![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: LNL19
Calculation Name: 4KK2-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4KK2
Chain ID: A
UniProt ID: Q7XYS8
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 | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 338 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -5536505.137865 |
---|---|
FMO2-HF: Nuclear repulsion | 5399328.361632 |
FMO2-HF: Total energy | -137176.776233 |
FMO2-MP2: Total energy | -137576.976166 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F032517/ligand_interaction/ligand_F032517.png)
Ligand Interaction
![ligand interaction](./Kdata/F032517/ligand_interaction/ligand_interaction_F032517.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:9:LEU)
Summations of interaction energy for
fragment #1(A:9:LEU)
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. |
-12.904 | -4.766 | 5.141 | -3.663 | -9.615 | -0.02 |
Interaction energy analysis for fragmet #1(A:9:LEU)
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 | 11 | SER | 0 | 0.042 | 0.003 | 3.873 | -2.286 | -0.936 | -0.005 | -0.571 | -0.774 | 0.002 |
4 | A | 12 | GLN | 0 | 0.016 | 0.012 | 2.631 | -3.472 | -0.739 | 1.767 | -1.554 | -2.945 | -0.016 |
5 | A | 13 | PHE | 0 | 0.049 | 0.033 | 4.139 | 0.077 | 0.452 | -0.001 | -0.113 | -0.262 | 0.000 |
6 | A | 14 | MET | 0 | 0.015 | 0.007 | 5.722 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 15 | GLN | 0 | 0.000 | 0.006 | 8.082 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 16 | VAL | 0 | -0.022 | -0.006 | 7.407 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 17 | TYR | 0 | -0.041 | -0.038 | 9.776 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 18 | GLU | -1 | -0.789 | -0.904 | 12.187 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 19 | THR | 0 | -0.062 | -0.031 | 12.372 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 20 | LEU | 0 | -0.029 | -0.021 | 12.656 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 21 | LYS | 1 | 0.785 | 0.886 | 15.631 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 22 | SER | 0 | 0.027 | 0.013 | 17.629 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 23 | GLU | -1 | -0.811 | -0.875 | 17.003 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 24 | LEU | 0 | -0.024 | -0.013 | 18.841 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 25 | ILE | 0 | -0.029 | 0.000 | 21.752 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 26 | HIS | 0 | -0.049 | -0.039 | 22.747 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 27 | ASP | -1 | -0.790 | -0.849 | 24.129 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 28 | PRO | 0 | -0.005 | -0.011 | 25.508 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 29 | LEU | 0 | -0.094 | -0.044 | 27.580 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 30 | PHE | 0 | -0.048 | -0.023 | 29.213 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 31 | GLU | -1 | -0.938 | -0.954 | 30.519 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 32 | PHE | 0 | -0.019 | -0.016 | 26.504 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 33 | ASP | -1 | -0.754 | -0.847 | 31.147 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 34 | ASP | -1 | -0.839 | -0.918 | 31.224 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 35 | ASP | -1 | -0.925 | -0.963 | 31.105 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 36 | SER | 0 | -0.064 | -0.069 | 31.340 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 37 | ARG | 1 | 0.811 | 0.903 | 26.304 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 38 | GLN | 0 | 0.022 | 0.023 | 26.742 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 39 | TRP | 0 | -0.111 | -0.065 | 27.814 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 40 | VAL | 0 | 0.002 | -0.011 | 24.142 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 41 | GLU | -1 | -0.881 | -0.939 | 21.895 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 42 | ARG | 1 | 0.874 | 0.920 | 22.546 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 43 | MET | 0 | -0.029 | 0.017 | 24.213 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 44 | ILE | 0 | 0.016 | 0.025 | 18.855 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 45 | ASP | -1 | -0.775 | -0.860 | 19.002 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 46 | TYR | 0 | -0.088 | -0.059 | 20.258 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 47 | THR | 0 | -0.043 | -0.050 | 22.074 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 48 | VAL | 0 | -0.025 | -0.005 | 15.950 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 49 | PRO | 0 | -0.001 | 0.015 | 14.918 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 50 | GLY | 0 | 0.017 | 0.027 | 15.295 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 51 | GLY | 0 | -0.023 | -0.035 | 15.954 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 52 | LYS | 1 | 0.935 | 0.948 | 13.861 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 53 | MET | 0 | 0.022 | 0.033 | 10.284 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 54 | VAL | 0 | 0.025 | 0.020 | 10.539 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 55 | ARG | 1 | 0.881 | 0.966 | 11.300 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 56 | GLY | 0 | 0.026 | 0.020 | 10.278 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 57 | TYR | 0 | -0.015 | -0.023 | 5.632 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 58 | SER | 0 | 0.014 | -0.008 | 6.981 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 59 | VAL | 0 | -0.028 | 0.027 | 8.908 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 60 | VAL | 0 | 0.000 | -0.002 | 2.451 | -0.552 | -0.379 | 1.465 | -0.288 | -1.350 | -0.001 |
53 | A | 61 | ASP | -1 | -0.912 | -0.954 | 4.957 | -0.731 | -0.624 | -0.001 | -0.005 | -0.101 | 0.000 |
54 | A | 62 | SER | 0 | -0.031 | -0.050 | 6.261 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 63 | TYR | 0 | -0.028 | -0.042 | 6.596 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 64 | GLN | 0 | 0.011 | 0.004 | 3.095 | -2.293 | -0.903 | 0.192 | -0.605 | -0.976 | -0.005 |
57 | A | 65 | LEU | 0 | -0.074 | -0.041 | 6.493 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 66 | LEU | 0 | -0.059 | -0.028 | 9.639 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 67 | LYS | 1 | 0.755 | 0.882 | 7.960 | 1.136 | 1.136 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 68 | GLY | 0 | -0.040 | -0.016 | 9.766 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 69 | GLU | -1 | -0.936 | -0.969 | 9.002 | -0.648 | -0.648 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 70 | GLU | -1 | -0.932 | -0.963 | 5.165 | -1.325 | -1.325 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 71 | LEU | 0 | -0.055 | -0.018 | 2.500 | -0.433 | 0.245 | 0.645 | -0.200 | -1.123 | 0.000 |
64 | A | 72 | THR | 0 | 0.017 | -0.018 | 5.176 | -0.123 | -0.041 | -0.001 | -0.001 | -0.079 | 0.000 |
65 | A | 73 | ASP | -1 | -0.876 | -0.957 | 6.517 | -1.251 | -1.251 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 74 | ASP | -1 | -0.851 | -0.922 | 7.547 | -0.647 | -0.647 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 75 | GLU | -1 | -0.698 | -0.797 | 6.682 | -1.087 | -1.087 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 76 | ILE | 0 | 0.023 | 0.034 | 2.398 | -1.528 | -0.318 | 1.081 | -0.323 | -1.969 | 0.000 |
69 | A | 77 | PHE | 0 | -0.002 | 0.005 | 4.611 | 0.172 | 0.212 | -0.001 | -0.003 | -0.036 | 0.000 |
70 | A | 78 | LEU | 0 | -0.014 | -0.014 | 8.033 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 79 | SER | 0 | 0.041 | -0.020 | 5.349 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 80 | SER | 0 | -0.011 | -0.022 | 5.260 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 81 | ALA | 0 | -0.028 | -0.008 | 7.496 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 82 | LEU | 0 | 0.020 | 0.013 | 10.961 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 83 | GLY | 0 | 0.027 | 0.007 | 9.879 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 84 | TRP | 0 | -0.023 | -0.041 | 9.112 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 85 | CYS | 0 | -0.052 | -0.018 | 12.600 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 86 | ILE | 0 | 0.009 | 0.009 | 13.536 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 87 | GLU | -1 | -0.826 | -0.926 | 12.634 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 88 | TRP | 0 | -0.022 | -0.016 | 14.282 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 89 | LEU | 0 | -0.010 | -0.001 | 18.208 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 90 | GLN | 0 | -0.022 | -0.007 | 16.951 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 91 | ALA | 0 | 0.003 | 0.006 | 19.524 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 92 | TYR | 0 | -0.070 | -0.058 | 21.200 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 93 | PHE | 0 | 0.033 | 0.004 | 23.244 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 94 | LEU | 0 | -0.041 | -0.030 | 21.503 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 95 | VAL | 0 | -0.007 | 0.005 | 24.671 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 96 | LEU | 0 | -0.020 | -0.012 | 26.943 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 97 | ASP | -1 | -0.820 | -0.900 | 27.641 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 98 | ASP | -1 | -0.777 | -0.859 | 27.830 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 99 | ILE | 0 | -0.080 | -0.033 | 30.354 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 100 | MET | 0 | -0.087 | -0.049 | 31.452 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 101 | ASP | -1 | -0.899 | -0.930 | 33.117 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 102 | GLU | -1 | -0.868 | -0.908 | 34.978 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 103 | SER | 0 | 0.019 | 0.013 | 30.338 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 104 | HIS | 0 | 0.013 | -0.001 | 32.692 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 105 | THR | 0 | -0.019 | -0.023 | 28.974 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 106 | ARG | 1 | 0.855 | 0.889 | 24.086 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 107 | ARG | 1 | 0.847 | 0.915 | 17.871 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 108 | GLY | 0 | 0.006 | 0.018 | 22.810 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 109 | GLN | 0 | -0.033 | -0.007 | 23.947 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 110 | PRO | 0 | 0.044 | 0.013 | 27.145 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 111 | CYS | 0 | -0.029 | 0.022 | 28.414 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 112 | TRP | 0 | -0.010 | -0.023 | 27.099 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 113 | PHE | 0 | 0.009 | -0.008 | 29.133 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 114 | ARG | 1 | 0.722 | 0.847 | 32.321 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 115 | LEU | 0 | -0.017 | 0.009 | 29.159 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 116 | PRO | 0 | 0.005 | -0.019 | 33.762 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 117 | LYS | 1 | 0.905 | 0.952 | 34.701 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 118 | VAL | 0 | 0.006 | 0.029 | 31.195 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 119 | GLY | 0 | 0.051 | 0.028 | 34.425 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 120 | MET | 0 | 0.050 | -0.004 | 34.540 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 121 | ILE | 0 | -0.030 | 0.003 | 32.681 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 122 | ALA | 0 | 0.025 | 0.015 | 30.522 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 123 | ALA | 0 | 0.034 | 0.016 | 30.075 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 124 | ASN | 0 | -0.026 | -0.014 | 31.175 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 125 | ASP | -1 | -0.743 | -0.868 | 27.582 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 126 | GLY | 0 | 0.049 | 0.024 | 26.443 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 127 | ILE | 0 | 0.015 | 0.000 | 26.445 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 128 | LEU | 0 | -0.017 | -0.004 | 26.243 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 129 | LEU | 0 | -0.014 | -0.003 | 21.324 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 130 | ARG | 1 | 0.855 | 0.906 | 22.337 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 131 | ASN | 0 | -0.036 | -0.032 | 23.780 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 132 | HIS | 0 | 0.075 | 0.035 | 20.377 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 133 | VAL | 0 | 0.036 | 0.044 | 18.677 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 134 | PRO | 0 | 0.017 | 0.002 | 19.953 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 135 | ARG | 1 | 0.768 | 0.867 | 21.736 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 136 | ILE | 0 | 0.046 | 0.025 | 15.112 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 137 | LEU | 0 | 0.049 | 0.018 | 16.793 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 138 | LYS | 1 | 0.944 | 0.974 | 18.769 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 139 | LYS | 1 | 0.855 | 0.917 | 18.681 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 140 | HIS | 1 | 0.784 | 0.872 | 14.749 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 141 | PHE | 0 | 0.051 | 0.027 | 12.376 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 142 | ARG | 1 | 0.797 | 0.892 | 17.805 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 143 | GLY | 0 | -0.004 | 0.004 | 20.421 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 144 | LYS | 1 | 0.830 | 0.936 | 13.759 | 0.490 | 0.490 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 145 | PRO | 0 | -0.003 | -0.008 | 18.962 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 146 | TYR | 0 | 0.043 | 0.027 | 14.341 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 147 | TYR | 0 | -0.021 | -0.008 | 20.119 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 148 | VAL | 0 | 0.026 | 0.003 | 21.097 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 149 | ASP | -1 | -0.819 | -0.913 | 21.230 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 150 | LEU | 0 | -0.020 | -0.011 | 15.920 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 151 | VAL | 0 | -0.061 | -0.033 | 19.874 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 152 | ASP | -1 | -0.828 | -0.918 | 22.703 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 153 | LEU | 0 | -0.018 | 0.009 | 18.130 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 154 | PHE | 0 | 0.001 | -0.024 | 16.303 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 155 | ASN | 0 | -0.055 | -0.027 | 22.077 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 156 | GLU | -1 | -0.948 | -0.971 | 25.246 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 157 | VAL | 0 | -0.025 | -0.012 | 21.201 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 158 | GLU | -1 | -0.788 | -0.843 | 24.141 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 159 | PHE | 0 | 0.017 | 0.011 | 25.529 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 160 | GLN | 0 | -0.021 | -0.011 | 25.448 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 161 | THR | 0 | 0.012 | -0.004 | 24.260 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 162 | ALA | 0 | -0.014 | -0.010 | 26.870 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 163 | SER | 0 | -0.036 | -0.027 | 29.833 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 164 | GLY | 0 | 0.005 | -0.020 | 29.816 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 165 | GLN | 0 | -0.004 | -0.008 | 29.360 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 166 | MET | 0 | -0.025 | 0.006 | 31.270 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 167 | ILE | 0 | -0.003 | -0.017 | 33.119 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 168 | ASP | -1 | -0.851 | -0.920 | 31.885 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 169 | LEU | 0 | 0.048 | 0.041 | 33.715 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 170 | ILE | 0 | -0.038 | -0.028 | 36.525 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 171 | THR | 0 | -0.064 | -0.038 | 37.575 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 172 | THR | 0 | -0.044 | -0.051 | 36.054 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 173 | LEU | 0 | -0.001 | 0.011 | 37.120 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 174 | VAL | 0 | -0.049 | -0.006 | 40.968 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 175 | GLY | 0 | -0.024 | -0.010 | 43.663 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 176 | GLU | -1 | -0.928 | -0.967 | 46.627 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 177 | LYN | 0 | 0.043 | 0.050 | 44.363 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 178 | ASP | -1 | -0.832 | -0.901 | 44.751 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 179 | LEU | 0 | 0.029 | 0.018 | 42.519 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 180 | SER | 0 | -0.082 | -0.058 | 44.409 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 181 | LYS | 1 | 0.844 | 0.934 | 43.097 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 182 | TYR | 0 | -0.091 | -0.041 | 39.636 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 183 | SER | 0 | 0.056 | 0.008 | 40.083 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 184 | LEU | 0 | 0.071 | 0.032 | 36.000 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 185 | SER | 0 | -0.021 | -0.010 | 36.370 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 186 | ILE | 0 | -0.030 | 0.001 | 37.315 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 187 | HIS | 0 | 0.040 | 0.010 | 31.657 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 188 | ARG | 1 | 0.980 | 0.994 | 31.652 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 189 | ARG | 1 | 0.865 | 0.923 | 31.268 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 190 | ILE | 0 | 0.052 | 0.026 | 31.225 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 191 | VAL | 0 | 0.043 | 0.033 | 27.195 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 192 | GLN | 0 | -0.017 | -0.008 | 27.113 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 193 | TYR | 0 | -0.064 | -0.040 | 26.585 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 194 | LYS | 1 | 0.857 | 0.942 | 26.949 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 195 | THR | 0 | -0.037 | -0.032 | 23.518 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 196 | ALA | 0 | 0.010 | 0.022 | 22.291 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 197 | TYR | 0 | 0.028 | 0.010 | 21.446 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 198 | TYR | 0 | 0.032 | -0.016 | 18.970 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 199 | SER | 0 | -0.037 | -0.026 | 17.853 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 200 | PHE | 0 | -0.036 | 0.002 | 16.989 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 201 | TYR | 0 | 0.053 | 0.020 | 16.993 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 202 | LEU | 0 | 0.042 | 0.022 | 16.855 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 203 | PRO | 0 | 0.009 | -0.004 | 12.418 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 204 | VAL | 0 | 0.036 | 0.019 | 12.715 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 205 | ALA | 0 | 0.001 | 0.002 | 14.314 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 206 | CYS | 0 | -0.019 | -0.012 | 13.343 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 207 | ALA | 0 | -0.019 | -0.012 | 10.656 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 208 | LEU | 0 | 0.023 | 0.001 | 12.082 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 209 | LEU | 0 | 0.016 | 0.016 | 15.326 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 210 | MET | 0 | -0.074 | -0.018 | 9.065 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 211 | PHE | 0 | -0.037 | -0.014 | 12.141 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 212 | GLY | 0 | -0.022 | -0.004 | 14.036 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 213 | GLU | -1 | -0.905 | -0.946 | 17.082 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 214 | ASP | -1 | -0.848 | -0.931 | 19.213 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 215 | LEU | 0 | 0.009 | -0.012 | 18.672 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 216 | ASP | -1 | -0.892 | -0.919 | 22.403 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 217 | LYS | 1 | 0.740 | 0.852 | 24.291 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 218 | HIS | 0 | -0.013 | -0.008 | 19.293 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 219 | VAL | 0 | -0.010 | 0.001 | 22.737 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 220 | GLU | -1 | -0.822 | -0.928 | 24.516 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 221 | VAL | 0 | 0.003 | 0.015 | 18.374 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 222 | LYS | 1 | 0.975 | 0.996 | 21.252 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 223 | ASN | 0 | -0.008 | -0.010 | 22.525 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 224 | VAL | 0 | -0.002 | -0.002 | 21.518 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 225 | LEU | 0 | -0.004 | 0.000 | 17.189 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 226 | VAL | 0 | -0.001 | 0.006 | 21.127 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 227 | GLU | -1 | -0.866 | -0.910 | 24.237 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 228 | MET | 0 | -0.049 | -0.014 | 19.078 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 229 | GLY | 0 | 0.026 | 0.005 | 21.996 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 230 | THR | 0 | -0.044 | -0.049 | 22.677 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 231 | TYR | 0 | -0.073 | -0.066 | 23.441 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 232 | PHE | 0 | 0.025 | 0.006 | 19.660 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 233 | GLN | 0 | -0.001 | 0.003 | 23.807 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 234 | VAL | 0 | -0.009 | 0.001 | 26.017 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 235 | GLN | 0 | -0.022 | -0.026 | 23.211 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 236 | ASP | -1 | -0.810 | -0.891 | 23.952 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 237 | ASP | -1 | -0.757 | -0.851 | 26.713 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 238 | TYR | 0 | -0.034 | -0.003 | 29.520 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 239 | LEU | 0 | -0.003 | -0.019 | 24.929 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 240 | ASP | -1 | -0.796 | -0.883 | 28.992 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 241 | CYS | 0 | -0.034 | 0.006 | 30.505 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 242 | PHE | 0 | -0.006 | -0.015 | 32.353 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 243 | GLY | 0 | -0.002 | 0.013 | 29.071 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 244 | ALA | 0 | 0.014 | 0.008 | 29.411 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 245 | PRO | 0 | 0.061 | 0.027 | 28.594 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 246 | GLU | -1 | -0.911 | -0.962 | 28.038 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 247 | VAL | 0 | -0.083 | -0.030 | 24.617 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 248 | ILE | 0 | -0.038 | -0.029 | 23.886 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 249 | GLY | 0 | -0.037 | -0.004 | 24.115 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 250 | LYS | 1 | 0.808 | 0.888 | 25.375 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 251 | ILE | 0 | 0.008 | -0.001 | 28.279 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 252 | GLY | 0 | 0.004 | 0.011 | 31.519 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 253 | THR | 0 | -0.024 | -0.029 | 32.154 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 254 | ASP | -1 | -0.772 | -0.870 | 32.478 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 255 | ILE | 0 | -0.037 | -0.009 | 34.933 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 256 | GLU | -1 | -0.823 | -0.931 | 38.236 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 257 | ASP | -1 | -0.842 | -0.885 | 35.598 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 258 | PHE | 0 | 0.009 | 0.003 | 37.964 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 259 | LYS | 1 | 0.869 | 0.943 | 30.450 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 260 | CYS | 0 | -0.022 | -0.002 | 35.635 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 261 | SER | 0 | -0.034 | -0.025 | 34.025 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 262 | TRP | 0 | 0.001 | -0.024 | 32.687 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 263 | LEU | 0 | 0.001 | 0.004 | 34.118 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 264 | VAL | 0 | 0.057 | 0.040 | 36.709 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 265 | VAL | 0 | -0.045 | -0.024 | 37.115 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 266 | LYS | 1 | 0.808 | 0.889 | 37.521 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 267 | ALA | 0 | 0.006 | 0.000 | 40.089 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 268 | LEU | 0 | -0.046 | -0.040 | 42.365 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 269 | GLU | -1 | -0.880 | -0.912 | 41.120 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 270 | LEU | 0 | -0.026 | -0.015 | 42.091 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 271 | ALA | 0 | -0.040 | 0.001 | 45.681 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 272 | ASN | 0 | 0.042 | 0.030 | 48.015 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 273 | GLU | -1 | -0.872 | -0.960 | 51.250 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 274 | GLU | -1 | -0.950 | -0.968 | 53.365 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 275 | GLN | 0 | 0.052 | 0.035 | 48.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 276 | LYS | 1 | 0.996 | 1.007 | 48.514 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 277 | LYS | 1 | 0.811 | 0.887 | 49.374 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 278 | THR | 0 | -0.010 | -0.012 | 48.160 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 279 | LEU | 0 | 0.014 | 0.005 | 43.519 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 280 | HIS | 0 | -0.044 | -0.044 | 46.437 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 281 | GLU | -1 | -0.847 | -0.894 | 48.518 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 282 | ASN | 0 | -0.071 | -0.042 | 46.743 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 283 | TYR | 0 | 0.011 | 0.003 | 37.736 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 284 | GLY | 0 | -0.008 | -0.002 | 41.842 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 285 | LYS | 1 | 0.796 | 0.887 | 42.871 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 286 | LYS | 1 | 0.868 | 0.887 | 39.099 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 287 | ASP | -1 | -0.803 | -0.863 | 43.494 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 288 | PRO | 0 | 0.054 | 0.010 | 43.305 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 289 | ALA | 0 | 0.010 | 0.011 | 44.321 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 290 | SER | 0 | -0.085 | -0.078 | 46.165 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 291 | VAL | 0 | 0.022 | 0.021 | 39.855 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 292 | ALA | 0 | -0.016 | -0.004 | 42.481 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 293 | LYS | 1 | 0.854 | 0.929 | 44.162 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 294 | VAL | 0 | 0.003 | 0.006 | 41.222 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 295 | LYS | 1 | 0.881 | 0.921 | 36.001 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 296 | GLU | -1 | -0.893 | -0.937 | 41.618 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 297 | VAL | 0 | -0.003 | 0.004 | 44.704 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 298 | TYR | 0 | 0.014 | -0.020 | 37.713 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 299 | HIS | 0 | 0.026 | 0.019 | 39.476 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 300 | THR | 0 | -0.074 | -0.042 | 42.597 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 301 | LEU | 0 | -0.064 | -0.024 | 43.224 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 302 | ASN | 0 | -0.008 | -0.007 | 40.262 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 303 | LEU | 0 | 0.016 | -0.001 | 37.597 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 304 | GLN | 0 | 0.025 | 0.018 | 35.391 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 305 | ALA | 0 | 0.032 | 0.022 | 35.274 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 306 | VAL | 0 | -0.012 | 0.002 | 36.823 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 307 | PHE | 0 | 0.007 | -0.003 | 27.861 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 308 | GLU | -1 | -0.941 | -0.976 | 31.908 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 309 | ASP | -1 | -0.896 | -0.944 | 32.717 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 310 | TYR | 0 | 0.019 | 0.015 | 29.714 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 311 | GLU | -1 | -0.739 | -0.830 | 26.264 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 312 | ALA | 0 | -0.023 | -0.007 | 29.114 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 313 | THR | 0 | -0.057 | -0.040 | 30.684 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 314 | SER | 0 | -0.023 | -0.031 | 28.230 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 315 | TYR | 0 | -0.004 | -0.002 | 22.654 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 316 | LYS | 1 | 0.981 | 0.996 | 26.481 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 317 | LYS | 1 | 0.869 | 0.938 | 28.659 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 318 | LEU | 0 | 0.009 | 0.018 | 23.571 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 319 | ILE | 0 | 0.014 | 0.006 | 22.568 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 320 | THR | 0 | -0.018 | -0.023 | 24.936 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 321 | SER | 0 | -0.065 | -0.044 | 25.600 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 322 | ILE | 0 | -0.047 | -0.015 | 20.056 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 323 | GLU | -1 | -0.845 | -0.910 | 23.056 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 324 | ASN | 0 | -0.071 | -0.034 | 24.666 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 325 | HIS | 0 | -0.003 | -0.001 | 21.870 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 326 | PRO | 0 | 0.017 | 0.004 | 23.381 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 327 | SER | 0 | 0.032 | 0.034 | 18.562 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 328 | LYS | 1 | 0.993 | 0.977 | 17.898 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 329 | ALA | 0 | 0.032 | 0.027 | 14.461 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 330 | VAL | 0 | 0.067 | 0.026 | 14.715 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 331 | GLN | 0 | -0.061 | -0.042 | 16.659 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 332 | ALA | 0 | -0.016 | -0.001 | 13.533 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 333 | VAL | 0 | 0.024 | 0.028 | 11.499 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 334 | LEU | 0 | 0.014 | 0.003 | 13.471 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 335 | LYS | 1 | 0.830 | 0.887 | 16.882 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 336 | SER | 0 | -0.016 | 0.012 | 10.782 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 337 | PHE | 0 | -0.043 | -0.046 | 11.289 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 338 | LEU | 0 | 0.041 | 0.011 | 15.324 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 339 | GLY | 0 | -0.002 | -0.002 | 17.001 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 340 | LYS | 1 | 0.866 | 0.955 | 12.134 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 341 | ILE | 0 | -0.046 | -0.023 | 15.798 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 342 | TYR | 0 | 0.032 | 0.029 | 19.410 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 343 | LYS | 1 | 0.842 | 0.913 | 21.734 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 344 | ARG | 1 | 0.740 | 0.857 | 20.327 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 345 | GLN | 0 | 0.074 | 0.024 | 21.788 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 346 | LYS | 1 | 0.851 | 0.947 | 19.933 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |