![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 8NJMY
Calculation Name: 1WLY-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1WLY
Chain ID: A
UniProt ID: Q59I44
Base Structure: X-ray
Registration Date: 2023-09-26
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptHSide |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 322 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4570380.265645 |
---|---|
FMO2-HF: Nuclear repulsion | 4447925.043101 |
FMO2-HF: Total energy | -122455.222544 |
FMO2-MP2: Total energy | -122809.952596 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F039368/ligand_interaction/ligand_F039368.png)
Ligand Interaction
![ligand interaction](./Kdata/F039368/ligand_interaction/ligand_interaction_F039368.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:2:VAL)
Summations of interaction energy for
fragment #1(A:2:VAL)
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. |
-13.135 | -2.216 | 7.931 | -5.907 | -12.937 | -0.031 |
Interaction energy analysis for fragmet #1(A:2:VAL)
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 | 4 | ALA | 0 | 0.011 | -0.004 | 3.055 | -1.393 | 0.777 | 0.166 | -1.053 | -1.284 | -0.001 |
4 | A | 5 | ALA | 0 | -0.030 | 0.000 | 5.141 | 0.089 | 0.101 | -0.001 | -0.002 | -0.008 | 0.000 |
5 | A | 6 | VAL | 0 | -0.012 | -0.006 | 7.750 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 7 | ILE | 0 | -0.045 | -0.004 | 10.156 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 8 | HIS | 0 | 0.025 | -0.024 | 11.893 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 9 | LYS | 1 | 0.924 | 0.966 | 15.611 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 10 | LYS | 1 | 0.902 | 0.959 | 18.842 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 11 | GLY | 0 | 0.067 | 0.030 | 19.864 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 12 | GLY | 0 | 0.026 | 0.024 | 20.839 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 13 | PRO | 0 | 0.021 | -0.014 | 18.894 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 14 | ASP | -1 | -0.828 | -0.902 | 17.848 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 15 | ASN | 0 | -0.043 | -0.012 | 17.843 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 16 | PHE | 0 | -0.021 | -0.023 | 12.350 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 17 | VAL | 0 | 0.009 | 0.015 | 11.759 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 18 | TRP | 0 | -0.017 | -0.008 | 6.643 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 19 | GLU | -1 | -0.825 | -0.913 | 7.703 | -0.355 | -0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 20 | GLU | -1 | -0.794 | -0.900 | 2.664 | -5.359 | -3.481 | 0.360 | -0.870 | -1.367 | -0.005 |
20 | A | 21 | VAL | 0 | -0.049 | -0.024 | 2.721 | -0.250 | 1.016 | 0.496 | -0.496 | -1.265 | 0.000 |
21 | A | 22 | LYS | 1 | 0.822 | 0.883 | 2.673 | -1.026 | 0.245 | 0.579 | -0.787 | -1.063 | -0.010 |
22 | A | 23 | VAL | 0 | -0.013 | 0.003 | 2.333 | -0.450 | 0.260 | 1.379 | -0.469 | -1.620 | -0.002 |
23 | A | 24 | GLY | 0 | 0.012 | 0.015 | 4.796 | -0.110 | -0.007 | -0.001 | -0.004 | -0.097 | 0.000 |
24 | A | 25 | SER | 0 | -0.014 | -0.034 | 7.119 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 26 | PRO | 0 | -0.044 | -0.018 | 9.504 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 27 | GLY | 0 | 0.050 | 0.030 | 11.738 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 28 | PRO | 0 | -0.025 | -0.050 | 15.212 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 29 | GLY | 0 | 0.050 | 0.050 | 18.010 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 30 | GLN | 0 | -0.057 | -0.025 | 13.029 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 31 | VAL | 0 | 0.014 | 0.000 | 11.735 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 32 | ARG | 1 | 0.813 | 0.875 | 4.568 | 0.709 | 0.788 | -0.001 | -0.004 | -0.073 | 0.000 |
32 | A | 33 | LEU | 0 | -0.063 | -0.029 | 7.714 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 34 | ARG | 1 | 0.928 | 0.956 | 5.947 | -0.434 | -0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 35 | ASN | 0 | -0.054 | -0.052 | 6.233 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 36 | THR | 0 | -0.028 | -0.021 | 8.039 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 37 | ALA | 0 | -0.038 | -0.017 | 10.785 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 38 | ILE | 0 | -0.036 | -0.017 | 8.233 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 39 | GLY | 0 | 0.022 | 0.035 | 12.833 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 40 | VAL | 0 | -0.048 | -0.028 | 15.732 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 41 | ASN | 0 | -0.050 | -0.057 | 17.519 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 42 | PHE | 0 | 0.084 | 0.016 | 19.950 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 43 | LEU | 0 | 0.030 | 0.024 | 20.858 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 44 | ASP | -1 | -0.761 | -0.857 | 16.394 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 45 | THR | 0 | -0.091 | -0.064 | 18.088 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 46 | TYR | 0 | 0.044 | 0.021 | 20.413 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 47 | HIS | 0 | 0.005 | 0.017 | 17.443 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 48 | ARG | 1 | 0.819 | 0.901 | 16.037 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 49 | ALA | 0 | -0.058 | -0.017 | 17.967 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 60 | PRO | 0 | -0.080 | -0.027 | 15.562 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 61 | PRO | 0 | 0.091 | 0.030 | 11.738 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 62 | ILE | 0 | -0.051 | -0.024 | 12.194 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 63 | VAL | 0 | 0.038 | 0.039 | 6.847 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 64 | VAL | 0 | -0.028 | -0.021 | 10.106 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 65 | GLY | 0 | 0.093 | 0.045 | 11.336 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 66 | PHE | 0 | -0.030 | -0.047 | 13.163 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 67 | GLU | -1 | -0.799 | -0.863 | 14.793 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 68 | ALA | 0 | 0.004 | 0.002 | 11.446 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 69 | ALA | 0 | 0.041 | 0.040 | 13.268 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 70 | ALA | 0 | 0.001 | -0.013 | 10.295 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 71 | VAL | 0 | -0.015 | -0.004 | 10.595 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 72 | VAL | 0 | 0.006 | 0.009 | 10.611 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 73 | GLU | -1 | -0.786 | -0.878 | 7.137 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 74 | GLU | -1 | -0.812 | -0.873 | 8.958 | -0.637 | -0.637 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 75 | VAL | 0 | 0.010 | -0.002 | 11.425 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 76 | GLY | 0 | 0.034 | 0.031 | 14.250 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 77 | PRO | 0 | -0.017 | -0.030 | 15.419 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 78 | GLY | 0 | 0.035 | 0.011 | 19.074 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 79 | VAL | 0 | -0.086 | -0.020 | 16.867 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 80 | THR | 0 | 0.051 | 0.016 | 19.846 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 81 | ASP | -1 | -0.933 | -0.953 | 21.490 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 82 | PHE | 0 | -0.031 | -0.022 | 17.101 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 83 | THR | 0 | -0.008 | 0.002 | 18.290 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 84 | VAL | 0 | -0.004 | -0.019 | 13.111 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 85 | GLY | 0 | 0.024 | 0.016 | 14.089 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 86 | GLU | -1 | -0.868 | -0.914 | 15.399 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 87 | ARG | 1 | 0.833 | 0.902 | 15.360 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 88 | VAL | 0 | -0.004 | -0.010 | 13.906 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 89 | CYS | 0 | -0.033 | -0.027 | 15.146 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 90 | THR | 0 | -0.003 | 0.014 | 12.690 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 91 | CYS | 0 | -0.004 | -0.014 | 15.678 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 92 | LEU | 0 | 0.002 | 0.006 | 17.197 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 93 | PRO | 0 | -0.005 | 0.013 | 16.331 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 94 | PRO | 0 | 0.055 | 0.021 | 13.477 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 95 | LEU | 0 | 0.015 | 0.011 | 13.675 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 96 | GLY | 0 | 0.024 | 0.007 | 9.547 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 97 | ALA | 0 | -0.046 | -0.017 | 8.122 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 98 | TYR | 0 | -0.049 | -0.029 | 8.954 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 99 | SER | 0 | 0.045 | -0.018 | 3.854 | -0.218 | -0.087 | 0.001 | -0.037 | -0.095 | 0.000 |
89 | A | 100 | GLN | 0 | -0.032 | -0.029 | 2.273 | -0.446 | 1.101 | 1.133 | -0.811 | -1.868 | -0.001 |
90 | A | 101 | GLU | -1 | -0.853 | -0.913 | 2.292 | -2.764 | -1.736 | 3.599 | -1.160 | -3.467 | -0.006 |
91 | A | 102 | ARG | 1 | 0.857 | 0.939 | 3.012 | -0.721 | -0.042 | 0.222 | -0.214 | -0.687 | -0.006 |
92 | A | 103 | LEU | 0 | 0.019 | 0.023 | 5.272 | 0.063 | 0.108 | -0.001 | 0.000 | -0.043 | 0.000 |
93 | A | 104 | TYR | 0 | -0.068 | -0.055 | 8.578 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 105 | PRO | 0 | 0.102 | 0.051 | 11.724 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 106 | ALA | 0 | 0.010 | -0.015 | 15.446 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 107 | GLU | -1 | -0.953 | -0.985 | 17.191 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 108 | LYS | 1 | 0.877 | 0.964 | 17.736 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 109 | LEU | 0 | -0.085 | -0.009 | 13.763 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 110 | ILE | 0 | 0.047 | 0.017 | 17.754 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 111 | LYS | 1 | 0.873 | 0.919 | 18.668 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 112 | VAL | 0 | -0.021 | -0.008 | 18.526 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 113 | PRO | 0 | -0.029 | 0.002 | 21.235 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 114 | LYS | 1 | 0.965 | 0.946 | 22.188 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 115 | ASP | -1 | -0.810 | -0.893 | 24.003 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 116 | LEU | 0 | -0.042 | 0.004 | 22.313 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 117 | ASP | -1 | -0.920 | -0.956 | 24.047 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 118 | LEU | 0 | 0.015 | 0.003 | 22.337 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 119 | ASP | -1 | -0.769 | -0.858 | 19.950 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 120 | ASP | -1 | -0.778 | -0.910 | 14.840 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 121 | VAL | 0 | -0.021 | -0.011 | 16.512 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 122 | HIS | 0 | -0.033 | -0.046 | 17.829 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 123 | LEU | 0 | 0.008 | 0.019 | 17.476 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 124 | ALA | 0 | -0.011 | -0.015 | 15.254 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 125 | GLY | 0 | -0.012 | -0.007 | 17.146 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 126 | LEU | 0 | 0.018 | 0.006 | 20.010 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 127 | MET | 0 | 0.016 | 0.038 | 18.448 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 128 | LEU | 0 | 0.037 | 0.022 | 20.686 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 129 | LYS | 1 | 0.881 | 0.938 | 22.291 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 130 | GLY | 0 | 0.048 | 0.017 | 24.696 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 131 | MET | 0 | 0.030 | 0.004 | 22.947 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 132 | THR | 0 | -0.051 | -0.043 | 25.664 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 133 | ALA | 0 | 0.017 | 0.000 | 27.908 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 134 | GLN | 0 | -0.013 | -0.003 | 29.083 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 135 | TYR | 0 | 0.069 | 0.048 | 28.158 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 136 | LEU | 0 | -0.034 | -0.008 | 31.745 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 137 | LEU | 0 | -0.002 | 0.001 | 33.897 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 138 | HIS | 1 | 0.792 | 0.887 | 33.506 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 139 | GLN | 0 | 0.014 | 0.018 | 33.400 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 140 | THR | 0 | -0.057 | -0.027 | 34.882 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 141 | HIS | 0 | 0.008 | -0.011 | 36.910 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 142 | LYS | 1 | 0.921 | 0.975 | 38.909 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 143 | VAL | 0 | -0.031 | -0.017 | 39.189 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 144 | LYS | 1 | 0.785 | 0.878 | 41.291 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 145 | PRO | 0 | 0.028 | -0.001 | 44.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 146 | GLY | 0 | -0.022 | 0.000 | 46.683 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 147 | ASP | -1 | -0.762 | -0.830 | 44.604 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 148 | TYR | 0 | 0.000 | -0.001 | 46.662 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 149 | VAL | 0 | 0.003 | -0.010 | 40.114 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 150 | LEU | 0 | 0.012 | 0.014 | 42.882 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 151 | ILE | 0 | -0.007 | -0.015 | 36.612 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 152 | HIS | 0 | 0.055 | 0.026 | 38.289 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 153 | ALA | 0 | -0.045 | -0.015 | 35.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 154 | ALA | 0 | 0.005 | -0.007 | 35.403 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 155 | ALA | 0 | 0.024 | 0.025 | 36.015 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 156 | GLY | 0 | -0.002 | -0.004 | 32.546 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 157 | GLY | 0 | 0.008 | 0.005 | 28.399 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 158 | MET | 0 | 0.027 | 0.012 | 28.602 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 159 | GLY | 0 | 0.008 | 0.030 | 30.295 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 160 | HIS | 0 | -0.023 | -0.039 | 30.595 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 161 | ILE | 0 | -0.035 | 0.000 | 27.740 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 162 | MET | 0 | -0.001 | -0.011 | 31.429 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 163 | VAL | 0 | -0.005 | 0.006 | 34.144 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 164 | PRO | 0 | 0.041 | 0.031 | 34.066 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 165 | TRP | 0 | -0.002 | -0.005 | 30.058 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 166 | ALA | 0 | 0.031 | 0.006 | 35.849 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 167 | ARG | 1 | 0.891 | 0.948 | 38.726 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 168 | HIS | 0 | -0.009 | 0.000 | 37.837 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 169 | LEU | 0 | -0.066 | -0.029 | 36.458 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 170 | GLY | 0 | 0.019 | 0.008 | 40.635 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 171 | ALA | 0 | -0.006 | 0.008 | 42.489 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 172 | THR | 0 | -0.041 | -0.016 | 44.443 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 173 | VAL | 0 | -0.016 | -0.020 | 40.366 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 174 | ILE | 0 | 0.026 | 0.014 | 43.684 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 175 | GLY | 0 | 0.014 | 0.011 | 41.370 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 176 | THR | 0 | -0.024 | -0.030 | 41.017 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 177 | VAL | 0 | -0.069 | -0.041 | 39.438 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 178 | SER | 0 | 0.076 | 0.032 | 39.799 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 179 | THR | 0 | 0.008 | 0.000 | 40.889 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 180 | GLU | -1 | -0.762 | -0.882 | 43.021 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 181 | GLU | -1 | -0.915 | -0.947 | 39.957 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 182 | LYS | 1 | 0.861 | 0.923 | 36.374 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 183 | ALA | 0 | 0.066 | 0.041 | 40.068 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 184 | GLU | -1 | -0.717 | -0.819 | 42.658 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 185 | THR | 0 | -0.085 | -0.037 | 36.017 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 186 | ALA | 0 | 0.030 | 0.003 | 38.842 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 187 | ARG | 1 | 0.876 | 0.900 | 39.815 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 188 | LYS | 1 | 0.843 | 0.907 | 39.713 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 189 | LEU | 0 | -0.019 | 0.005 | 34.424 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 190 | GLY | 0 | 0.008 | 0.007 | 38.177 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 191 | CYS | 0 | -0.070 | -0.019 | 40.281 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 192 | HIS | 0 | -0.006 | 0.010 | 42.746 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 193 | HIS | 0 | 0.028 | 0.011 | 45.780 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 194 | THR | 0 | -0.015 | -0.007 | 43.221 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 195 | ILE | 0 | -0.006 | 0.001 | 44.956 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 196 | ASN | 0 | 0.032 | 0.021 | 44.690 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 197 | TYR | 0 | -0.009 | -0.017 | 38.643 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 198 | SER | 0 | -0.069 | -0.054 | 44.313 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 199 | THR | 0 | -0.033 | -0.023 | 46.048 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 200 | GLN | 0 | 0.018 | 0.023 | 48.804 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 201 | ASP | -1 | -0.692 | -0.827 | 49.206 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 202 | PHE | 0 | -0.017 | -0.049 | 44.693 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 203 | ALA | 0 | -0.001 | 0.006 | 48.500 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 204 | GLU | -1 | -0.935 | -0.967 | 50.355 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 205 | VAL | 0 | 0.046 | 0.011 | 50.501 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 206 | VAL | 0 | -0.016 | -0.004 | 47.617 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 207 | ARG | 1 | 0.797 | 0.910 | 50.749 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 208 | GLU | -1 | -0.875 | -0.929 | 54.251 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 209 | ILE | 0 | -0.038 | -0.024 | 49.315 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 210 | THR | 0 | -0.070 | -0.052 | 50.812 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 211 | GLY | 0 | 0.017 | 0.024 | 53.717 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 212 | GLY | 0 | -0.042 | -0.050 | 56.392 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 213 | LYS | 1 | 0.879 | 0.947 | 54.553 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 214 | GLY | 0 | 0.027 | 0.019 | 51.366 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 215 | VAL | 0 | -0.041 | -0.033 | 45.671 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 216 | ASP | -1 | -0.848 | -0.939 | 45.828 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 217 | VAL | 0 | -0.003 | 0.005 | 40.299 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 218 | VAL | 0 | 0.001 | 0.008 | 41.389 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 219 | TYR | 0 | -0.012 | -0.022 | 36.282 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 220 | ASP | -1 | -0.764 | -0.858 | 37.825 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 221 | SER | 0 | -0.014 | -0.011 | 32.582 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 222 | ILE | 0 | 0.017 | 0.002 | 33.893 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 223 | GLY | 0 | 0.009 | 0.022 | 36.575 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 224 | LYS | 1 | 0.871 | 0.929 | 38.062 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 225 | ASP | -1 | -0.851 | -0.917 | 40.397 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 226 | THR | 0 | -0.037 | -0.040 | 40.451 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 227 | LEU | 0 | 0.029 | 0.019 | 40.407 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 228 | GLN | 0 | 0.065 | 0.028 | 42.883 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 229 | LYS | 1 | 0.898 | 0.949 | 46.309 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 230 | SER | 0 | -0.016 | -0.041 | 42.087 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 231 | LEU | 0 | -0.011 | 0.001 | 44.741 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 232 | ASP | -1 | -0.820 | -0.895 | 46.975 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 233 | CYS | 0 | -0.095 | -0.034 | 47.000 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 234 | LEU | 0 | -0.061 | -0.002 | 44.824 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 235 | ARG | 1 | 0.962 | 1.019 | 48.941 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 236 | PRO | 0 | 0.000 | -0.026 | 50.416 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 237 | ARG | 1 | 0.895 | 0.944 | 49.612 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 238 | GLY | 0 | 0.024 | 0.034 | 47.160 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 239 | MET | 0 | -0.007 | 0.004 | 40.869 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 240 | CYS | 0 | 0.015 | 0.012 | 41.995 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 241 | ALA | 0 | 0.018 | -0.002 | 36.487 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 242 | ALA | 0 | 0.054 | 0.018 | 37.100 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 243 | TYR | 0 | -0.004 | -0.017 | 30.531 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 244 | GLY | 0 | -0.039 | -0.020 | 31.216 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 245 | HIS | 0 | 0.013 | -0.007 | 31.392 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 246 | ALA | 0 | -0.002 | 0.005 | 32.336 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 247 | SER | 0 | -0.047 | -0.018 | 33.311 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 248 | GLY | 0 | 0.025 | 0.011 | 35.285 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 249 | VAL | 0 | -0.041 | -0.036 | 34.829 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 250 | ALA | 0 | 0.015 | 0.008 | 37.108 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 251 | ASP | -1 | -0.933 | -0.959 | 40.563 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 252 | PRO | 0 | -0.018 | -0.011 | 43.262 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 253 | ILE | 0 | 0.007 | 0.007 | 43.858 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 254 | ARG | 1 | 0.805 | 0.892 | 46.378 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 255 | VAL | 0 | 0.018 | -0.005 | 48.079 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 256 | VAL | 0 | 0.019 | 0.002 | 49.452 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 257 | GLU | -1 | -0.817 | -0.902 | 53.197 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 258 | ASP | -1 | -0.759 | -0.870 | 48.519 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 259 | LEU | 0 | 0.002 | -0.004 | 45.738 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 260 | GLY | 0 | 0.008 | 0.011 | 49.820 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 261 | VAL | 0 | 0.001 | -0.012 | 53.192 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 262 | ARG | 1 | 0.746 | 0.865 | 49.047 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 263 | GLY | 0 | 0.001 | 0.004 | 53.739 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 264 | SER | 0 | -0.102 | -0.059 | 51.990 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 265 | LEU | 0 | -0.018 | 0.011 | 47.473 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 266 | PHE | 0 | -0.002 | 0.005 | 43.865 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 267 | ILE | 0 | 0.002 | -0.004 | 40.805 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 268 | THR | 0 | 0.002 | 0.005 | 37.102 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 269 | ARG | 1 | 0.883 | 0.958 | 30.622 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 270 | PRO | 0 | -0.073 | -0.028 | 32.331 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 271 | ALA | 0 | 0.050 | 0.001 | 27.633 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 272 | LEU | 0 | 0.018 | -0.011 | 23.076 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 273 | TRP | 0 | 0.038 | 0.027 | 20.018 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 274 | HIS | 0 | 0.005 | -0.014 | 25.245 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 275 | TYR | 0 | -0.008 | 0.002 | 28.017 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 276 | MET | 0 | -0.014 | 0.012 | 21.033 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 277 | SER | 0 | -0.047 | -0.061 | 24.709 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 278 | ASN | 0 | 0.004 | 0.005 | 26.534 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 279 | ARG | 1 | 0.837 | 0.889 | 20.814 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 280 | SER | 0 | 0.046 | 0.029 | 26.153 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 281 | GLU | -1 | -0.799 | -0.868 | 28.292 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 282 | ILE | 0 | -0.017 | 0.007 | 22.254 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 283 | ASP | -1 | -0.820 | -0.907 | 24.533 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 284 | GLU | -1 | -0.960 | -0.964 | 26.782 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 285 | GLY | 0 | 0.026 | 0.003 | 28.298 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 286 | SER | 0 | -0.023 | -0.044 | 24.121 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 287 | LYS | 1 | 0.878 | 0.931 | 26.033 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 288 | CYS | 0 | -0.068 | -0.002 | 28.524 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 289 | LEU | 0 | 0.039 | 0.007 | 24.582 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 290 | PHE | 0 | -0.023 | -0.036 | 21.467 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 291 | ASP | -1 | -0.807 | -0.891 | 27.480 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 292 | ALA | 0 | -0.016 | -0.001 | 31.017 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 293 | VAL | 0 | -0.028 | -0.024 | 26.338 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 294 | LYS | 1 | 0.809 | 0.902 | 28.001 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 295 | ALA | 0 | -0.042 | -0.001 | 30.820 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 296 | GLY | 0 | -0.010 | 0.001 | 32.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 297 | VAL | 0 | -0.076 | -0.034 | 33.641 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 298 | LEU | 0 | -0.043 | -0.016 | 29.462 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 299 | HIS | 0 | 0.059 | 0.025 | 27.532 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 300 | SER | 0 | -0.050 | -0.027 | 22.752 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 301 | SER | 0 | -0.007 | -0.004 | 25.969 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 302 | VAL | 0 | 0.042 | 0.022 | 20.950 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 303 | ALA | 0 | -0.056 | -0.014 | 23.873 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 304 | LYS | 1 | 0.915 | 0.965 | 21.812 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 305 | THR | 0 | 0.045 | 0.028 | 17.455 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 306 | PHE | 0 | -0.039 | -0.028 | 16.582 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 307 | PRO | 0 | 0.037 | 0.028 | 13.073 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 308 | LEU | 0 | -0.009 | 0.020 | 6.850 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 309 | ARG | 1 | 0.890 | 0.915 | 10.455 | -0.594 | -0.594 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 310 | GLU | -1 | -0.897 | -0.935 | 11.480 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 311 | ALA | 0 | 0.041 | 0.018 | 12.502 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 312 | ALA | 0 | -0.004 | 0.000 | 14.555 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 313 | ALA | 0 | 0.044 | 0.014 | 17.528 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 314 | ALA | 0 | 0.022 | 0.023 | 16.968 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 315 | HIS | 0 | -0.007 | -0.017 | 16.507 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 316 | LYS | 1 | 0.827 | 0.902 | 20.132 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 317 | TYR | 0 | 0.028 | -0.002 | 22.328 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 318 | MET | 0 | -0.074 | -0.035 | 20.582 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 319 | GLY | 0 | -0.031 | -0.017 | 24.049 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 320 | GLY | 0 | 0.033 | 0.034 | 26.461 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 321 | ARG | 1 | 0.759 | 0.895 | 25.332 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 322 | GLN | 0 | 0.047 | 0.020 | 29.242 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 323 | THR | 0 | -0.027 | -0.015 | 27.798 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 324 | ILE | 0 | 0.033 | 0.015 | 28.448 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 325 | GLY | 0 | -0.013 | -0.002 | 26.412 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 326 | SER | 0 | -0.028 | -0.027 | 20.950 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 327 | ILE | 0 | 0.024 | 0.021 | 18.773 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 328 | VAL | 0 | -0.010 | -0.006 | 15.440 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 329 | LEU | 0 | -0.028 | -0.022 | 12.274 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 330 | LEU | 0 | 0.035 | 0.008 | 12.312 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 331 | PRO | 0 | 0.034 | 0.002 | 6.901 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 332 | GLN | 0 | 0.076 | 0.045 | 4.803 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 333 | ALA | 0 | -0.017 | 0.030 | 8.958 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |