![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: R9348
Calculation Name: 4Z9P-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4Z9P
Chain ID: A
UniProt ID: P18272
Base Structure: X-ray
Registration Date: 2023-09-20
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
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 | 307 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4319954.875547 |
---|---|
FMO2-HF: Nuclear repulsion | 4200567.424017 |
FMO2-HF: Total energy | -119387.45153 |
FMO2-MP2: Total energy | -119737.121451 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F031570/ligand_interaction/ligand_F031570.png)
Ligand Interaction
![ligand interaction](./Kdata/F031570/ligand_interaction/ligand_interaction_F031570.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:35:ALA)
Summations of interaction energy for
fragment #1(A:35:ALA)
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. |
-4.199 | -2.64 | -0.004 | -0.637 | -0.917 | 0.002 |
Interaction energy analysis for fragmet #1(A:35:ALA)
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 | 37 | ARG | 1 | 0.946 | 0.970 | 3.813 | -4.227 | -2.887 | -0.006 | -0.584 | -0.749 | 0.002 |
4 | A | 38 | GLN | 0 | 0.001 | 0.000 | 4.007 | -0.685 | -0.466 | 0.002 | -0.053 | -0.168 | 0.000 |
5 | A | 39 | ARG | 1 | 0.939 | 0.971 | 6.565 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 40 | VAL | 0 | -0.019 | -0.012 | 8.546 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 41 | ILE | 0 | 0.004 | 0.004 | 12.014 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 42 | PRO | 0 | -0.023 | -0.006 | 14.957 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 43 | VAL | 0 | 0.043 | 0.024 | 18.491 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 44 | TYR | 0 | 0.039 | 0.001 | 20.903 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 45 | GLN | 0 | 0.011 | 0.004 | 24.327 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 46 | VAL | 0 | 0.024 | 0.022 | 27.155 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 47 | ASN | 0 | -0.049 | -0.031 | 30.506 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 48 | ASN | 0 | -0.012 | -0.036 | 32.890 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 49 | LEU | 0 | 0.002 | 0.015 | 27.680 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 50 | GLU | -1 | -0.893 | -0.952 | 31.530 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 51 | GLU | -1 | -0.737 | -0.853 | 33.864 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 52 | ILE | 0 | -0.024 | -0.028 | 28.989 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 53 | CYS | 0 | -0.083 | -0.051 | 29.369 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 54 | GLN | 0 | 0.020 | 0.019 | 30.628 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 55 | LEU | 0 | 0.062 | 0.047 | 31.915 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 56 | ILE | 0 | -0.093 | -0.045 | 26.157 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 57 | ILE | 0 | -0.046 | -0.023 | 29.141 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 58 | GLN | 0 | 0.049 | 0.029 | 30.799 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 59 | ALA | 0 | -0.004 | -0.006 | 29.163 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 60 | PHE | 0 | -0.049 | -0.051 | 23.116 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 61 | GLU | -1 | -0.910 | -0.946 | 28.676 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 62 | ALA | 0 | -0.036 | -0.009 | 32.013 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 63 | GLY | 0 | -0.050 | -0.021 | 28.899 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 64 | VAL | 0 | -0.044 | -0.019 | 27.072 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 65 | ASP | -1 | -0.886 | -0.941 | 22.881 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 66 | PHE | 0 | 0.007 | -0.022 | 22.435 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 67 | GLN | 0 | -0.063 | -0.023 | 19.791 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 68 | GLU | -1 | -0.866 | -0.922 | 15.855 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 69 | SER | 0 | -0.036 | -0.018 | 17.262 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 70 | ALA | 0 | 0.008 | 0.006 | 19.038 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 71 | ASP | -1 | -0.866 | -0.933 | 14.347 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 72 | SER | 0 | -0.025 | -0.030 | 17.798 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 73 | PHE | 0 | 0.031 | 0.013 | 19.814 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 74 | LEU | 0 | 0.018 | 0.005 | 19.748 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 75 | LEU | 0 | -0.023 | -0.006 | 17.834 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 76 | MET | 0 | -0.023 | 0.002 | 21.178 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 77 | LEU | 0 | 0.049 | 0.028 | 24.601 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 78 | CYS | 0 | -0.043 | -0.021 | 22.412 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 79 | LEU | 0 | -0.027 | -0.010 | 23.965 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 80 | HIS | 0 | 0.042 | 0.000 | 25.303 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 81 | HIS | 0 | -0.073 | -0.037 | 27.566 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 82 | ALA | 0 | -0.026 | -0.010 | 25.174 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 83 | TYR | 0 | -0.030 | -0.026 | 21.731 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 84 | GLN | 0 | 0.014 | 0.023 | 27.612 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 85 | GLY | 0 | 0.021 | 0.010 | 29.051 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 86 | ASP | -1 | -0.891 | -0.943 | 28.740 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 87 | TYR | 0 | 0.005 | -0.030 | 24.702 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 88 | LYS | 1 | 0.927 | 0.974 | 24.435 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 89 | LEU | 0 | 0.033 | 0.016 | 24.623 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 90 | PHE | 0 | 0.010 | 0.004 | 18.869 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 91 | LEU | 0 | -0.051 | -0.032 | 19.698 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 92 | GLU | -1 | -0.964 | -0.964 | 19.703 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 93 | SER | 0 | -0.003 | 0.006 | 20.166 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 94 | GLY | 0 | 0.006 | -0.018 | 18.935 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 95 | ALA | 0 | 0.006 | 0.008 | 17.080 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 96 | VAL | 0 | 0.039 | 0.022 | 15.308 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 97 | LYS | 1 | 0.980 | 0.991 | 14.267 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 98 | TYR | 0 | -0.007 | 0.007 | 11.110 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 99 | LEU | 0 | -0.009 | -0.007 | 10.687 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 100 | GLU | -1 | -0.922 | -0.967 | 9.503 | -0.421 | -0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 101 | GLY | 0 | -0.038 | 0.005 | 9.662 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 102 | HIS | 1 | 0.747 | 0.851 | 6.288 | 0.596 | 0.596 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 103 | GLY | 0 | 0.032 | 0.027 | 5.118 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 104 | PHE | 0 | -0.020 | 0.000 | 5.662 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 105 | ARG | 1 | 0.940 | 0.959 | 9.326 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 106 | PHE | 0 | 0.026 | 0.020 | 12.024 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 107 | GLU | -1 | -0.888 | -0.943 | 15.576 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 108 | VAL | 0 | 0.029 | 0.026 | 18.134 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 109 | LYS | 1 | 0.877 | 0.945 | 19.715 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 110 | LYS | 1 | 0.923 | 0.964 | 24.055 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 111 | ARG | 1 | 0.885 | 0.940 | 24.688 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 112 | ASP | -1 | -0.821 | -0.913 | 29.567 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 113 | GLY | 0 | -0.027 | -0.021 | 33.327 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 114 | VAL | 0 | -0.051 | -0.011 | 30.115 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 115 | LYS | 1 | 0.983 | 0.992 | 33.475 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 116 | ARG | 1 | 0.861 | 0.906 | 33.796 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 117 | LEU | 0 | 0.047 | 0.022 | 27.907 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 118 | GLU | -1 | -0.831 | -0.914 | 28.722 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 119 | GLU | -1 | -0.861 | -0.929 | 29.504 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 120 | LEU | 0 | -0.072 | -0.044 | 25.799 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 121 | LEU | 0 | -0.072 | -0.021 | 24.681 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 122 | PRO | 0 | -0.044 | -0.002 | 20.711 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 123 | ALA | 0 | 0.000 | -0.013 | 23.526 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 124 | VAL | 0 | -0.032 | -0.015 | 20.052 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 125 | SER | 0 | 0.025 | -0.006 | 22.029 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 126 | SER | 0 | -0.020 | -0.021 | 19.843 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 127 | GLY | 0 | 0.060 | 0.016 | 22.561 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 128 | LYS | 1 | 0.865 | 0.941 | 25.733 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 129 | ASN | 0 | 0.056 | -0.006 | 29.047 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 130 | ILE | 0 | 0.083 | 0.069 | 24.039 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 131 | LYS | 1 | 0.987 | 0.993 | 28.408 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 132 | ARG | 1 | 0.909 | 0.970 | 30.800 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 133 | THR | 0 | -0.007 | -0.011 | 31.026 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 134 | LEU | 0 | 0.010 | 0.000 | 28.137 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 135 | ALA | 0 | -0.009 | 0.004 | 32.665 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 136 | ALA | 0 | -0.082 | -0.037 | 35.794 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 137 | MET | 0 | -0.059 | -0.020 | 32.536 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 138 | PRO | 0 | -0.001 | 0.023 | 36.975 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 139 | GLU | -1 | -0.883 | -0.955 | 38.467 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 140 | GLU | -1 | -0.951 | -0.959 | 37.565 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 141 | GLU | -1 | -0.882 | -0.950 | 38.078 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 142 | THR | 0 | -0.117 | -0.062 | 37.415 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 143 | THR | 0 | 0.018 | 0.018 | 36.626 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 144 | GLU | -1 | -0.910 | -0.966 | 38.182 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 145 | ALA | 0 | -0.039 | -0.022 | 35.579 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 146 | ASN | 0 | 0.059 | 0.047 | 34.624 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 147 | ALA | 0 | 0.064 | 0.019 | 29.266 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 148 | GLY | 0 | 0.062 | 0.030 | 29.919 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 149 | GLN | 0 | -0.005 | -0.012 | 31.111 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 150 | PHE | 0 | 0.010 | 0.010 | 25.940 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 151 | LEU | 0 | -0.018 | -0.009 | 24.756 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 152 | SER | 0 | 0.030 | 0.018 | 27.550 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 153 | PHE | 0 | 0.044 | 0.037 | 29.992 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 154 | ALA | 0 | 0.040 | 0.007 | 25.606 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 155 | SER | 0 | -0.061 | -0.037 | 25.707 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 156 | LEU | 0 | 0.016 | 0.009 | 26.774 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 157 | PHE | 0 | -0.003 | -0.013 | 26.258 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 158 | LEU | 0 | -0.041 | -0.018 | 21.697 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 159 | PRO | 0 | 0.002 | 0.000 | 24.566 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 160 | LYS | 1 | 0.950 | 0.962 | 26.756 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 161 | LEU | 0 | 0.028 | 0.036 | 21.051 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 162 | VAL | 0 | -0.064 | -0.045 | 20.436 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 163 | VAL | 0 | -0.052 | -0.020 | 23.242 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 164 | GLY | 0 | 0.022 | 0.019 | 26.468 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 165 | GLU | -1 | -0.825 | -0.919 | 27.644 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 166 | LYS | 1 | 1.011 | 1.002 | 29.609 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 167 | ALA | 0 | -0.001 | -0.007 | 30.522 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 168 | CYS | 0 | -0.071 | -0.012 | 27.883 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 169 | LEU | 0 | 0.062 | 0.013 | 30.194 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 170 | GLU | -1 | -0.843 | -0.894 | 33.007 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 171 | LYS | 1 | 0.820 | 0.905 | 30.991 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 172 | VAL | 0 | 0.044 | 0.021 | 30.916 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 173 | GLN | 0 | 0.020 | 0.005 | 33.552 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 174 | ARG | 1 | 0.851 | 0.913 | 35.360 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 175 | GLN | 0 | -0.016 | -0.001 | 33.198 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 176 | ILE | 0 | 0.008 | 0.001 | 35.340 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 177 | GLN | 0 | -0.010 | -0.014 | 37.675 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 178 | VAL | 0 | -0.039 | -0.011 | 38.328 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 179 | HIS | 0 | 0.017 | -0.012 | 33.686 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 180 | ALA | 0 | 0.015 | 0.013 | 39.186 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 181 | GLU | -1 | -0.908 | -0.938 | 42.149 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 182 | GLN | 0 | -0.097 | -0.042 | 40.799 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 183 | GLY | 0 | 0.005 | 0.019 | 43.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 184 | LEU | 0 | -0.086 | -0.027 | 36.080 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 185 | ILE | 0 | -0.037 | -0.038 | 35.113 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 186 | GLN | 0 | 0.035 | 0.026 | 39.133 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 187 | TYR | 0 | -0.047 | -0.054 | 33.219 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 188 | PRO | 0 | 0.066 | 0.036 | 37.199 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 189 | THR | 0 | 0.022 | -0.005 | 39.775 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 190 | ALA | 0 | 0.055 | 0.033 | 38.932 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 191 | TRP | 0 | -0.022 | -0.019 | 33.239 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 192 | GLN | 0 | -0.024 | -0.023 | 36.132 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 193 | SER | 0 | 0.008 | 0.027 | 37.981 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 194 | VAL | 0 | 0.049 | 0.001 | 35.960 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 195 | GLY | 0 | 0.008 | -0.005 | 34.909 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 196 | HIS | 0 | 0.079 | 0.061 | 32.580 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 197 | MET | 0 | -0.030 | -0.016 | 31.953 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 198 | MET | 0 | -0.040 | -0.019 | 30.388 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 199 | VAL | 0 | 0.015 | 0.028 | 28.892 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 200 | ILE | 0 | 0.034 | 0.018 | 27.097 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 201 | PHE | 0 | -0.003 | -0.006 | 25.849 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 202 | ARG | 1 | 0.882 | 0.933 | 24.434 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 203 | LEU | 0 | 0.032 | 0.042 | 21.987 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 204 | MET | 0 | 0.018 | 0.008 | 21.173 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 205 | ARG | 1 | 0.883 | 0.942 | 18.663 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 206 | THR | 0 | -0.063 | -0.045 | 18.103 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 207 | ASN | 0 | 0.037 | 0.031 | 16.641 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 208 | PHE | 0 | -0.023 | -0.015 | 11.265 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 209 | LEU | 0 | 0.055 | 0.031 | 14.394 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 210 | ILE | 0 | 0.058 | 0.027 | 15.790 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 211 | LYS | 1 | 0.837 | 0.925 | 16.786 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 212 | PHE | 0 | 0.004 | -0.003 | 13.822 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 213 | LEU | 0 | 0.011 | -0.003 | 16.631 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 214 | LEU | 0 | 0.018 | 0.018 | 19.131 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 215 | ILE | 0 | -0.005 | -0.012 | 18.298 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 216 | HIS | 0 | 0.014 | 0.012 | 18.187 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 217 | GLN | 0 | 0.014 | -0.008 | 20.179 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 218 | GLY | 0 | -0.022 | -0.017 | 23.564 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 219 | MET | 0 | -0.110 | -0.046 | 19.278 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 220 | HIS | 1 | 0.734 | 0.855 | 20.715 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 221 | MET | 0 | 0.048 | 0.056 | 25.161 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 222 | VAL | 0 | 0.028 | 0.020 | 28.368 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 223 | ALA | 0 | -0.011 | -0.022 | 30.745 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 224 | GLY | 0 | -0.010 | -0.006 | 34.278 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 225 | HIS | 0 | -0.003 | 0.014 | 32.470 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 226 | ASP | -1 | -0.785 | -0.894 | 33.600 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 227 | ALA | 0 | 0.046 | 0.007 | 34.692 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 228 | ASN | 0 | 0.035 | 0.013 | 31.723 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 229 | ASP | -1 | -0.761 | -0.877 | 29.313 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 230 | ALA | 0 | -0.024 | -0.003 | 30.565 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 231 | VAL | 0 | -0.009 | 0.001 | 31.137 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 232 | ILE | 0 | -0.001 | 0.002 | 25.946 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 233 | SER | 0 | 0.006 | -0.011 | 27.508 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 234 | ASN | 0 | -0.042 | -0.014 | 28.637 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 235 | SER | 0 | 0.000 | -0.017 | 27.615 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 236 | VAL | 0 | -0.011 | -0.001 | 23.148 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 237 | ALA | 0 | -0.019 | -0.015 | 25.306 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 238 | GLN | 0 | -0.030 | -0.019 | 27.731 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 239 | ALA | 0 | -0.040 | -0.006 | 23.658 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 240 | ARG | 1 | 0.927 | 0.978 | 23.378 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 241 | PHE | 0 | 0.004 | -0.013 | 22.344 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 242 | SER | 0 | -0.020 | 0.010 | 22.989 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 243 | GLY | 0 | -0.030 | -0.033 | 21.700 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 244 | LEU | 0 | -0.015 | -0.016 | 18.512 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 245 | LEU | 0 | 0.001 | 0.006 | 22.576 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 246 | ILE | 0 | 0.029 | 0.025 | 23.417 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 247 | VAL | 0 | 0.019 | 0.003 | 20.962 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 248 | LYS | 1 | 0.948 | 0.978 | 24.389 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 249 | THR | 0 | 0.020 | -0.002 | 27.018 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 250 | VAL | 0 | 0.013 | 0.018 | 27.076 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 251 | LEU | 0 | -0.057 | -0.048 | 24.279 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 252 | ASP | -1 | -0.895 | -0.933 | 28.801 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 253 | HIS | 0 | -0.022 | -0.016 | 31.934 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 254 | ILE | 0 | -0.066 | -0.032 | 31.074 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 255 | LEU | 0 | -0.010 | -0.003 | 28.985 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 256 | GLN | 0 | 0.062 | 0.031 | 32.689 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 257 | LYS | 1 | 0.896 | 0.956 | 36.026 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 258 | THR | 0 | -0.064 | -0.013 | 38.336 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 259 | GLU | -1 | -0.768 | -0.851 | 41.463 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 260 | ARG | 1 | 0.843 | 0.894 | 40.441 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 261 | GLY | 0 | 0.063 | 0.020 | 37.098 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 262 | VAL | 0 | -0.002 | -0.009 | 32.382 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 263 | ARG | 1 | 0.921 | 0.952 | 34.871 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 264 | LEU | 0 | 0.020 | 0.018 | 30.561 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 265 | HIS | 0 | 0.103 | 0.056 | 34.512 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 266 | PRO | 0 | 0.005 | -0.006 | 36.717 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 267 | LEU | 0 | 0.026 | 0.009 | 37.984 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 268 | ALA | 0 | -0.048 | -0.021 | 32.854 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 269 | ARG | 1 | 0.900 | 0.942 | 33.828 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 270 | THR | 0 | -0.014 | 0.006 | 36.244 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 271 | ALA | 0 | 0.074 | 0.014 | 35.460 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 272 | LYS | 1 | 0.901 | 0.960 | 34.646 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 273 | VAL | 0 | 0.083 | 0.059 | 31.603 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 274 | LYS | 1 | 0.989 | 0.982 | 30.905 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 275 | ASN | 0 | 0.001 | 0.002 | 28.251 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 276 | GLU | -1 | -0.732 | -0.867 | 26.654 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 277 | VAL | 0 | 0.020 | 0.017 | 26.249 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 278 | ASN | 0 | -0.032 | -0.022 | 25.394 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 279 | SER | 0 | -0.012 | -0.007 | 22.425 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 280 | PHE | 0 | 0.031 | 0.023 | 21.373 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 281 | LYS | 1 | 0.956 | 0.980 | 21.694 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 282 | ALA | 0 | -0.032 | -0.013 | 18.908 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 283 | ALA | 0 | 0.021 | 0.009 | 17.187 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 284 | LEU | 0 | 0.010 | 0.007 | 17.150 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 285 | SER | 0 | -0.026 | -0.015 | 18.058 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 286 | SER | 0 | -0.063 | -0.037 | 12.621 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 287 | LEU | 0 | 0.026 | 0.018 | 13.598 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 288 | ALA | 0 | 0.032 | 0.005 | 15.541 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 289 | LYS | 1 | 0.896 | 0.955 | 11.973 | 0.395 | 0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 290 | HIS | 0 | -0.038 | -0.010 | 9.284 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 291 | GLY | 0 | 0.029 | 0.015 | 13.467 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 292 | GLU | -1 | -0.854 | -0.917 | 16.685 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 293 | TYR | 0 | 0.012 | -0.021 | 14.454 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 294 | ALA | 0 | -0.013 | 0.006 | 16.243 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 295 | PRO | 0 | -0.042 | -0.024 | 17.157 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 296 | PHE | 0 | 0.032 | 0.012 | 17.580 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 297 | ALA | 0 | 0.026 | 0.016 | 14.502 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 298 | ARG | 1 | 0.921 | 0.979 | 14.730 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 299 | LEU | 0 | 0.013 | -0.004 | 16.959 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 300 | LEU | 0 | -0.033 | -0.008 | 13.381 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 301 | ASN | 0 | -0.059 | -0.023 | 12.121 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 302 | LEU | 0 | 0.021 | 0.025 | 10.018 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 303 | SER | 0 | 0.046 | 0.000 | 7.105 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 304 | GLY | 0 | -0.014 | -0.008 | 9.149 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 305 | VAL | 0 | 0.042 | 0.026 | 12.084 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 306 | ASN | 0 | 0.004 | -0.009 | 13.820 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 307 | ASN | 0 | -0.032 | -0.010 | 14.454 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 308 | LEU | 0 | -0.030 | -0.016 | 17.381 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 309 | GLU | -1 | -0.930 | -0.957 | 19.692 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 310 | HIS | 0 | 0.027 | 0.008 | 21.476 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 311 | GLY | 0 | 0.030 | 0.009 | 25.148 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 312 | LEU | 0 | -0.019 | 0.002 | 20.435 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 313 | PHE | 0 | -0.062 | -0.028 | 21.860 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 314 | PRO | 0 | 0.026 | 0.024 | 27.409 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 315 | GLN | 0 | -0.006 | -0.027 | 30.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 316 | LEU | 0 | -0.019 | -0.015 | 27.603 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 317 | SER | 0 | -0.011 | -0.016 | 29.967 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 318 | ALA | 0 | 0.012 | 0.009 | 31.617 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 319 | ILE | 0 | -0.029 | -0.014 | 34.215 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 320 | ALA | 0 | 0.002 | -0.005 | 32.317 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 321 | LEU | 0 | -0.012 | 0.005 | 34.417 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 322 | GLY | 0 | 0.010 | 0.003 | 36.519 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 323 | VAL | 0 | -0.087 | -0.037 | 36.926 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 324 | ALA | 0 | -0.042 | -0.017 | 36.090 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 325 | THR | 0 | -0.064 | -0.016 | 38.237 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 335 | ASN | 0 | 0.049 | 0.026 | 21.981 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 336 | VAL | 0 | 0.028 | -0.005 | 19.464 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 337 | GLY | 0 | 0.012 | 0.004 | 20.671 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 338 | GLU | -1 | -0.889 | -0.949 | 21.264 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 339 | GLN | 0 | 0.054 | 0.020 | 24.759 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 340 | TYR | 0 | 0.000 | -0.001 | 21.336 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 341 | GLN | 0 | 0.003 | 0.000 | 22.774 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 342 | GLN | 0 | 0.051 | 0.028 | 25.801 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 343 | LEU | 0 | 0.013 | 0.019 | 24.350 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 344 | ARG | 1 | 0.841 | 0.898 | 23.753 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 345 | GLU | -1 | -0.942 | -0.952 | 27.056 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 346 | ALA | 0 | 0.040 | 0.020 | 30.632 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 347 | ALA | 0 | -0.066 | -0.045 | 28.625 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 348 | THR | 0 | -0.082 | -0.042 | 29.517 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 349 | GLU | -1 | -0.912 | -0.957 | 31.669 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 350 | ALA | 0 | -0.104 | -0.030 | 33.604 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |