![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: LZGZ9
Calculation Name: 1VRD-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1VRD
Chain ID: A
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 | OptAll |
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 | 321 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4564943.917357 |
---|---|
FMO2-HF: Nuclear repulsion | 4444892.332626 |
FMO2-HF: Total energy | -120051.584731 |
FMO2-MP2: Total energy | -120400.135919 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F026862/ligand_interaction/ligand_F026862.png)
Ligand Interaction
![ligand interaction](./Kdata/F026862/ligand_interaction/ligand_interaction_F026862.png)
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:1:MET)
Summations of interaction energy for
fragment #1(A: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. |
-1.668 | 0.096 | 0.016 | -0.685 | -1.093 | 0.001 |
Interaction energy analysis for fragmet #1(A: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 | A | 3 | GLU | -1 | -0.855 | -0.913 | 3.568 | -2.426 | -0.702 | 0.017 | -0.680 | -1.060 | 0.001 |
4 | A | 4 | ALA | 0 | -0.034 | -0.027 | 4.929 | 0.440 | 0.480 | -0.001 | -0.005 | -0.033 | 0.000 |
5 | A | 5 | LEU | 0 | 0.043 | 0.026 | 7.899 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | THR | 0 | -0.037 | -0.035 | 11.320 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | PHE | 0 | 0.043 | 0.000 | 14.224 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | ASP | -1 | -0.813 | -0.883 | 16.988 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | ASP | -1 | -0.782 | -0.868 | 12.247 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | VAL | 0 | -0.032 | -0.007 | 15.244 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | LEU | 0 | -0.026 | -0.008 | 17.965 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | LEU | 0 | -0.019 | -0.015 | 21.104 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | VAL | 0 | -0.006 | 0.001 | 23.647 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | PRO | 0 | -0.035 | -0.011 | 26.035 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | GLN | 0 | -0.029 | -0.017 | 27.816 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | TYR | 0 | -0.071 | -0.055 | 31.740 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | SER | 0 | -0.007 | -0.023 | 34.942 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | GLU | -1 | -0.802 | -0.861 | 37.001 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | VAL | 0 | -0.041 | -0.019 | 37.225 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | LEU | 0 | 0.038 | 0.026 | 38.638 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | PRO | 0 | 0.057 | 0.018 | 36.861 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | LYS | 1 | 0.814 | 0.888 | 38.395 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | ASP | -1 | -0.798 | -0.881 | 40.948 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | VAL | 0 | -0.045 | 0.008 | 35.447 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | LYS | 1 | 0.851 | 0.906 | 37.525 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | ILE | 0 | 0.033 | -0.008 | 34.295 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | ASP | -1 | -0.803 | -0.860 | 34.661 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | THR | 0 | -0.071 | -0.070 | 30.878 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | ARG | 1 | 0.758 | 0.821 | 30.236 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | LEU | 0 | -0.039 | -0.004 | 31.209 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | THR | 0 | 0.021 | -0.025 | 30.895 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | ARG | 1 | 0.883 | 0.930 | 30.726 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | GLN | 0 | -0.027 | -0.016 | 33.959 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | ILE | 0 | -0.019 | 0.012 | 35.683 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | ARG | 1 | 0.884 | 0.925 | 35.110 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | ILE | 0 | -0.024 | -0.003 | 32.563 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | ASN | 0 | -0.022 | -0.030 | 36.523 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | ILE | 0 | -0.008 | -0.001 | 35.356 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | PRO | 0 | 0.023 | 0.004 | 30.287 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | LEU | 0 | -0.050 | -0.013 | 30.395 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | VAL | 0 | 0.056 | 0.026 | 29.919 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | SER | 0 | -0.007 | -0.031 | 30.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | ALA | 0 | 0.029 | -0.004 | 28.453 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | ALA | 0 | 0.058 | 0.051 | 29.684 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | MET | 0 | -0.063 | -0.041 | 28.406 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | ASP | -1 | -0.721 | -0.852 | 31.812 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | THR | 0 | -0.031 | -0.015 | 31.945 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | VAL | 0 | -0.072 | -0.033 | 31.233 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | THR | 0 | 0.022 | 0.004 | 33.528 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | GLU | -1 | -0.780 | -0.871 | 36.290 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | ALA | 0 | 0.008 | -0.015 | 39.830 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | ALA | 0 | -0.027 | -0.002 | 42.677 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | LEU | 0 | 0.035 | 0.016 | 35.799 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | ALA | 0 | 0.001 | 0.003 | 38.558 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | LYS | 1 | 0.856 | 0.923 | 39.550 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | ALA | 0 | -0.009 | 0.003 | 41.172 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | LEU | 0 | 0.007 | -0.003 | 34.331 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | ALA | 0 | 0.001 | 0.016 | 38.929 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | ARG | 1 | 0.863 | 0.928 | 40.648 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | GLU | -1 | -0.776 | -0.884 | 39.623 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | GLY | 0 | 0.010 | 0.013 | 39.682 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | GLY | 0 | 0.005 | 0.005 | 36.004 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | ILE | 0 | -0.005 | -0.018 | 34.340 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | GLY | 0 | 0.024 | 0.017 | 34.844 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | ILE | 0 | -0.015 | -0.004 | 31.767 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | ILE | 0 | -0.022 | -0.018 | 34.501 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | HIS | 0 | -0.027 | -0.023 | 33.949 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | LYS | 1 | 0.879 | 0.925 | 28.520 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | ASN | 0 | -0.087 | -0.031 | 31.936 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | LEU | 0 | -0.012 | -0.005 | 35.749 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | THR | 0 | 0.054 | 0.018 | 39.066 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | PRO | 0 | 0.055 | 0.023 | 40.488 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | ASP | -1 | -0.829 | -0.898 | 42.091 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | GLU | -1 | -0.748 | -0.819 | 43.038 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | GLN | 0 | -0.014 | -0.011 | 36.044 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | ALA | 0 | 0.047 | 0.029 | 41.640 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | ARG | 1 | 0.814 | 0.868 | 44.220 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | GLN | 0 | -0.019 | -0.033 | 41.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | VAL | 0 | 0.039 | 0.019 | 40.861 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | SER | 0 | -0.044 | -0.028 | 43.324 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | ILE | 0 | -0.040 | -0.019 | 46.218 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | VAL | 0 | -0.024 | 0.000 | 41.981 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | LYS | 1 | 0.739 | 0.833 | 43.273 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | LYS | 1 | 0.934 | 0.974 | 46.705 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | THR | 0 | -0.020 | 0.007 | 47.732 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 197 | ILE | 0 | 0.043 | 0.004 | 56.734 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 198 | MET | 0 | 0.072 | 0.030 | 55.436 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 199 | SER | 0 | -0.019 | -0.005 | 52.409 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 200 | VAL | 0 | -0.032 | -0.008 | 50.790 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 201 | ILE | 0 | 0.012 | 0.008 | 50.535 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 202 | GLU | -1 | -0.898 | -0.951 | 50.576 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 203 | HIS | 0 | -0.124 | -0.069 | 45.984 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 204 | PRO | 0 | 0.022 | 0.014 | 46.871 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 205 | ASN | 0 | -0.001 | -0.009 | 41.881 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 206 | ALA | 0 | -0.006 | 0.016 | 42.329 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 207 | ALA | 0 | -0.004 | 0.017 | 39.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 208 | ARG | 1 | 0.819 | 0.883 | 41.748 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 209 | ASP | -1 | -0.666 | -0.807 | 43.685 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 210 | GLU | -1 | -0.801 | -0.888 | 44.876 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 211 | LYS | 1 | 0.788 | 0.886 | 46.642 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 212 | GLY | 0 | 0.014 | 0.019 | 48.678 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 213 | ARG | 1 | 0.772 | 0.877 | 45.774 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 214 | LEU | 0 | -0.019 | -0.005 | 43.701 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 215 | LEU | 0 | 0.001 | 0.016 | 38.907 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 216 | VAL | 0 | -0.068 | -0.043 | 39.044 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 217 | GLY | 0 | 0.066 | 0.022 | 35.943 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 218 | ALA | 0 | -0.039 | -0.017 | 36.055 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 219 | ALA | 0 | -0.007 | 0.013 | 31.472 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 220 | VAL | 0 | 0.031 | 0.015 | 32.055 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 221 | GLY | 0 | 0.024 | 0.003 | 30.258 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 222 | THR | 0 | 0.020 | -0.001 | 27.986 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 223 | SER | 0 | -0.052 | -0.035 | 31.005 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 224 | PRO | 0 | 0.039 | 0.006 | 33.629 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 225 | GLU | -1 | -0.736 | -0.812 | 36.531 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 226 | THR | 0 | -0.063 | -0.046 | 33.813 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 227 | MET | 0 | 0.066 | 0.018 | 35.063 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 228 | GLU | -1 | -0.813 | -0.886 | 39.435 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 229 | ARG | 1 | 0.739 | 0.840 | 36.324 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 230 | VAL | 0 | 0.020 | 0.008 | 36.908 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 231 | GLU | -1 | -0.822 | -0.879 | 39.672 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 232 | LYS | 1 | 0.786 | 0.851 | 43.409 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 233 | LEU | 0 | -0.023 | -0.015 | 38.247 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 234 | VAL | 0 | 0.021 | 0.004 | 41.115 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 235 | LYS | 1 | 0.816 | 0.893 | 43.505 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 236 | ALA | 0 | -0.047 | -0.007 | 44.628 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 237 | GLY | 0 | -0.063 | -0.024 | 45.590 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 238 | VAL | 0 | -0.030 | -0.021 | 39.041 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 239 | ASP | -1 | -0.766 | -0.862 | 39.505 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 240 | VAL | 0 | -0.011 | -0.001 | 33.829 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 241 | ILE | 0 | 0.025 | 0.020 | 33.531 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 242 | VAL | 0 | -0.007 | -0.013 | 28.985 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 243 | ILE | 0 | 0.028 | 0.023 | 28.094 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 244 | ASP | -1 | -0.824 | -0.895 | 26.942 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 245 | THR | 0 | -0.024 | -0.030 | 23.989 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 246 | ALA | 0 | 0.013 | 0.000 | 20.079 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 247 | HIS | 0 | -0.030 | -0.025 | 17.362 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 248 | GLY | 0 | 0.089 | 0.042 | 20.252 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 249 | HIS | 0 | -0.016 | 0.018 | 16.124 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 250 | SER | 0 | -0.041 | -0.042 | 19.844 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 251 | ARG | 1 | 0.873 | 0.911 | 22.398 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 252 | ARG | 1 | 0.936 | 0.981 | 21.310 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 253 | VAL | 0 | -0.006 | 0.008 | 24.991 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 254 | ILE | 0 | 0.007 | 0.015 | 23.504 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 255 | GLU | -1 | -0.740 | -0.851 | 27.649 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 256 | THR | 0 | -0.062 | -0.036 | 30.303 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 257 | LEU | 0 | -0.037 | -0.031 | 28.324 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 258 | GLU | -1 | -0.888 | -0.954 | 30.606 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 259 | MET | 0 | -0.027 | 0.001 | 33.285 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 260 | ILE | 0 | 0.011 | -0.006 | 33.467 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 261 | LYS | 1 | 0.806 | 0.892 | 34.340 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 262 | ALA | 0 | -0.006 | 0.003 | 36.453 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 263 | ASP | -1 | -0.927 | -0.963 | 39.086 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 264 | TYR | 0 | -0.064 | -0.050 | 39.428 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 265 | PRO | 0 | 0.021 | 0.019 | 38.904 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 266 | ASP | -1 | -0.933 | -0.978 | 38.775 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 267 | LEU | 0 | -0.060 | -0.013 | 37.790 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 268 | PRO | 0 | -0.033 | -0.017 | 35.540 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 269 | VAL | 0 | 0.008 | -0.008 | 31.483 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 270 | VAL | 0 | -0.012 | 0.002 | 27.603 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 271 | ALA | 0 | 0.017 | 0.012 | 26.658 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 272 | GLY | 0 | 0.038 | 0.027 | 22.998 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 273 | ASN | 0 | -0.057 | -0.016 | 20.027 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 274 | VAL | 0 | 0.012 | -0.010 | 17.931 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 275 | ALA | 0 | -0.007 | -0.026 | 13.933 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 276 | THR | 0 | 0.008 | -0.016 | 12.138 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 277 | PRO | 0 | 0.070 | 0.053 | 13.059 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 278 | GLU | -1 | -0.720 | -0.864 | 13.936 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 279 | GLY | 0 | -0.009 | -0.004 | 16.784 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 280 | THR | 0 | -0.033 | -0.040 | 18.264 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 281 | GLU | -1 | -0.768 | -0.865 | 20.074 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 282 | ALA | 0 | -0.032 | -0.006 | 21.321 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 283 | LEU | 0 | 0.012 | 0.005 | 22.653 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 284 | ILE | 0 | -0.006 | -0.001 | 23.751 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 285 | LYS | 1 | 0.786 | 0.886 | 23.733 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 286 | ALA | 0 | 0.008 | 0.020 | 27.263 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 287 | GLY | 0 | 0.037 | 0.017 | 29.164 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 288 | ALA | 0 | -0.036 | -0.007 | 27.512 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 289 | ASP | -1 | -0.757 | -0.843 | 29.605 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 290 | ALA | 0 | 0.027 | 0.000 | 28.311 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 291 | VAL | 0 | -0.016 | 0.002 | 22.107 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 292 | LYS | 1 | 0.785 | 0.877 | 23.727 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 293 | VAL | 0 | 0.003 | -0.011 | 17.706 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 294 | GLY | 0 | 0.059 | 0.032 | 17.962 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 295 | VAL | 0 | -0.015 | 0.017 | 14.836 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 296 | GLY | 0 | 0.049 | 0.012 | 14.693 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 297 | PRO | 0 | 0.002 | 0.027 | 14.831 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 298 | GLY | 0 | 0.044 | 0.001 | 16.497 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 299 | SER | 0 | 0.011 | -0.004 | 14.926 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 300 | ILE | 0 | 0.017 | 0.002 | 15.335 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 301 | CYS | 0 | -0.059 | 0.008 | 16.798 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 302 | THR | 0 | 0.070 | 0.008 | 17.571 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 303 | THR | 0 | -0.001 | 0.007 | 15.336 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 304 | ARG | 1 | 0.892 | 0.950 | 11.431 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 305 | VAL | 0 | -0.031 | -0.015 | 13.825 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 306 | VAL | 0 | -0.018 | -0.010 | 16.279 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 307 | ALA | 0 | -0.020 | -0.007 | 15.262 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 308 | GLY | 0 | 0.016 | 0.027 | 11.284 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 309 | VAL | 0 | -0.036 | -0.020 | 9.841 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 310 | GLY | 0 | 0.001 | -0.028 | 10.856 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 311 | VAL | 0 | -0.028 | 0.003 | 9.762 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 312 | PRO | 0 | -0.083 | -0.036 | 8.745 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 313 | GLN | 0 | 0.060 | 0.006 | 11.865 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 314 | LEU | 0 | -0.013 | 0.012 | 14.393 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 315 | THR | 0 | 0.027 | 0.013 | 9.646 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 316 | ALA | 0 | 0.012 | 0.019 | 12.854 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 317 | VAL | 0 | 0.004 | -0.004 | 14.507 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 318 | MET | 0 | -0.002 | 0.023 | 14.131 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 319 | GLU | -1 | -0.821 | -0.897 | 10.978 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 320 | CYS | 0 | -0.046 | -0.011 | 15.512 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 321 | SER | 0 | 0.019 | -0.009 | 18.173 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 322 | GLU | -1 | -0.798 | -0.879 | 17.974 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 323 | VAL | 0 | -0.021 | 0.000 | 18.083 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 324 | ALA | 0 | 0.025 | 0.003 | 20.726 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 325 | ARG | 1 | 0.850 | 0.916 | 20.603 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 326 | LYS | 1 | 0.751 | 0.870 | 21.890 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 327 | TYR | 0 | -0.075 | -0.067 | 23.805 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 328 | ASP | -1 | -0.854 | -0.888 | 28.189 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 329 | VAL | 0 | -0.025 | 0.004 | 26.752 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 330 | PRO | 0 | -0.009 | 0.028 | 26.706 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 331 | ILE | 0 | 0.005 | -0.007 | 21.443 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 332 | ILE | 0 | 0.000 | 0.005 | 24.724 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 333 | ALA | 0 | 0.026 | 0.012 | 21.406 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 334 | ASP | -1 | -0.813 | -0.906 | 21.630 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 335 | GLY | 0 | 0.044 | 0.023 | 21.123 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 336 | GLY | 0 | -0.006 | -0.022 | 19.472 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 337 | ILE | 0 | -0.027 | -0.007 | 20.345 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 338 | ARG | 1 | 0.767 | 0.861 | 20.704 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 339 | TYR | 0 | 0.012 | 0.000 | 24.333 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 340 | SER | 0 | 0.072 | 0.037 | 26.607 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 341 | GLY | 0 | -0.016 | -0.002 | 26.554 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 342 | ASP | -1 | -0.765 | -0.895 | 22.236 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 343 | ILE | 0 | 0.021 | 0.015 | 23.316 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 344 | VAL | 0 | -0.006 | 0.011 | 25.774 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 345 | LYS | 1 | 0.808 | 0.904 | 20.135 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 346 | ALA | 0 | 0.014 | 0.001 | 21.179 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 347 | LEU | 0 | -0.006 | -0.004 | 22.235 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 348 | ALA | 0 | 0.017 | 0.008 | 23.345 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 349 | ALA | 0 | -0.027 | -0.018 | 18.741 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 350 | GLY | 0 | -0.010 | -0.006 | 20.162 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 351 | ALA | 0 | -0.037 | -0.010 | 22.833 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 352 | GLU | -1 | -0.822 | -0.882 | 24.226 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 353 | SER | 0 | -0.011 | -0.002 | 27.214 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 354 | VAL | 0 | -0.019 | -0.013 | 24.984 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 355 | MET | 0 | -0.014 | 0.022 | 25.832 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 356 | VAL | 0 | 0.002 | -0.004 | 25.795 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 357 | GLY | 0 | 0.074 | 0.021 | 27.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 358 | SER | 0 | -0.008 | -0.010 | 26.484 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 359 | ILE | 0 | 0.006 | 0.004 | 27.348 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 360 | PHE | 0 | 0.061 | 0.017 | 30.890 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 361 | ALA | 0 | 0.022 | 0.019 | 32.340 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 362 | GLY | 0 | -0.017 | -0.016 | 34.195 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 363 | THR | 0 | -0.042 | -0.023 | 36.481 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 364 | GLU | -1 | -0.751 | -0.844 | 38.746 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 365 | GLU | -1 | -0.793 | -0.903 | 41.147 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 366 | ALA | 0 | -0.019 | 0.003 | 37.428 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 367 | PRO | 0 | -0.026 | -0.020 | 37.543 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 368 | GLY | 0 | 0.014 | 0.023 | 39.377 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 369 | GLU | -1 | -0.911 | -0.947 | 40.491 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 370 | THR | 0 | -0.068 | -0.068 | 42.720 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 371 | ILE | 0 | 0.020 | 0.019 | 42.180 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 372 | LEU | 0 | -0.012 | -0.020 | 44.814 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 373 | TYR | 0 | 0.036 | 0.012 | 42.245 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 374 | GLN | 0 | -0.008 | -0.011 | 43.835 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 375 | GLY | 0 | 0.030 | 0.015 | 45.383 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 376 | ARG | 1 | 0.910 | 0.971 | 40.758 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 377 | LYS | 1 | 0.883 | 0.947 | 43.452 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 378 | TYR | 0 | -0.024 | -0.027 | 37.864 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 379 | LYS | 1 | 0.809 | 0.914 | 37.987 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 380 | ALA | 0 | 0.009 | 0.012 | 38.127 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 381 | TYR | 0 | -0.010 | -0.011 | 31.840 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 382 | ARG | 1 | 0.887 | 0.912 | 37.074 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 383 | GLY | 0 | 0.005 | 0.013 | 34.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 384 | MET | 0 | -0.038 | -0.020 | 31.536 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 410 | GLY | 0 | 0.042 | 0.025 | 34.709 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 411 | ILE | 0 | -0.080 | -0.048 | 30.929 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 412 | GLU | -1 | -0.848 | -0.913 | 34.263 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 413 | GLY | 0 | 0.009 | 0.002 | 34.868 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 414 | MET | 0 | -0.033 | -0.004 | 35.215 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 415 | VAL | 0 | -0.006 | 0.009 | 32.582 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 416 | PRO | 0 | 0.008 | -0.005 | 34.148 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 417 | TYR | 0 | -0.020 | -0.025 | 36.527 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 418 | LYS | 1 | 0.834 | 0.924 | 32.764 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 419 | GLY | 0 | 0.037 | 0.041 | 38.310 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 420 | THR | 0 | -0.046 | -0.055 | 40.945 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 421 | VAL | 0 | -0.015 | -0.033 | 37.500 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 422 | LYS | 1 | 0.853 | 0.921 | 38.684 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 423 | ASP | -1 | -0.818 | -0.873 | 40.401 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 424 | VAL | 0 | -0.013 | -0.011 | 34.268 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 425 | VAL | 0 | -0.012 | -0.012 | 35.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 426 | HIS | 0 | 0.023 | 0.021 | 36.351 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 427 | GLN | 0 | 0.003 | -0.003 | 32.202 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 428 | LEU | 0 | -0.032 | -0.022 | 30.166 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 429 | VAL | 0 | 0.010 | 0.004 | 32.583 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 430 | GLY | 0 | 0.026 | 0.014 | 35.081 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 431 | GLY | 0 | -0.031 | -0.021 | 32.250 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 432 | LEU | 0 | -0.004 | -0.006 | 29.383 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 433 | ARG | 1 | 0.867 | 0.919 | 31.572 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 434 | SER | 0 | -0.024 | -0.008 | 33.158 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 435 | GLY | 0 | 0.019 | 0.009 | 29.821 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 436 | MET | 0 | -0.026 | -0.013 | 30.667 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 437 | GLY | 0 | 0.020 | 0.028 | 32.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 438 | TYR | 0 | -0.024 | -0.013 | 30.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 439 | ILE | 0 | 0.004 | 0.006 | 26.985 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 440 | GLY | 0 | 0.023 | 0.020 | 30.867 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 441 | ALA | 0 | -0.051 | -0.018 | 31.334 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 442 | ARG | 1 | 0.872 | 0.900 | 33.493 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 443 | THR | 0 | 0.009 | 0.006 | 34.632 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 444 | ILE | 0 | 0.071 | 0.028 | 29.184 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 445 | LYS | 1 | 0.824 | 0.903 | 29.664 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 446 | GLU | -1 | -0.798 | -0.887 | 30.052 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 447 | LEU | 0 | -0.040 | -0.026 | 27.091 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 448 | GLN | 0 | -0.032 | -0.007 | 25.161 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 449 | GLU | -1 | -0.831 | -0.898 | 25.785 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 450 | LYS | 1 | 0.815 | 0.903 | 28.312 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 451 | ALA | 0 | 0.001 | 0.015 | 23.005 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 452 | VAL | 0 | 0.012 | 0.012 | 22.819 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 453 | PHE | 0 | -0.001 | -0.011 | 18.441 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 454 | VAL | 0 | 0.002 | 0.003 | 18.768 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 455 | LYS | 1 | 0.834 | 0.912 | 10.420 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 456 | ILE | 0 | -0.023 | -0.004 | 16.274 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 457 | THR | 0 | -0.010 | -0.005 | 15.526 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |