 0.005 | 0.017 | 38.700 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 369 | GLU | -1 | -0.887 | -0.925 | 40.235 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 370 | THR | 0 | -0.069 | -0.073 | 41.854 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 371 | ILE | 0 | 0.009 | 0.011 | 40.972 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 372 | LEU | 0 | -0.020 | -0.019 | 43.781 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 373 | TYR | 0 | 0.023 | 0.009 | 41.366 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 374 | GLN | 0 | 0.013 | -0.008 | 42.995 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 375 | GLY | 0 | 0.006 | 0.008 | 44.856 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 376 | ARG | 1 | 0.940 | 0.982 | 39.925 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 377 | LYS | 1 | 0.866 | 0.956 | 42.678 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 378 | TYR | 0 | -0.010 | -0.023 | 36.989 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 379 | LYS | 1 | 0.806 | 0.904 | 37.269 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 380 | ALA | 0 | -0.005 | -0.007 | 37.343 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 381 | TYR | 0 | 0.006 | 0.000 | 31.609 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 382 | ARG | 1 | 0.909 | 0.918 | 36.194 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 383 | GLY | 0 | 0.011 | 0.016 | 32.860 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 384 | MET | 0 | -0.049 | -0.017 | 29.891 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 410 | GLY | 0 | 0.011 | 0.000 | 33.779 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 411 | ILE | 0 | -0.071 | -0.028 | 29.775 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 412 | GLU | -1 | -0.798 | -0.891 | 33.215 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 413 | GLY | 0 | -0.026 | -0.009 | 34.183 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 414 | MET | 0 | -0.023 | 0.001 | 34.422 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 415 | VAL | 0 | -0.008 | 0.007 | 31.843 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 416 | PRO | 0 | -0.002 | -0.011 | 33.454 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 417 | TYR | 0 | -0.016 | -0.026 | 36.251 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 418 | LYS | 1 | 0.835 | 0.915 | 32.358 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 419 | GLY | 0 | 0.029 | 0.023 | 38.141 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 420 | THR | 0 | -0.050 | -0.047 | 40.695 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 421 | VAL | 0 | 0.010 | -0.021 | 37.857 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 422 | LYS | 1 | 0.830 | 0.910 | 38.826 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 423 | ASP | -1 | -0.808 | -0.874 | 40.697 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 424 | VAL | 0 | -0.018 | -0.005 | 34.455 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 425 | VAL | 0 | 0.001 | -0.003 | 35.923 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 426 | HIS | 0 | 0.015 | 0.023 | 36.739 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 427 | GLN | 0 | 0.041 | 0.024 | 32.767 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 428 | LEU | 0 | -0.032 | -0.026 | 30.661 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 429 | VAL | 0 | -0.005 | -0.005 | 33.224 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 430 | GLY | 0 | 0.016 | 0.009 | 35.696 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 431 | GLY | 0 | -0.059 | -0.035 | 32.680 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 432 | LEU | 0 | -0.001 | -0.007 | 30.171 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 433 | ARG | 1 | 0.875 | 0.922 | 32.524 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 434 | SER | 0 | -0.020 | -0.013 | 34.229 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 435 | GLY | 0 | 0.021 | 0.015 | 30.734 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 436 | MET | 0 | -0.021 | -0.013 | 31.488 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 437 | GLY | 0 | 0.018 | 0.015 | 32.826 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 438 | TYR | 0 | -0.043 | -0.020 | 31.827 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 439 | ILE | 0 | -0.023 | -0.003 | 27.866 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 440 | GLY | 0 | 0.035 | 0.027 | 31.781 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 441 | ALA | 0 | -0.082 | -0.025 | 31.938 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 442 | ARG | 1 | 0.976 | 0.976 | 34.088 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 443 | THR | 0 | -0.004 | -0.018 | 35.074 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 444 | ILE | 0 | 0.048 | 0.015 | 29.703 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 445 | LYS | 1 | 0.829 | 0.908 | 29.316 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 446 | GLU | -1 | -0.733 | -0.847 | 30.184 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 447 | LEU | 0 | -0.034 | -0.024 | 27.722 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 448 | GLN | 0 | -0.044 | -0.025 | 25.758 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 449 | GLU | -1 | -0.971 | -0.969 | 25.718 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 450 | LYS | 1 | 0.908 | 0.957 | 27.839 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 451 | ALA | 0 | -0.025 | 0.014 | 24.046 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 452 | VAL | 0 | 0.034 | 0.022 | 23.284 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 453 | PHE | 0 | -0.001 | -0.016 | 19.280 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 454 | VAL | 0 | -0.010 | -0.005 | 19.734 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 455 | LYS | 1 | 0.856 | 0.906 | 11.025 | 1.114 | 1.114 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 456 | ILE | 0 | -0.039 | -0.018 | 17.250 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 457 | THR | 0 | -0.006 | -0.004 | 16.246 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |