![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: MVGKZ
Calculation Name: 2PGE-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2PGE
Chain ID: A
UniProt ID: Q6ARP5
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 | 359 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -5734814.147121 |
---|---|
FMO2-HF: Nuclear repulsion | 5596101.170672 |
FMO2-HF: Total energy | -138712.97645 |
FMO2-MP2: Total energy | -139120.358735 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F030975/ligand_interaction/ligand_F030975.png)
Ligand Interaction
![ligand interaction](./Kdata/F030975/ligand_interaction/ligand_interaction_F030975.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:3:SER)
Summations of interaction energy for
fragment #1(A:3:SER)
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. |
-6.124 | -1.841 | 0.036 | -2.154 | -2.166 | -0.005 |
Interaction energy analysis for fragmet #1(A:3:SER)
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 | 5 | MET | 0 | -0.055 | -0.014 | 3.796 | -1.778 | 0.096 | -0.027 | -1.098 | -0.749 | 0.001 |
4 | A | 6 | GLU | -1 | -0.995 | -0.999 | 6.675 | 0.483 | 0.483 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 7 | LEU | 0 | 0.004 | 0.014 | 9.471 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 8 | SER | 0 | -0.042 | -0.019 | 13.001 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 9 | TYR | 0 | -0.047 | -0.074 | 15.671 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 10 | ARG | 1 | 0.939 | 0.971 | 19.396 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 11 | ARG | 1 | 0.796 | 0.892 | 22.799 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 12 | SER | 0 | -0.054 | -0.040 | 25.750 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 13 | ASP | -1 | -0.763 | -0.855 | 28.862 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 14 | LEU | 0 | -0.005 | 0.013 | 31.678 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 15 | ILE | 0 | -0.017 | -0.024 | 34.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 16 | PHE | 0 | 0.008 | 0.001 | 37.636 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 17 | LYS | 1 | 0.917 | 0.952 | 40.743 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 18 | ARG | 1 | 0.970 | 0.998 | 43.219 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 26 | VAL | 0 | 0.003 | -0.016 | 43.646 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 27 | LEU | 0 | -0.051 | -0.008 | 39.642 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 28 | THR | 0 | 0.045 | 0.014 | 40.204 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 29 | SER | 0 | -0.024 | -0.014 | 35.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 30 | LYS | 1 | 0.881 | 0.951 | 32.767 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 31 | PRO | 0 | 0.004 | 0.007 | 30.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 32 | THR | 0 | -0.050 | -0.013 | 28.585 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 33 | TRP | 0 | 0.060 | 0.016 | 23.100 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 34 | PHE | 0 | -0.018 | 0.001 | 23.442 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 35 | VAL | 0 | 0.006 | -0.008 | 17.925 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 36 | ARG | 1 | 0.883 | 0.953 | 15.539 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 37 | LEU | 0 | -0.012 | 0.002 | 13.395 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 38 | ASP | -1 | -0.819 | -0.922 | 11.271 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 39 | ILE | 0 | 0.007 | -0.021 | 7.754 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 40 | ASP | -1 | -0.827 | -0.904 | 8.146 | -0.666 | -0.666 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 41 | GLY | 0 | -0.038 | -0.015 | 9.856 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 42 | HIS | 0 | 0.000 | 0.019 | 12.509 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 43 | GLY | 0 | 0.061 | 0.006 | 13.361 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 44 | GLY | 0 | -0.033 | -0.001 | 15.652 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 45 | GLN | 0 | -0.079 | -0.068 | 17.863 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 46 | GLY | 0 | 0.042 | 0.018 | 20.632 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 47 | GLU | -1 | -0.797 | -0.887 | 22.583 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 48 | VAL | 0 | -0.011 | 0.009 | 22.972 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 49 | SER | 0 | -0.006 | -0.014 | 25.861 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 50 | LEU | 0 | 0.019 | 0.011 | 28.390 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 51 | ILE | 0 | 0.020 | 0.003 | 31.647 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 52 | PRO | 0 | 0.021 | 0.005 | 34.850 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 53 | GLY | 0 | -0.015 | -0.014 | 36.361 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 54 | LEU | 0 | -0.039 | -0.009 | 36.947 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 55 | SER | 0 | -0.001 | -0.011 | 31.780 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 56 | LEU | 0 | 0.010 | 0.008 | 30.973 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 57 | ASP | -1 | -0.791 | -0.897 | 26.971 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 58 | PRO | 0 | -0.022 | 0.003 | 27.661 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 59 | GLU | -1 | -0.824 | -0.928 | 28.012 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 60 | GLU | -1 | -0.933 | -0.974 | 27.981 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 61 | GLN | 0 | -0.063 | -0.041 | 24.782 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 62 | ILE | 0 | 0.028 | 0.032 | 23.270 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 63 | GLY | 0 | -0.003 | 0.001 | 21.790 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 64 | ARG | 1 | 0.997 | 0.992 | 19.045 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 65 | GLU | -1 | -0.904 | -0.954 | 18.719 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 66 | LEU | 0 | -0.006 | 0.002 | 17.487 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 67 | ASP | -1 | -0.860 | -0.903 | 15.674 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 68 | LEU | 0 | -0.112 | -0.067 | 14.185 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 69 | LEU | 0 | 0.018 | 0.025 | 12.718 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 70 | ALA | 0 | 0.046 | 0.022 | 11.489 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 71 | ARG | 1 | 0.866 | 0.927 | 9.543 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 72 | ARG | 1 | 0.960 | 0.987 | 8.280 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 73 | LEU | 0 | 0.034 | 0.010 | 7.225 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 74 | ARG | 1 | 0.955 | 0.990 | 5.022 | -0.556 | -0.556 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 75 | ALA | 0 | -0.076 | -0.048 | 3.403 | -0.969 | -0.407 | 0.029 | -0.273 | -0.318 | -0.002 |
67 | A | 76 | GLU | -1 | -0.966 | -0.964 | 3.296 | -3.538 | -2.503 | 0.023 | -0.555 | -0.503 | -0.004 |
68 | A | 77 | GLU | -1 | -0.874 | -0.940 | 3.973 | 0.914 | 1.534 | 0.011 | -0.184 | -0.447 | 0.000 |
69 | A | 78 | PRO | 0 | 0.006 | 0.023 | 4.507 | -0.523 | -0.331 | 0.000 | -0.044 | -0.149 | 0.000 |
70 | A | 79 | ILE | 0 | -0.020 | -0.027 | 7.747 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 80 | ARG | 1 | 0.988 | 0.996 | 9.849 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 81 | LEU | 0 | 0.001 | 0.005 | 11.115 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 82 | ARG | 1 | 0.883 | 0.920 | 5.125 | 1.157 | 1.157 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 83 | GLN | 0 | -0.041 | -0.002 | 12.283 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 84 | PHE | 0 | 0.032 | 0.011 | 15.167 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 85 | LEU | 0 | -0.016 | -0.018 | 13.118 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 86 | ALA | 0 | -0.028 | -0.005 | 16.318 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 87 | GLU | -1 | -0.962 | -0.993 | 17.955 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 88 | ARG | 1 | 0.809 | 0.886 | 20.306 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 89 | GLY | 0 | 0.016 | 0.020 | 21.117 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 90 | GLY | 0 | -0.050 | -0.014 | 21.835 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 91 | ALA | 0 | 0.028 | -0.001 | 25.539 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 92 | ASP | -1 | -0.909 | -0.941 | 27.105 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 93 | PHE | 0 | -0.093 | -0.058 | 28.775 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 94 | SER | 0 | -0.018 | -0.011 | 26.779 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 95 | ASP | -1 | -0.876 | -0.913 | 28.863 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 96 | TYR | 0 | 0.102 | 0.020 | 26.469 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 97 | ARG | 1 | 0.931 | 0.974 | 28.166 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 98 | SER | 0 | 0.009 | 0.014 | 26.298 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 99 | VAL | 0 | 0.041 | 0.024 | 23.062 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 100 | LEU | 0 | -0.024 | -0.019 | 23.463 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 101 | THR | 0 | -0.014 | -0.007 | 24.230 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 102 | ASP | -1 | -0.849 | -0.912 | 20.552 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 103 | ILE | 0 | -0.031 | -0.012 | 19.574 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 104 | ALA | 0 | -0.008 | -0.004 | 19.547 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 105 | GLY | 0 | 0.022 | 0.005 | 19.797 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 106 | ILE | 0 | -0.023 | -0.008 | 14.182 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 107 | LEU | 0 | 0.019 | 0.021 | 15.584 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 108 | ASP | -1 | -0.848 | -0.912 | 17.614 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 109 | SER | 0 | -0.134 | -0.076 | 13.958 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 110 | TRP | 0 | 0.005 | -0.012 | 10.940 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 111 | GLN | 0 | -0.072 | -0.047 | 14.124 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 112 | VAL | 0 | 0.023 | 0.016 | 16.611 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 113 | SER | 0 | -0.006 | 0.000 | 19.010 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 114 | THR | 0 | 0.006 | 0.013 | 19.814 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 115 | ASP | -1 | -0.867 | -0.941 | 22.775 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 116 | GLY | 0 | -0.031 | -0.022 | 25.616 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 117 | ARG | 1 | 0.886 | 0.949 | 26.353 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 118 | PHE | 0 | -0.025 | -0.007 | 23.768 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 119 | PRO | 0 | 0.054 | 0.014 | 24.879 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 120 | ALA | 0 | 0.061 | 0.022 | 26.615 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 121 | LEU | 0 | -0.025 | -0.009 | 19.900 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 122 | ARG | 1 | 0.834 | 0.910 | 21.448 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 123 | PHE | 0 | 0.017 | 0.012 | 22.796 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 124 | ALA | 0 | 0.005 | 0.002 | 22.484 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 125 | LEU | 0 | 0.024 | -0.007 | 16.791 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 126 | GLU | -1 | -0.766 | -0.869 | 19.719 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 127 | MET | 0 | -0.052 | -0.010 | 22.078 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 128 | ALA | 0 | 0.020 | 0.006 | 17.922 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 129 | LEU | 0 | -0.004 | -0.012 | 15.408 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 130 | LEU | 0 | -0.028 | -0.009 | 18.665 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 131 | ASP | -1 | -0.788 | -0.878 | 20.627 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 132 | LEU | 0 | -0.022 | -0.005 | 13.585 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 133 | LEU | 0 | -0.070 | -0.028 | 17.880 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 134 | SER | 0 | -0.024 | -0.017 | 19.387 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 135 | GLY | 0 | 0.016 | 0.002 | 19.870 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 136 | GLY | 0 | 0.001 | 0.016 | 19.848 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 137 | ARG | 1 | 0.728 | 0.849 | 20.658 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 138 | GLN | 0 | -0.038 | -0.014 | 23.730 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 139 | GLU | -1 | -0.859 | -0.915 | 25.095 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 140 | TRP | 0 | -0.022 | 0.002 | 23.475 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 141 | PHE | 0 | 0.005 | -0.015 | 26.161 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 142 | ALA | 0 | 0.025 | 0.022 | 29.011 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 143 | SER | 0 | -0.032 | -0.033 | 30.606 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 144 | ASP | -1 | -0.793 | -0.908 | 34.365 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 145 | PHE | 0 | -0.079 | -0.022 | 34.583 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 146 | THR | 0 | 0.025 | 0.009 | 31.130 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 147 | ARG | 1 | 0.870 | 0.945 | 33.339 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 148 | GLY | 0 | -0.009 | -0.007 | 36.101 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 149 | GLU | -1 | -0.917 | -0.963 | 38.901 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 150 | LYS | 1 | 0.883 | 0.941 | 40.264 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 151 | ARG | 1 | 0.865 | 0.943 | 40.560 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 152 | ILE | 0 | -0.015 | -0.003 | 37.835 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 153 | PRO | 0 | 0.025 | 0.046 | 42.398 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 154 | VAL | 0 | -0.011 | -0.012 | 42.223 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 155 | ASN | 0 | -0.008 | 0.003 | 45.298 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 156 | GLY | 0 | 0.036 | 0.017 | 46.450 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 157 | LEU | 0 | -0.065 | -0.041 | 45.359 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 158 | ILE | 0 | 0.031 | 0.022 | 49.477 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 159 | TRP | 0 | -0.017 | -0.015 | 47.270 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 160 | MET | 0 | 0.016 | 0.007 | 53.778 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 161 | GLY | 0 | -0.002 | -0.012 | 56.790 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 162 | GLU | -1 | -0.897 | -0.961 | 59.314 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 163 | ALA | 0 | 0.035 | 0.013 | 62.230 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 164 | ALA | 0 | 0.032 | 0.017 | 63.873 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 165 | PHE | 0 | 0.018 | 0.017 | 56.532 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 166 | MET | 0 | -0.064 | -0.011 | 58.400 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 167 | GLN | 0 | -0.022 | 0.004 | 59.481 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 168 | GLU | -1 | -0.865 | -0.931 | 59.453 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 169 | GLN | 0 | -0.073 | -0.050 | 54.715 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 170 | ILE | 0 | -0.031 | -0.012 | 56.050 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 171 | GLU | -1 | -0.879 | -0.943 | 57.540 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 172 | ALA | 0 | -0.013 | -0.001 | 55.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 173 | LYS | 1 | 0.905 | 0.946 | 49.375 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 174 | LEU | 0 | -0.015 | -0.001 | 53.897 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 175 | ALA | 0 | -0.028 | 0.001 | 56.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 176 | GLU | -1 | -0.983 | -0.998 | 50.521 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 177 | GLY | 0 | -0.043 | -0.019 | 51.592 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 178 | TYR | 0 | -0.071 | -0.023 | 46.959 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 179 | GLY | 0 | 0.074 | 0.038 | 52.038 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 180 | CYS | 0 | -0.092 | -0.052 | 50.484 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 181 | LEU | 0 | -0.006 | -0.001 | 50.928 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 182 | LYS | 1 | 0.878 | 0.940 | 45.175 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 183 | LEU | 0 | 0.007 | -0.005 | 50.626 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 184 | LYS | 1 | 0.938 | 0.982 | 48.629 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 185 | ILE | 0 | -0.033 | -0.011 | 51.522 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 186 | GLY | 0 | 0.045 | 0.010 | 52.826 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 187 | ALA | 0 | -0.046 | -0.041 | 54.998 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 188 | ILE | 0 | 0.000 | -0.010 | 57.062 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 189 | ASP | -1 | -0.920 | -0.946 | 57.794 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 190 | PHE | 0 | 0.087 | 0.015 | 59.114 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 191 | ASP | -1 | -0.906 | -0.946 | 61.326 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 192 | LYS | 1 | 0.846 | 0.934 | 62.599 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 193 | GLU | -1 | -0.763 | -0.898 | 57.272 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 194 | CYS | 0 | -0.023 | -0.012 | 61.357 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 195 | ALA | 0 | 0.010 | 0.013 | 63.413 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 196 | LEU | 0 | 0.029 | 0.006 | 61.013 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 197 | LEU | 0 | -0.025 | -0.005 | 58.438 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 198 | ALA | 0 | -0.021 | -0.027 | 62.498 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 199 | GLY | 0 | 0.024 | 0.015 | 66.033 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 200 | ILE | 0 | -0.023 | -0.013 | 59.426 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 201 | ARG | 1 | 0.728 | 0.844 | 59.248 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 202 | GLU | -1 | -1.001 | -0.972 | 64.897 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 203 | SER | 0 | -0.030 | -0.012 | 65.477 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 204 | PHE | 0 | -0.004 | 0.003 | 61.568 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 205 | SER | 0 | 0.023 | 0.011 | 63.311 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 206 | PRO | 0 | 0.015 | -0.017 | 60.522 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 207 | GLN | 0 | -0.071 | -0.032 | 59.502 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 208 | GLN | 0 | -0.006 | 0.002 | 59.683 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 209 | LEU | 0 | 0.023 | 0.023 | 55.761 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 210 | GLU | -1 | -0.833 | -0.907 | 52.523 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 211 | ILE | 0 | 0.028 | 0.004 | 54.540 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 212 | ARG | 1 | 0.887 | 0.962 | 46.445 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 213 | VAL | 0 | -0.003 | -0.005 | 52.341 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 214 | ASP | -1 | -0.797 | -0.918 | 46.754 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 215 | ALA | 0 | -0.003 | 0.001 | 50.033 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 216 | ASN | 0 | -0.013 | 0.004 | 45.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 217 | GLY | 0 | -0.029 | -0.022 | 47.671 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 218 | ALA | 0 | -0.050 | -0.013 | 48.980 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 219 | PHE | 0 | -0.050 | -0.028 | 52.026 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 220 | SER | 0 | 0.012 | 0.001 | 53.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 221 | PRO | 0 | 0.079 | 0.011 | 53.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 222 | ALA | 0 | -0.014 | 0.006 | 55.994 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 223 | ASN | 0 | 0.006 | -0.007 | 58.113 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 224 | ALA | 0 | 0.066 | 0.042 | 55.867 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 225 | PRO | 0 | 0.047 | 0.028 | 57.927 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 226 | GLN | 0 | -0.011 | -0.018 | 60.198 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 227 | ARG | 1 | 0.890 | 0.960 | 57.844 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 228 | LEU | 0 | 0.060 | 0.033 | 55.269 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 229 | LYS | 1 | 0.927 | 0.977 | 59.393 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 230 | ARG | 1 | 0.930 | 0.994 | 62.879 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 231 | LEU | 0 | 0.047 | 0.011 | 57.215 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 232 | SER | 0 | -0.056 | -0.048 | 60.493 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 233 | GLN | 0 | -0.051 | -0.027 | 61.410 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 234 | PHE | 0 | 0.011 | 0.017 | 61.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 235 | HIS | 0 | -0.035 | -0.008 | 61.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 236 | LEU | 0 | 0.020 | 0.016 | 56.318 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 237 | HIS | 0 | -0.021 | -0.008 | 49.907 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 238 | SER | 0 | 0.005 | -0.016 | 50.577 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 239 | ILE | 0 | -0.047 | -0.017 | 52.160 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 240 | GLU | -1 | -0.902 | -0.963 | 44.625 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 241 | GLN | 0 | 0.006 | -0.001 | 44.749 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 242 | PRO | 0 | 0.027 | 0.012 | 47.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 243 | ILE | 0 | -0.023 | -0.008 | 49.838 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 244 | ARG | 1 | 0.980 | 0.977 | 46.887 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 245 | GLN | 0 | 0.081 | 0.065 | 41.159 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 246 | HIS | 0 | -0.042 | -0.033 | 39.732 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 247 | GLN | 0 | -0.076 | -0.039 | 44.763 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 248 | TRP | 0 | 0.045 | 0.020 | 41.466 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 249 | SER | 0 | 0.021 | 0.005 | 48.149 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 250 | GLU | -1 | -0.882 | -0.947 | 51.699 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 251 | MET | 0 | 0.016 | 0.010 | 47.805 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 252 | ALA | 0 | 0.053 | 0.031 | 50.825 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 253 | ALA | 0 | -0.029 | -0.003 | 52.123 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 254 | LEU | 0 | -0.066 | -0.035 | 52.971 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 255 | CYS | 0 | -0.025 | -0.010 | 51.107 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 256 | ALA | 0 | -0.016 | 0.011 | 53.884 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 257 | ASN | 0 | -0.086 | -0.053 | 56.599 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 258 | SER | 0 | -0.055 | -0.028 | 56.522 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 259 | PRO | 0 | -0.040 | -0.013 | 58.299 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 260 | LEU | 0 | -0.021 | 0.001 | 55.501 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 261 | ALA | 0 | 0.015 | 0.016 | 52.647 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 262 | ILE | 0 | 0.025 | -0.009 | 49.346 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 263 | ALA | 0 | -0.017 | -0.005 | 46.487 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 264 | LEU | 0 | -0.022 | -0.015 | 43.911 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 265 | ASP | -1 | -0.790 | -0.904 | 40.511 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 266 | GLU | -1 | -0.841 | -0.952 | 40.138 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 267 | GLU | -1 | -0.882 | -0.948 | 40.029 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 268 | LEU | 0 | -0.022 | -0.014 | 37.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 269 | ILE | 0 | 0.016 | 0.005 | 34.559 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 270 | GLY | 0 | -0.025 | -0.008 | 33.304 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 271 | LEU | 0 | -0.053 | -0.003 | 34.141 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 272 | GLY | 0 | 0.046 | 0.006 | 32.319 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 273 | ALA | 0 | -0.016 | -0.009 | 31.893 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 274 | GLU | -1 | -0.849 | -0.939 | 33.446 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 275 | GLN | 0 | -0.010 | 0.001 | 35.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 276 | ARG | 1 | 0.868 | 0.927 | 32.244 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 277 | SER | 0 | 0.045 | 0.017 | 38.167 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 278 | ALA | 0 | -0.008 | 0.009 | 40.596 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 279 | MET | 0 | 0.009 | 0.021 | 40.962 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 280 | LEU | 0 | 0.000 | -0.013 | 40.765 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 281 | ASP | -1 | -0.904 | -0.938 | 44.298 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 282 | ALA | 0 | -0.075 | -0.033 | 46.154 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 283 | ILE | 0 | -0.057 | -0.040 | 45.754 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 284 | ARG | 1 | 0.938 | 0.983 | 47.970 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 285 | PRO | 0 | 0.022 | 0.006 | 45.599 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 286 | GLN | 0 | -0.003 | 0.007 | 48.834 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 287 | TYR | 0 | -0.017 | -0.015 | 46.394 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 288 | ILE | 0 | 0.008 | 0.014 | 39.948 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 289 | ILE | 0 | 0.021 | 0.007 | 40.740 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 290 | LEU | 0 | -0.027 | -0.014 | 36.339 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 291 | LYS | 1 | 0.939 | 0.981 | 35.989 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 292 | PRO | 0 | 0.040 | -0.002 | 31.068 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 293 | SER | 0 | -0.040 | -0.021 | 29.770 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 294 | LEU | 0 | -0.026 | -0.014 | 30.328 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 295 | LEU | 0 | -0.028 | -0.011 | 31.967 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 296 | GLY | 0 | -0.010 | 0.009 | 27.653 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 297 | GLY | 0 | -0.038 | -0.023 | 26.632 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 298 | PHE | 0 | 0.002 | -0.024 | 27.318 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 299 | HIS | 0 | 0.009 | 0.020 | 26.277 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 300 | TYR | 0 | -0.005 | -0.007 | 25.599 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 301 | ALA | 0 | 0.003 | 0.006 | 30.294 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 302 | GLY | 0 | 0.003 | -0.002 | 31.946 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 303 | GLN | 0 | 0.003 | 0.004 | 29.581 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 304 | TRP | 0 | 0.053 | 0.018 | 33.859 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 305 | ILE | 0 | -0.028 | -0.001 | 36.389 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 306 | GLU | -1 | -0.854 | -0.926 | 36.091 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 307 | LEU | 0 | -0.007 | 0.013 | 36.642 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 308 | ALA | 0 | 0.008 | 0.002 | 39.803 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 309 | ARG | 1 | 0.875 | 0.928 | 39.217 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 310 | GLU | -1 | -0.949 | -0.974 | 39.531 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 311 | ARG | 1 | 0.767 | 0.875 | 41.510 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 312 | GLY | 0 | -0.043 | -0.009 | 46.388 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 313 | ILE | 0 | -0.066 | -0.013 | 44.724 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 314 | GLY | 0 | 0.015 | 0.003 | 45.299 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 315 | PHE | 0 | -0.020 | -0.037 | 40.717 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 316 | TRP | 0 | -0.024 | -0.009 | 42.403 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 317 | ILE | 0 | 0.027 | 0.024 | 36.351 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 318 | THR | 0 | -0.026 | -0.017 | 38.560 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 319 | SER | 0 | -0.047 | -0.003 | 36.373 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 320 | ALA | 0 | -0.012 | -0.031 | 34.901 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 321 | LEU | 0 | 0.004 | -0.003 | 35.515 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 322 | GLU | -1 | -0.774 | -0.842 | 31.333 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 323 | SER | 0 | -0.050 | -0.058 | 29.921 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 324 | ASN | 0 | -0.035 | -0.065 | 32.410 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 325 | LEU | 0 | -0.034 | 0.010 | 24.522 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 326 | GLY | 0 | 0.073 | 0.020 | 29.036 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 327 | LEU | 0 | -0.032 | -0.005 | 29.884 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 328 | ALA | 0 | 0.010 | 0.008 | 30.294 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 329 | ALA | 0 | 0.023 | 0.019 | 27.843 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 330 | ILE | 0 | 0.015 | -0.005 | 29.733 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 331 | ALA | 0 | -0.016 | 0.014 | 32.642 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 332 | GLN | 0 | -0.005 | -0.015 | 29.319 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 333 | TRP | 0 | 0.033 | 0.020 | 31.095 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 334 | THR | 0 | -0.024 | -0.042 | 32.764 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 335 | ALA | 0 | -0.007 | -0.003 | 35.856 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 336 | LEU | 0 | -0.051 | -0.011 | 31.507 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 337 | TYR | 0 | -0.085 | -0.048 | 34.804 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 338 | GLN | 0 | -0.059 | -0.026 | 39.088 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 339 | PRO | 0 | -0.006 | 0.014 | 40.571 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 340 | THR | 0 | 0.026 | 0.002 | 43.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 341 | MET | 0 | -0.014 | 0.010 | 46.161 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 342 | PRO | 0 | 0.030 | 0.005 | 45.776 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 343 | GLN | 0 | 0.021 | -0.002 | 41.231 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 344 | GLY | 0 | 0.040 | 0.020 | 42.157 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 345 | LEU | 0 | -0.043 | -0.035 | 36.943 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 346 | GLY | 0 | 0.062 | 0.026 | 39.323 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 347 | THR | 0 | -0.026 | -0.017 | 39.114 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 348 | GLY | 0 | 0.073 | 0.034 | 39.890 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 349 | GLN | 0 | -0.068 | -0.037 | 40.535 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 350 | LEU | 0 | 0.030 | 0.028 | 39.728 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 351 | TYR | 0 | -0.032 | -0.041 | 36.179 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 352 | THR | 0 | -0.085 | -0.057 | 38.632 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 353 | ASN | 0 | -0.007 | 0.000 | 33.480 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 354 | ASN | 0 | 0.094 | 0.071 | 33.455 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 355 | LEU | 0 | 0.024 | 0.012 | 27.604 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 356 | PRO | 0 | -0.020 | -0.004 | 31.219 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 357 | SER | 0 | -0.011 | -0.003 | 32.029 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 358 | ASN | 0 | 0.019 | -0.002 | 32.822 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 359 | LEU | 0 | 0.000 | 0.016 | 34.215 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 360 | ALA | 0 | 0.002 | -0.004 | 37.412 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 361 | VAL | 0 | 0.000 | -0.009 | 41.208 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 362 | ASP | -1 | -0.880 | -0.941 | 44.113 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 363 | GLY | 0 | 0.036 | 0.014 | 47.524 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 364 | GLY | 0 | 0.002 | 0.019 | 48.163 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 365 | LEU | 0 | -0.022 | -0.019 | 45.304 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 366 | LEU | 0 | -0.016 | -0.009 | 37.994 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 367 | GLY | 0 | 0.024 | 0.004 | 39.669 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 368 | VAL | 0 | 0.001 | 0.018 | 34.803 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |