FMODB ID: 5259Z
Calculation Name: 4AVF-D-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4AVF
Chain ID: D
UniProt ID: Q9HXM5
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 | 315 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4215171.297918 |
---|---|
FMO2-HF: Nuclear repulsion | 4099573.493458 |
FMO2-HF: Total energy | -115597.80446 |
FMO2-MP2: Total energy | -115931.551421 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(D:1:MET)
Summations of interaction energy for
fragment #1(D: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. |
3.06 | 4.593 | -0.002 | -0.513 | -1.017 | 0.002 |
Interaction energy analysis for fragmet #1(D: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 | D | 3 | ARG | 1 | 0.947 | 0.974 | 3.860 | 2.735 | 4.268 | -0.002 | -0.513 | -1.017 | 0.002 |
4 | D | 4 | ILE | 0 | 0.015 | 0.003 | 5.761 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | D | 5 | SER | 0 | -0.016 | -0.007 | 8.406 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | D | 6 | GLN | 0 | -0.008 | -0.005 | 10.697 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | D | 7 | GLU | -1 | -0.816 | -0.867 | 13.059 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | D | 8 | ALA | 0 | -0.031 | -0.022 | 15.145 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | D | 9 | LEU | 0 | 0.026 | 0.024 | 18.177 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | D | 10 | THR | 0 | -0.020 | -0.035 | 21.785 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | D | 11 | PHE | 0 | 0.027 | -0.005 | 24.747 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | D | 12 | ASP | -1 | -0.785 | -0.859 | 27.717 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | D | 13 | ASP | -1 | -0.764 | -0.860 | 22.948 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | D | 14 | VAL | 0 | -0.031 | -0.013 | 25.970 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | D | 15 | LEU | 0 | -0.018 | -0.005 | 28.592 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | D | 16 | LEU | 0 | -0.010 | -0.002 | 32.074 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | D | 17 | ILE | 0 | -0.021 | -0.007 | 31.884 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | D | 18 | PRO | 0 | -0.038 | -0.026 | 35.700 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | D | 19 | GLY | 0 | 0.031 | 0.015 | 39.098 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | D | 20 | TYR | 0 | -0.113 | -0.075 | 41.113 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | D | 21 | SER | 0 | -0.003 | -0.027 | 44.294 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | D | 22 | GLU | -1 | -0.871 | -0.901 | 46.501 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | D | 23 | VAL | 0 | -0.027 | -0.011 | 48.047 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | D | 24 | LEU | 0 | 0.013 | 0.013 | 48.480 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | D | 25 | PRO | 0 | 0.067 | 0.021 | 47.052 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | D | 26 | LYS | 1 | 0.785 | 0.874 | 48.400 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | D | 27 | ASP | -1 | -0.799 | -0.881 | 50.747 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | D | 28 | VAL | 0 | -0.015 | 0.022 | 45.094 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | D | 29 | SER | 0 | -0.006 | -0.010 | 46.439 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | D | 30 | LEU | 0 | 0.004 | -0.027 | 43.591 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | D | 31 | LYS | 1 | 0.856 | 0.939 | 44.224 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | D | 32 | THR | 0 | -0.019 | -0.026 | 39.373 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | D | 33 | ARG | 1 | 0.830 | 0.906 | 40.142 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | D | 34 | LEU | 0 | -0.003 | 0.006 | 39.169 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | D | 35 | THR | 0 | -0.032 | -0.065 | 38.324 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | D | 36 | ARG | 1 | 0.863 | 0.932 | 35.862 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | D | 37 | GLY | 0 | 0.013 | 0.015 | 41.034 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | D | 38 | ILE | 0 | -0.035 | -0.004 | 43.255 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | D | 39 | GLU | -1 | -0.811 | -0.895 | 43.187 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | D | 40 | LEU | 0 | -0.063 | -0.022 | 41.763 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | D | 41 | ASN | 0 | -0.038 | -0.054 | 45.524 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | D | 42 | ILE | 0 | 0.039 | 0.025 | 44.847 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | D | 43 | PRO | 0 | 0.019 | 0.013 | 39.309 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | D | 44 | LEU | 0 | -0.033 | -0.025 | 39.509 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | D | 45 | VAL | 0 | 0.029 | 0.005 | 38.812 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | D | 46 | SER | 0 | 0.013 | -0.006 | 40.044 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | D | 47 | ALA | 0 | 0.024 | -0.016 | 37.513 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | D | 48 | ALA | 0 | 0.028 | 0.041 | 37.909 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | D | 49 | MET | 0 | -0.066 | -0.034 | 37.576 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | D | 50 | ASP | -1 | -0.776 | -0.897 | 40.056 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | D | 51 | THR | 0 | -0.017 | -0.005 | 41.136 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | D | 52 | VAL | 0 | -0.080 | -0.047 | 40.736 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | D | 53 | THR | 0 | 0.023 | 0.001 | 42.508 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | D | 54 | GLU | -1 | -0.798 | -0.883 | 45.115 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | D | 55 | ALA | 0 | -0.005 | -0.013 | 48.213 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | D | 56 | ARG | 1 | 0.840 | 0.923 | 51.233 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | D | 57 | LEU | 0 | 0.027 | 0.022 | 45.338 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | D | 58 | ALA | 0 | -0.010 | -0.012 | 47.509 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | D | 59 | ILE | 0 | 0.002 | 0.005 | 48.456 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | D | 60 | ALA | 0 | -0.010 | 0.005 | 50.152 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | D | 61 | MET | 0 | 0.005 | -0.001 | 43.585 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | D | 62 | ALA | 0 | -0.012 | 0.009 | 47.931 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | D | 63 | GLN | 0 | -0.007 | -0.014 | 49.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | D | 64 | GLU | -1 | -0.881 | -0.964 | 48.877 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | D | 65 | GLY | 0 | 0.011 | 0.019 | 49.053 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | D | 66 | GLY | 0 | 0.006 | 0.014 | 45.028 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | D | 67 | ILE | 0 | 0.014 | 0.000 | 42.743 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | D | 68 | GLY | 0 | 0.054 | 0.024 | 43.753 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | D | 69 | ILE | 0 | -0.059 | -0.025 | 39.516 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | D | 70 | ILE | 0 | 0.022 | -0.004 | 42.468 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | D | 71 | HIS | 0 | -0.042 | -0.025 | 41.491 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | D | 72 | LYS | 1 | 0.809 | 0.876 | 35.102 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | D | 73 | ASN | 0 | -0.085 | -0.028 | 41.183 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | D | 74 | MET | 0 | -0.006 | 0.005 | 42.519 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | D | 75 | GLY | 0 | 0.049 | 0.023 | 44.948 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | D | 76 | ILE | 0 | 0.014 | 0.004 | 44.958 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | D | 77 | GLU | -1 | -0.762 | -0.861 | 47.685 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | D | 78 | GLN | 0 | 0.006 | 0.012 | 49.268 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | D | 79 | GLN | 0 | 0.046 | 0.007 | 42.498 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | D | 80 | ALA | 0 | -0.005 | 0.001 | 48.163 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | D | 81 | ALA | 0 | -0.014 | -0.015 | 50.543 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | D | 82 | GLU | -1 | -0.777 | -0.872 | 49.503 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | D | 83 | VAL | 0 | 0.008 | 0.001 | 48.052 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | D | 84 | ARG | 1 | 0.820 | 0.880 | 50.904 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | D | 85 | LYS | 1 | 0.814 | 0.896 | 53.848 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | D | 86 | VAL | 0 | 0.005 | 0.005 | 50.240 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | D | 87 | LYS | 1 | 0.725 | 0.834 | 50.826 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | D | 88 | LYS | 1 | 0.912 | 0.949 | 54.603 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | D | 89 | HIS | 0 | -0.024 | 0.006 | 56.379 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | D | 205 | THR | 0 | 0.012 | -0.008 | 59.792 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | D | 206 | TYR | 0 | 0.009 | 0.005 | 55.025 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | D | 207 | PRO | 0 | -0.008 | -0.007 | 56.014 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | D | 208 | LEU | 0 | 0.021 | 0.014 | 50.279 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | D | 209 | ALA | 0 | -0.016 | 0.013 | 51.285 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | D | 210 | SER | 0 | -0.022 | -0.018 | 47.494 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | D | 211 | LYS | 1 | 0.898 | 0.943 | 50.301 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | D | 212 | ASP | -1 | -0.746 | -0.843 | 51.374 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | D | 213 | GLU | -1 | -0.835 | -0.922 | 51.841 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | D | 214 | GLN | 0 | -0.061 | -0.024 | 55.390 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | D | 215 | GLY | 0 | 0.004 | 0.009 | 56.616 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | D | 216 | ARG | 1 | 0.834 | 0.910 | 53.306 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | D | 217 | LEU | 0 | 0.002 | 0.006 | 52.014 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | D | 218 | ARG | 1 | 0.795 | 0.899 | 47.482 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | D | 219 | VAL | 0 | -0.022 | -0.023 | 47.081 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | D | 220 | GLY | 0 | 0.054 | 0.013 | 43.397 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | D | 221 | ALA | 0 | -0.013 | 0.000 | 43.243 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | D | 222 | ALA | 0 | -0.002 | 0.014 | 38.213 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | D | 223 | VAL | 0 | 0.026 | 0.012 | 37.667 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | D | 224 | GLY | 0 | 0.040 | 0.027 | 35.114 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | D | 225 | THR | 0 | 0.008 | -0.014 | 31.649 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | D | 226 | GLY | 0 | 0.030 | 0.022 | 34.783 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | D | 227 | ALA | 0 | 0.031 | 0.015 | 36.449 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | D | 228 | ASP | -1 | -0.774 | -0.874 | 39.520 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | D | 229 | THR | 0 | -0.044 | -0.039 | 37.745 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | D | 230 | GLY | 0 | -0.021 | -0.010 | 40.609 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | D | 231 | GLU | -1 | -0.894 | -0.949 | 42.584 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | D | 232 | ARG | 1 | 0.778 | 0.873 | 41.522 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | D | 233 | VAL | 0 | 0.013 | -0.002 | 40.902 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | D | 234 | ALA | 0 | 0.020 | 0.022 | 44.149 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | D | 235 | ALA | 0 | 0.005 | -0.001 | 47.417 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | D | 236 | LEU | 0 | -0.006 | -0.009 | 44.046 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | D | 237 | VAL | 0 | 0.012 | 0.002 | 46.196 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | D | 238 | ALA | 0 | -0.028 | -0.006 | 48.827 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | D | 239 | ALA | 0 | -0.085 | -0.039 | 50.511 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | D | 240 | GLY | 0 | -0.010 | -0.004 | 51.498 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | D | 241 | VAL | 0 | -0.064 | -0.027 | 45.728 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | D | 242 | ASP | -1 | -0.741 | -0.841 | 46.618 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | D | 243 | VAL | 0 | -0.025 | -0.017 | 40.656 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | D | 244 | VAL | 0 | 0.020 | 0.018 | 39.695 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | D | 245 | VAL | 0 | 0.004 | -0.008 | 35.841 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | D | 246 | VAL | 0 | 0.004 | 0.001 | 33.392 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | D | 247 | ASP | -1 | -0.821 | -0.892 | 33.188 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | D | 248 | THR | 0 | -0.018 | -0.023 | 29.283 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | D | 249 | ALA | 0 | 0.026 | 0.007 | 26.730 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | D | 250 | HIS | 0 | 0.004 | -0.003 | 21.296 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | D | 251 | GLY | 0 | 0.052 | 0.035 | 25.681 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | D | 252 | HIS | 0 | 0.017 | 0.012 | 20.749 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | D | 253 | SER | 0 | -0.020 | -0.027 | 23.031 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | D | 254 | LYS | 1 | 0.929 | 0.970 | 25.268 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | D | 255 | GLY | 0 | 0.032 | 0.017 | 27.274 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | D | 256 | VAL | 0 | 0.002 | 0.002 | 28.918 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | D | 257 | ILE | 0 | 0.004 | 0.011 | 25.698 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | D | 258 | GLU | -1 | -0.866 | -0.953 | 30.182 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | D | 259 | ARG | 1 | 0.843 | 0.945 | 32.691 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | D | 260 | VAL | 0 | 0.022 | -0.002 | 33.165 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | D | 261 | ARG | 1 | 0.930 | 0.961 | 30.427 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | D | 262 | TRP | 0 | -0.012 | -0.002 | 36.150 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | D | 263 | VAL | 0 | -0.006 | -0.002 | 38.417 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | D | 264 | LYS | 1 | 0.837 | 0.921 | 38.990 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | D | 265 | GLN | 0 | -0.019 | -0.022 | 39.489 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | D | 266 | THR | 0 | -0.078 | -0.038 | 42.064 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | D | 267 | PHE | 0 | -0.022 | -0.025 | 43.673 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | D | 268 | PRO | 0 | 0.033 | 0.026 | 44.241 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | D | 269 | ASP | -1 | -0.915 | -0.960 | 45.173 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | D | 270 | VAL | 0 | -0.072 | -0.013 | 43.427 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | D | 271 | GLN | 0 | 0.013 | 0.027 | 41.701 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | D | 272 | VAL | 0 | -0.013 | -0.012 | 37.232 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | D | 273 | ILE | 0 | 0.006 | 0.007 | 34.516 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | D | 274 | GLY | 0 | 0.032 | 0.021 | 32.393 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | D | 275 | GLY | 0 | -0.004 | 0.000 | 29.572 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | D | 276 | ASN | 0 | -0.020 | -0.007 | 27.710 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | D | 277 | ILE | 0 | -0.013 | -0.012 | 24.921 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | D | 278 | ALA | 0 | 0.019 | -0.005 | 21.578 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | D | 279 | THR | 0 | 0.030 | 0.008 | 18.247 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | D | 280 | ALA | 0 | 0.108 | 0.045 | 20.548 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | D | 281 | GLU | -1 | -0.812 | -0.906 | 20.017 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | D | 282 | ALA | 0 | -0.015 | -0.001 | 22.145 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | D | 283 | ALA | 0 | 0.019 | 0.008 | 24.154 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | D | 284 | LYS | 1 | 0.878 | 0.925 | 21.915 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | D | 285 | ALA | 0 | -0.011 | 0.001 | 25.459 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | D | 286 | LEU | 0 | -0.027 | -0.014 | 27.445 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | D | 287 | ALA | 0 | 0.011 | 0.004 | 29.968 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | D | 288 | GLU | -1 | -0.889 | -0.921 | 30.117 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | D | 289 | ALA | 0 | -0.044 | -0.025 | 31.608 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | D | 290 | GLY | 0 | 0.025 | 0.011 | 33.328 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | D | 291 | ALA | 0 | -0.042 | -0.016 | 33.697 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | D | 292 | ASP | -1 | -0.763 | -0.871 | 35.684 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | D | 293 | ALA | 0 | 0.028 | 0.004 | 34.992 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | D | 294 | VAL | 0 | -0.007 | 0.000 | 29.428 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | D | 295 | LYS | 1 | 0.795 | 0.879 | 31.205 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | D | 296 | VAL | 0 | -0.004 | -0.007 | 26.012 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | D | 297 | GLY | 0 | 0.071 | 0.032 | 26.685 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | D | 298 | ILE | 0 | -0.022 | 0.012 | 22.143 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | D | 299 | GLY | 0 | 0.044 | 0.010 | 23.347 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | D | 300 | PRO | 0 | 0.020 | 0.027 | 23.601 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | D | 301 | GLY | 0 | 0.017 | 0.000 | 25.674 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | D | 302 | SER | 0 | -0.005 | -0.024 | 25.080 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | D | 303 | ILE | 0 | 0.038 | 0.022 | 25.036 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | D | 304 | CYS | 0 | -0.083 | -0.004 | 25.534 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | D | 305 | THR | 0 | 0.100 | 0.020 | 25.486 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | D | 306 | THR | 0 | -0.007 | 0.004 | 22.267 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | D | 307 | ARG | 1 | 0.887 | 0.949 | 20.829 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | D | 308 | ILE | 0 | -0.022 | -0.011 | 20.873 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | D | 309 | VAL | 0 | -0.013 | -0.005 | 22.797 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | D | 310 | ALA | 0 | -0.017 | -0.008 | 20.237 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | D | 311 | GLY | 0 | 0.008 | 0.025 | 17.126 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | D | 312 | VAL | 0 | -0.040 | -0.024 | 16.812 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | D | 313 | GLY | 0 | -0.007 | -0.027 | 18.864 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | D | 314 | VAL | 0 | -0.041 | -0.007 | 18.554 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | D | 315 | PRO | 0 | -0.036 | -0.017 | 19.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | D | 316 | GLN | 0 | 0.050 | 0.007 | 22.038 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | D | 317 | ILE | 0 | -0.005 | 0.018 | 24.898 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | D | 318 | SER | 0 | 0.047 | 0.018 | 20.057 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | D | 319 | ALA | 0 | -0.038 | -0.002 | 22.186 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | D | 320 | ILE | 0 | -0.028 | -0.016 | 23.194 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | D | 321 | ALA | 0 | 0.070 | 0.047 | 23.748 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | D | 322 | ASN | 0 | -0.073 | -0.051 | 18.576 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | D | 323 | VAL | 0 | -0.054 | -0.026 | 22.680 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | D | 324 | ALA | 0 | 0.024 | 0.006 | 25.558 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | D | 325 | ALA | 0 | -0.002 | -0.008 | 24.073 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | D | 326 | ALA | 0 | -0.073 | -0.022 | 24.121 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | D | 327 | LEU | 0 | -0.024 | -0.009 | 26.041 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | D | 328 | GLU | -1 | -0.784 | -0.855 | 29.552 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | D | 329 | GLY | 0 | -0.015 | -0.004 | 31.525 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | D | 330 | THR | 0 | -0.072 | -0.059 | 30.922 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | D | 331 | GLY | 0 | 0.034 | 0.013 | 34.145 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | D | 332 | VAL | 0 | -0.054 | -0.014 | 32.604 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | D | 333 | PRO | 0 | -0.007 | 0.006 | 33.524 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | D | 334 | LEU | 0 | -0.003 | 0.004 | 29.063 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | D | 335 | ILE | 0 | 0.001 | 0.000 | 32.660 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | D | 336 | ALA | 0 | 0.028 | 0.017 | 30.612 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | D | 337 | ASP | -1 | -0.795 | -0.899 | 30.418 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | D | 338 | GLY | 0 | 0.073 | 0.030 | 30.019 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | D | 339 | GLY | 0 | -0.038 | -0.037 | 29.220 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | D | 340 | ILE | 0 | -0.014 | -0.003 | 30.115 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | D | 341 | ARG | 1 | 0.727 | 0.809 | 31.264 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | D | 342 | PHE | 0 | 0.011 | 0.007 | 34.554 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | D | 343 | SER | 0 | 0.048 | 0.027 | 37.249 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | D | 344 | GLY | 0 | 0.053 | 0.027 | 37.169 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | D | 345 | ASP | -1 | -0.762 | -0.869 | 33.032 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | D | 346 | LEU | 0 | 0.003 | 0.007 | 33.598 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | D | 347 | ALA | 0 | 0.020 | 0.006 | 35.616 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | D | 348 | LYS | 1 | 0.820 | 0.901 | 30.807 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | D | 349 | ALA | 0 | 0.008 | -0.006 | 30.976 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | D | 350 | MET | 0 | -0.045 | -0.016 | 31.875 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | D | 351 | VAL | 0 | 0.053 | 0.032 | 31.641 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | D | 352 | ALA | 0 | -0.056 | -0.021 | 27.769 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | D | 353 | GLY | 0 | 0.062 | 0.027 | 28.422 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | D | 354 | ALA | 0 | -0.049 | -0.017 | 30.986 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | D | 355 | TYR | 0 | 0.031 | 0.018 | 32.685 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | D | 356 | CYS | 0 | -0.035 | 0.004 | 35.613 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | D | 357 | VAL | 0 | -0.004 | -0.003 | 34.402 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | D | 358 | MET | 0 | -0.031 | 0.018 | 34.985 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | D | 359 | MET | 0 | -0.030 | -0.004 | 35.790 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | D | 360 | GLY | 0 | 0.084 | 0.013 | 37.619 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | D | 361 | SER | 0 | -0.001 | -0.008 | 36.551 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | D | 362 | MET | 0 | -0.037 | -0.007 | 37.965 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | D | 363 | PHE | 0 | 0.059 | 0.010 | 40.731 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | D | 364 | ALA | 0 | 0.055 | 0.049 | 41.921 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | D | 365 | GLY | 0 | 0.023 | 0.010 | 43.825 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | D | 366 | THR | 0 | -0.014 | -0.017 | 46.676 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | D | 367 | GLU | -1 | -0.825 | -0.874 | 48.858 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | D | 368 | GLU | -1 | -0.807 | -0.924 | 50.442 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | D | 369 | ALA | 0 | -0.031 | -0.003 | 46.843 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | D | 370 | PRO | 0 | -0.013 | -0.004 | 46.391 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | D | 371 | GLY | 0 | 0.024 | 0.013 | 49.022 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | D | 372 | GLU | -1 | -0.915 | -0.954 | 50.490 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | D | 373 | ILE | 0 | -0.031 | -0.019 | 52.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | D | 374 | GLU | -1 | -0.880 | -0.921 | 52.645 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | D | 375 | LEU | 0 | -0.026 | -0.018 | 54.155 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | D | 376 | PHE | 0 | 0.040 | 0.013 | 50.765 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | D | 377 | GLN | 0 | -0.019 | -0.024 | 51.855 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | D | 378 | GLY | 0 | 0.012 | 0.014 | 54.854 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | D | 379 | ARG | 1 | 0.917 | 0.965 | 50.396 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | D | 380 | SER | 0 | 0.053 | 0.026 | 53.089 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | D | 381 | TYR | 0 | -0.034 | -0.020 | 47.606 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | D | 382 | LYS | 1 | 0.784 | 0.916 | 48.516 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | D | 383 | SER | 0 | -0.033 | -0.024 | 48.341 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | D | 384 | TYR | 0 | 0.013 | 0.009 | 46.060 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | D | 423 | VAL | 0 | -0.006 | -0.008 | 42.926 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | D | 424 | PRO | 0 | -0.005 | -0.008 | 44.218 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | D | 425 | TYR | 0 | -0.035 | -0.040 | 46.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | D | 426 | LYS | 1 | 0.811 | 0.901 | 43.274 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | D | 427 | GLY | 0 | 0.017 | 0.022 | 49.249 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | D | 428 | ALA | 0 | 0.014 | 0.005 | 51.081 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | D | 429 | LEU | 0 | 0.028 | -0.004 | 45.668 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | D | 430 | SER | 0 | 0.030 | 0.021 | 48.316 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | D | 431 | ALA | 0 | -0.009 | 0.008 | 50.063 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | D | 432 | ILE | 0 | 0.002 | -0.003 | 43.842 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | D | 433 | VAL | 0 | 0.006 | 0.006 | 45.310 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | D | 434 | HIS | 0 | 0.039 | 0.019 | 46.033 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | D | 435 | GLN | 0 | -0.017 | -0.003 | 44.663 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | D | 436 | LEU | 0 | -0.059 | -0.048 | 40.068 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | D | 437 | MET | 0 | 0.035 | 0.022 | 42.729 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | D | 438 | GLY | 0 | 0.002 | 0.006 | 45.037 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | D | 439 | GLY | 0 | -0.022 | -0.010 | 42.435 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | D | 440 | LEU | 0 | 0.010 | 0.006 | 38.988 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | D | 441 | ARG | 1 | 0.867 | 0.918 | 41.612 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | D | 442 | ALA | 0 | -0.016 | -0.005 | 43.823 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | D | 443 | ALA | 0 | -0.016 | -0.008 | 38.873 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | D | 444 | MET | 0 | -0.035 | -0.022 | 40.827 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | D | 445 | GLY | 0 | 0.021 | 0.021 | 42.022 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | D | 446 | TYR | 0 | -0.023 | -0.013 | 41.276 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | D | 447 | THR | 0 | 0.000 | -0.018 | 37.427 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | D | 448 | GLY | 0 | 0.011 | 0.028 | 40.325 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | D | 449 | SER | 0 | -0.050 | -0.029 | 39.278 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | D | 450 | ALA | 0 | 0.046 | 0.020 | 42.242 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | D | 451 | ASP | -1 | -0.841 | -0.904 | 42.628 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | D | 452 | ILE | 0 | 0.063 | 0.018 | 38.917 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | D | 453 | GLN | 0 | 0.026 | 0.021 | 37.202 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | D | 454 | GLN | 0 | -0.015 | -0.023 | 38.119 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | D | 455 | MET | 0 | -0.032 | 0.011 | 36.897 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | D | 456 | ARG | 1 | 0.751 | 0.868 | 32.206 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | D | 457 | THR | 0 | -0.082 | -0.043 | 33.256 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | D | 458 | GLN | 0 | -0.035 | -0.004 | 34.512 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | D | 459 | PRO | 0 | 0.001 | 0.002 | 34.958 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | D | 460 | GLN | 0 | 0.008 | 0.009 | 31.573 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | D | 461 | PHE | 0 | -0.008 | -0.013 | 28.466 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | D | 462 | VAL | 0 | 0.019 | 0.022 | 29.242 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | D | 463 | ARG | 1 | 0.754 | 0.835 | 19.305 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | D | 464 | ILE | 0 | -0.026 | -0.006 | 26.815 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | D | 465 | THR | 0 | 0.030 | -0.002 | 24.855 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | D | 466 | GLY | 0 | 0.018 | 0.001 | 25.901 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | D | 467 | ALA | 0 | -0.027 | -0.001 | 27.689 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | D | 468 | GLY | 0 | -0.021 | -0.003 | 30.233 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |