![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: LZKM9
Calculation Name: 1W45-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1W45
Chain ID: A
UniProt ID: P13928
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 | 319 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4746345.687632 |
---|---|
FMO2-HF: Nuclear repulsion | 4619093.11085 |
FMO2-HF: Total energy | -127252.576782 |
FMO2-MP2: Total energy | -127619.379782 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F029797/ligand_interaction/ligand_F029797.png)
Ligand Interaction
![ligand interaction](./Kdata/F029797/ligand_interaction/ligand_interaction_F029797.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:8:ILE)
Summations of interaction energy for
fragment #1(A:8:ILE)
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. |
18.583 | -41.281 | 96.319 | -8.839 | -27.614 | -0.071 |
Interaction energy analysis for fragmet #1(A:8:ILE)
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 | 10 | GLN | 0 | 0.019 | -0.023 | 3.843 | -1.042 | 1.700 | -0.030 | -1.314 | -1.398 | -0.001 |
4 | A | 11 | GLU | -1 | -0.848 | -0.934 | 4.995 | -1.260 | -1.260 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 12 | GLY | 0 | 0.040 | 0.004 | 6.518 | -0.350 | -0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 13 | VAL | 0 | 0.020 | 0.018 | 8.889 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 14 | THR | 0 | 0.002 | 0.006 | 9.933 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 15 | VAL | 0 | -0.044 | -0.021 | 12.631 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 16 | ALA | 0 | -0.020 | 0.001 | 13.919 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 17 | SER | 0 | 0.070 | 0.033 | 9.931 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 18 | SER | 0 | -0.062 | -0.037 | 8.521 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 19 | SER | 0 | -0.022 | -0.022 | 10.074 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 20 | HIS | 0 | -0.016 | -0.001 | 11.013 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 21 | PHE | 0 | 0.011 | 0.000 | 9.143 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 22 | ASN | 0 | 0.032 | 0.022 | 11.653 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 23 | PRO | 0 | 0.027 | 0.015 | 9.929 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 24 | ASP | -1 | -0.822 | -0.899 | 12.042 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 25 | PRO | 0 | 0.002 | -0.007 | 15.361 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 26 | ASP | -1 | -0.737 | -0.853 | 13.075 | -0.341 | -0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 27 | ALA | 0 | -0.017 | -0.002 | 13.390 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 28 | GLU | -1 | -0.930 | -0.974 | 14.770 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 29 | THR | 0 | -0.047 | -0.017 | 17.541 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 30 | LEU | 0 | 0.026 | 0.010 | 12.723 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 31 | TYR | 0 | 0.054 | 0.047 | 17.370 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 32 | LYS | 1 | 0.896 | 0.933 | 19.769 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 33 | ALA | 0 | -0.061 | -0.016 | 19.850 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 34 | MET | 0 | 0.047 | 0.022 | 16.699 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 35 | LYS | 1 | 0.853 | 0.939 | 22.125 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 36 | GLY | 0 | -0.039 | -0.013 | 24.628 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 37 | ILE | 0 | -0.001 | -0.001 | 27.874 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 38 | GLY | 0 | -0.016 | -0.004 | 28.578 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 39 | THR | 0 | 0.050 | 0.025 | 22.421 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 40 | ASN | 0 | -0.040 | -0.016 | 23.337 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 41 | GLU | -1 | -0.823 | -0.938 | 21.256 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 42 | GLN | 0 | -0.032 | -0.015 | 20.354 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 43 | ALA | 0 | -0.001 | 0.016 | 20.010 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 44 | ILE | 0 | 0.007 | 0.003 | 15.724 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 45 | ILE | 0 | -0.011 | -0.007 | 15.571 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 46 | ASP | -1 | -0.914 | -0.950 | 16.012 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 47 | VAL | 0 | -0.042 | -0.014 | 12.358 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 48 | LEU | 0 | 0.013 | -0.007 | 10.565 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 49 | THR | 0 | -0.062 | -0.040 | 10.936 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 50 | LYS | 1 | 0.901 | 0.955 | 13.040 | 0.329 | 0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 51 | ARG | 1 | 0.776 | 0.866 | 8.923 | 0.496 | 0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 52 | SER | 0 | 0.078 | 0.038 | 5.495 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 53 | ASN | 0 | 0.014 | -0.028 | 2.076 | -4.545 | -5.737 | 9.631 | -3.539 | -4.901 | -0.037 |
47 | A | 54 | THR | 0 | -0.005 | -0.024 | 1.664 | 0.401 | -25.264 | 52.383 | -16.863 | -9.855 | -0.016 |
48 | A | 55 | GLN | 0 | 0.035 | 0.004 | 2.288 | 19.318 | 0.036 | 0.330 | 19.729 | -0.777 | -0.003 |
49 | A | 56 | ARG | 1 | 0.792 | 0.879 | 5.414 | 2.084 | 2.084 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 57 | GLN | 0 | -0.056 | -0.038 | 1.978 | 0.767 | 0.037 | 4.789 | -1.220 | -2.839 | -0.005 |
51 | A | 58 | GLN | 0 | -0.056 | -0.035 | 3.366 | -0.029 | 0.313 | 0.007 | -0.076 | -0.273 | 0.000 |
52 | A | 59 | ILE | 0 | -0.007 | -0.002 | 6.794 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 60 | ALA | 0 | 0.018 | 0.022 | 8.131 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 61 | LYS | 1 | 0.914 | 0.953 | 6.481 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 62 | SER | 0 | -0.017 | -0.004 | 10.500 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 63 | PHE | 0 | 0.014 | 0.001 | 12.702 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 64 | LYS | 1 | 0.954 | 0.973 | 13.437 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 65 | ALA | 0 | -0.062 | -0.032 | 14.854 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 66 | GLN | 0 | -0.066 | -0.030 | 16.019 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 67 | PHE | 0 | -0.027 | -0.014 | 17.583 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 68 | GLY | 0 | -0.024 | 0.000 | 18.987 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 69 | LYS | 1 | 0.914 | 0.946 | 18.515 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 70 | ASP | -1 | -0.863 | -0.946 | 13.149 | -0.436 | -0.436 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 71 | LEU | 0 | 0.056 | 0.014 | 10.556 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 72 | THR | 0 | 0.056 | 0.026 | 10.457 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 73 | GLU | -1 | -0.942 | -0.959 | 13.364 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 74 | THR | 0 | -0.054 | -0.031 | 16.731 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 75 | LEU | 0 | -0.014 | -0.009 | 12.859 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 76 | LYS | 1 | 0.925 | 0.960 | 15.602 | 0.321 | 0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 77 | SER | 0 | -0.100 | -0.035 | 18.386 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 78 | GLU | -1 | -0.939 | -0.972 | 20.386 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 79 | LEU | 0 | -0.031 | 0.005 | 17.645 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 80 | SER | 0 | 0.059 | 0.017 | 21.632 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 81 | GLY | 0 | -0.027 | -0.016 | 22.711 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 82 | LYS | 1 | 0.848 | 0.901 | 20.975 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 83 | PHE | 0 | 0.053 | 0.026 | 18.665 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 84 | GLU | -1 | -0.823 | -0.903 | 17.804 | -0.366 | -0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 85 | ARG | 1 | 0.946 | 0.966 | 16.504 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 86 | LEU | 0 | -0.043 | -0.014 | 14.122 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 87 | ILE | 0 | 0.038 | 0.018 | 13.151 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 88 | VAL | 0 | 0.015 | 0.002 | 12.036 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 89 | ALA | 0 | -0.046 | -0.024 | 10.772 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 90 | LEU | 0 | 0.013 | 0.017 | 8.739 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 91 | MET | 0 | -0.019 | 0.004 | 7.075 | -0.440 | -0.440 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 92 | TYR | 0 | 0.006 | 0.035 | 6.250 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 93 | PRO | 0 | 0.010 | 0.019 | 2.231 | -1.069 | -0.853 | 2.271 | -0.905 | -1.581 | 0.003 |
87 | A | 94 | PRO | 0 | 0.026 | 0.001 | 1.922 | 8.158 | -8.346 | 26.938 | -4.532 | -5.901 | -0.012 |
88 | A | 95 | TYR | 0 | -0.009 | 0.007 | 4.385 | -0.109 | 0.154 | 0.001 | -0.107 | -0.156 | 0.000 |
89 | A | 96 | ARG | 1 | 0.837 | 0.874 | 5.616 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 97 | TYR | 0 | 0.001 | 0.017 | 7.204 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 98 | GLU | -1 | -0.790 | -0.907 | 8.818 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 99 | ALA | 0 | 0.019 | 0.018 | 10.693 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 100 | LYS | 1 | 0.951 | 0.996 | 11.765 | 0.377 | 0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 101 | GLU | -1 | -0.920 | -0.964 | 13.396 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 102 | LEU | 0 | -0.039 | -0.025 | 14.613 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 103 | HIS | 0 | -0.003 | 0.021 | 16.337 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 104 | ASP | -1 | -0.887 | -0.979 | 17.314 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 105 | ALA | 0 | -0.138 | -0.075 | 19.374 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 106 | MET | 0 | 0.057 | 0.033 | 20.412 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 107 | LYS | 1 | 0.913 | 0.998 | 20.313 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 108 | GLY | 0 | -0.062 | -0.027 | 23.306 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 109 | LEU | 0 | -0.026 | -0.012 | 25.766 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 110 | GLY | 0 | -0.028 | -0.018 | 28.770 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 111 | THR | 0 | 0.079 | 0.031 | 24.955 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 112 | LYS | 1 | 0.829 | 0.914 | 22.154 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 113 | GLU | -1 | -0.823 | -0.938 | 23.269 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 114 | GLY | 0 | 0.015 | 0.016 | 23.961 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 115 | VAL | 0 | -0.108 | -0.054 | 18.312 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 116 | ILE | 0 | 0.070 | 0.036 | 19.237 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 117 | ILE | 0 | 0.027 | 0.015 | 20.277 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 118 | GLU | -1 | -0.771 | -0.851 | 17.566 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 119 | ILE | 0 | -0.013 | 0.016 | 14.380 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 120 | LEU | 0 | 0.022 | 0.004 | 16.712 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 121 | ALA | 0 | 0.017 | 0.021 | 18.664 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 122 | SER | 0 | -0.083 | -0.062 | 16.728 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 123 | ARG | 1 | 0.779 | 0.881 | 11.599 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 124 | THR | 0 | 0.029 | 0.023 | 13.263 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 125 | LYS | 1 | 0.921 | 1.001 | 15.018 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 126 | ASN | 0 | -0.020 | -0.039 | 12.761 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 127 | GLN | 0 | 0.043 | 0.039 | 9.739 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 128 | LEU | 0 | 0.052 | 0.023 | 11.132 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 129 | ARG | 1 | 0.953 | 0.975 | 13.334 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 130 | GLU | -1 | -0.951 | -0.965 | 8.044 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 131 | ILE | 0 | -0.036 | -0.011 | 9.588 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 132 | MET | 0 | 0.000 | -0.003 | 11.247 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 133 | LYS | 1 | 0.951 | 0.988 | 10.113 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 134 | ALA | 0 | -0.050 | -0.034 | 8.913 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 135 | TYR | 0 | -0.063 | -0.051 | 10.858 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 136 | GLU | -1 | -0.930 | -0.956 | 14.099 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 137 | GLU | -1 | -0.961 | -0.992 | 11.588 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 138 | ASP | -1 | -0.870 | -0.889 | 10.739 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 139 | TYR | 0 | -0.056 | -0.041 | 13.609 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 140 | GLY | 0 | -0.046 | 0.003 | 17.437 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 141 | SER | 0 | -0.028 | -0.019 | 19.947 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 142 | SER | 0 | 0.084 | 0.037 | 19.383 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 143 | LEU | 0 | 0.012 | -0.004 | 16.105 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 144 | GLU | -1 | -0.929 | -0.980 | 19.599 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 145 | GLU | -1 | -0.912 | -0.961 | 22.436 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 146 | ASP | -1 | -0.806 | -0.887 | 21.890 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 147 | ILE | 0 | -0.036 | -0.027 | 20.805 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 148 | GLN | 0 | -0.050 | -0.016 | 24.383 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 149 | ALA | 0 | -0.043 | -0.017 | 27.481 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 150 | ASP | -1 | -0.857 | -0.903 | 26.100 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 151 | THR | 0 | -0.084 | -0.045 | 26.544 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 152 | SER | 0 | 0.023 | 0.000 | 29.218 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 153 | GLY | 0 | -0.007 | -0.006 | 32.173 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 154 | TYR | 0 | -0.001 | -0.024 | 33.025 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 155 | LEU | 0 | -0.009 | 0.009 | 27.173 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 156 | GLU | -1 | -0.863 | -0.929 | 27.880 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 157 | ARG | 1 | 0.989 | 0.993 | 27.671 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 158 | ILE | 0 | -0.008 | -0.009 | 26.657 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 159 | LEU | 0 | -0.023 | 0.001 | 23.278 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 160 | VAL | 0 | 0.049 | 0.020 | 23.351 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 161 | CYS | 0 | -0.125 | -0.055 | 24.295 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 162 | LEU | 0 | -0.041 | -0.038 | 21.618 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 163 | LEU | 0 | -0.002 | 0.000 | 18.371 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 164 | GLN | 0 | 0.006 | 0.019 | 20.257 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 165 | GLY | 0 | -0.061 | -0.063 | 20.852 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 166 | SER | 0 | -0.011 | -0.031 | 21.456 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 167 | ARG | 1 | 0.977 | 1.018 | 18.634 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 168 | ASP | -1 | -0.931 | -0.995 | 18.541 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 169 | ASP | -1 | -0.973 | -0.978 | 20.506 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 170 | VAL | 0 | 0.009 | 0.021 | 22.454 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 171 | SER | 0 | 0.025 | -0.005 | 24.683 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 172 | SER | 0 | -0.107 | -0.045 | 24.629 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 173 | PHE | 0 | 0.028 | 0.020 | 26.766 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 174 | VAL | 0 | -0.023 | -0.015 | 30.140 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 175 | ASP | -1 | -0.811 | -0.893 | 32.696 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 176 | PRO | 0 | -0.028 | -0.033 | 35.744 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 177 | ALA | 0 | 0.016 | 0.007 | 38.206 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 178 | LEU | 0 | -0.016 | 0.001 | 34.869 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 179 | ALA | 0 | -0.004 | -0.015 | 35.328 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 180 | LEU | 0 | -0.011 | -0.009 | 36.699 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 181 | GLN | 0 | -0.068 | -0.023 | 39.683 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 182 | ASP | -1 | -0.710 | -0.845 | 34.875 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 183 | ALA | 0 | 0.017 | 0.012 | 37.971 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 184 | GLN | 0 | 0.014 | 0.011 | 39.218 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 185 | ASP | -1 | -0.906 | -0.951 | 39.667 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 186 | LEU | 0 | -0.049 | -0.031 | 35.339 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 187 | TYR | 0 | -0.038 | -0.027 | 39.872 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 188 | ALA | 0 | 0.000 | -0.001 | 43.003 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 189 | ALA | 0 | -0.003 | -0.006 | 41.675 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 190 | GLY | 0 | -0.013 | 0.016 | 43.630 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 191 | GLU | -1 | -0.983 | -0.984 | 45.044 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 192 | LYS | 1 | 0.828 | 0.923 | 45.783 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 193 | ILE | 0 | -0.023 | -0.013 | 46.645 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 194 | ARG | 1 | 0.925 | 0.973 | 40.417 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 195 | GLY | 0 | 0.064 | 0.024 | 40.860 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 196 | THR | 0 | -0.134 | -0.060 | 41.139 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 197 | ASP | -1 | -0.783 | -0.915 | 40.570 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 198 | GLU | -1 | -0.895 | -0.946 | 36.309 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 199 | MET | 0 | 0.004 | 0.000 | 33.196 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 200 | LYS | 1 | 0.944 | 0.974 | 35.076 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 201 | PHE | 0 | 0.038 | 0.016 | 34.202 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 202 | ILE | 0 | 0.019 | 0.016 | 29.768 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 203 | THR | 0 | -0.014 | -0.015 | 30.354 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 204 | ILE | 0 | -0.013 | 0.014 | 30.880 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 205 | LEU | 0 | -0.013 | -0.018 | 28.822 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 207 | THR | 0 | -0.018 | -0.019 | 25.987 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 208 | ARG | 1 | 0.790 | 0.902 | 28.104 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 209 | SER | 0 | 0.043 | 0.009 | 25.276 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 210 | ALA | 0 | 0.099 | 0.037 | 23.316 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 211 | THR | 0 | 0.007 | -0.007 | 25.387 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 212 | HIS | 0 | -0.055 | -0.044 | 27.658 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 213 | LEU | 0 | -0.007 | -0.007 | 26.752 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 214 | LEU | 0 | -0.026 | -0.003 | 26.581 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 215 | ARG | 1 | 0.930 | 0.980 | 30.564 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 216 | VAL | 0 | 0.005 | 0.006 | 33.349 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 217 | PHE | 0 | -0.009 | -0.019 | 29.016 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 218 | GLU | -1 | -0.908 | -0.943 | 34.687 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 219 | GLU | -1 | -0.884 | -0.963 | 36.812 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 220 | TYR | 0 | -0.005 | -0.008 | 37.803 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 221 | GLU | -1 | -0.942 | -0.957 | 37.495 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 222 | LYS | 1 | 0.791 | 0.894 | 40.389 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 223 | ILE | 0 | -0.054 | -0.019 | 42.157 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 224 | ALA | 0 | 0.013 | 0.011 | 42.733 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 225 | ASN | 0 | -0.076 | -0.032 | 43.993 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 226 | LYS | 1 | 0.931 | 0.973 | 41.429 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 227 | SER | 0 | 0.057 | 0.035 | 36.414 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 228 | ILE | 0 | 0.014 | -0.013 | 32.618 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 229 | GLU | -1 | -0.874 | -0.959 | 32.463 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 230 | ASP | -1 | -0.903 | -0.943 | 34.946 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 231 | SER | 0 | -0.050 | -0.033 | 38.081 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 232 | ILE | 0 | 0.002 | 0.010 | 32.951 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 233 | LYS | 1 | 0.957 | 0.981 | 35.532 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 234 | SER | 0 | -0.113 | -0.049 | 37.965 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 235 | GLU | -1 | -0.884 | -0.950 | 38.996 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 236 | THR | 0 | -0.080 | -0.027 | 35.305 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 237 | HIS | 0 | 0.014 | -0.004 | 36.790 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 238 | GLY | 0 | 0.028 | 0.011 | 34.621 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 239 | SER | 0 | 0.080 | 0.036 | 29.456 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 240 | LEU | 0 | 0.035 | 0.013 | 29.719 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 241 | GLU | -1 | -0.872 | -0.936 | 31.100 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 242 | GLU | -1 | -0.943 | -0.978 | 26.735 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 243 | ALA | 0 | 0.000 | 0.001 | 26.540 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 244 | MET | 0 | -0.006 | 0.002 | 26.928 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 245 | LEU | 0 | 0.013 | -0.005 | 28.861 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 246 | THR | 0 | -0.077 | -0.037 | 23.143 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 247 | VAL | 0 | 0.022 | 0.014 | 24.166 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 248 | VAL | 0 | 0.009 | 0.025 | 25.325 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 249 | LYS | 1 | 0.888 | 0.935 | 25.328 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 250 | CYS | 0 | -0.072 | -0.037 | 21.116 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 251 | THR | 0 | -0.062 | -0.027 | 22.107 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 252 | GLN | 0 | -0.049 | -0.010 | 24.598 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 253 | ASN | 0 | -0.024 | -0.032 | 23.235 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 254 | LEU | 0 | 0.073 | 0.051 | 16.317 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 255 | HIS | 0 | -0.022 | -0.021 | 17.036 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 256 | SER | 0 | -0.021 | -0.018 | 20.386 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 257 | TYR | 0 | 0.088 | 0.039 | 19.838 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 258 | PHE | 0 | 0.039 | 0.012 | 15.876 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 259 | ALA | 0 | 0.010 | 0.007 | 20.324 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 260 | GLU | -1 | -0.841 | -0.911 | 22.804 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 261 | ARG | 1 | 0.853 | 0.910 | 21.215 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 262 | LEU | 0 | -0.058 | -0.025 | 18.334 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 263 | TYR | 0 | 0.002 | 0.001 | 22.416 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 264 | TYR | 0 | -0.012 | -0.023 | 26.140 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 265 | ALA | 0 | -0.058 | -0.011 | 23.024 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 266 | MET | 0 | -0.024 | -0.009 | 23.526 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 267 | LYS | 1 | 0.948 | 1.003 | 27.223 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 268 | GLY | 0 | -0.065 | -0.025 | 30.403 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 269 | ALA | 0 | 0.019 | 0.001 | 32.760 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 270 | GLY | 0 | -0.019 | -0.002 | 31.299 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 271 | THR | 0 | 0.092 | 0.055 | 24.800 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 272 | ARG | 1 | 0.911 | 0.950 | 22.227 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 273 | ASP | -1 | -0.791 | -0.916 | 21.599 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 274 | GLY | 0 | -0.062 | -0.035 | 19.166 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 275 | THR | 0 | 0.010 | 0.016 | 18.162 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 276 | LEU | 0 | 0.034 | 0.029 | 18.531 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 277 | ILE | 0 | -0.021 | -0.017 | 14.520 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 278 | ARG | 1 | 0.848 | 0.910 | 13.824 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 279 | ASN | 0 | -0.069 | -0.037 | 13.297 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 280 | ILE | 0 | 0.018 | 0.012 | 13.959 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 281 | VAL | 0 | 0.000 | 0.019 | 9.273 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 282 | SER | 0 | 0.032 | -0.006 | 9.104 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 283 | ARG | 1 | 0.843 | 0.901 | 9.599 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 284 | SER | 0 | -0.085 | -0.054 | 9.099 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 285 | GLU | -1 | -0.861 | -0.893 | 5.664 | -2.324 | -2.378 | -0.001 | -0.012 | 0.067 | 0.000 |
278 | A | 286 | ILE | 0 | -0.021 | 0.012 | 8.793 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 287 | ASP | -1 | -0.771 | -0.881 | 10.843 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 288 | LEU | 0 | 0.066 | 0.045 | 13.877 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 289 | ASN | 0 | -0.004 | -0.022 | 15.617 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 290 | LEU | 0 | -0.019 | -0.006 | 17.614 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 291 | ILE | 0 | 0.022 | 0.021 | 16.210 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 292 | LYS | 1 | 0.880 | 0.960 | 18.376 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 293 | CYS | 0 | -0.052 | -0.024 | 21.701 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 294 | HIS | 0 | 0.007 | -0.015 | 22.462 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 295 | PHE | 0 | 0.003 | 0.006 | 23.484 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 296 | LYS | 1 | 0.950 | 0.983 | 25.484 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 297 | LYS | 1 | 0.886 | 0.940 | 27.952 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 298 | MET | 0 | -0.016 | 0.012 | 27.365 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 299 | TYR | 0 | 0.051 | 0.036 | 26.523 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 300 | GLY | 0 | -0.020 | 0.016 | 31.160 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 301 | LYS | 1 | 0.910 | 0.937 | 30.052 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 302 | THR | 0 | 0.008 | -0.002 | 25.883 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 303 | LEU | 0 | 0.071 | 0.041 | 19.535 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 304 | SER | 0 | 0.009 | -0.024 | 22.871 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 305 | SER | 0 | -0.041 | -0.012 | 24.165 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 306 | MET | 0 | 0.032 | 0.008 | 26.274 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 307 | ILE | 0 | 0.014 | 0.002 | 21.299 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 308 | MET | 0 | -0.103 | -0.062 | 24.928 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 309 | GLU | -1 | -0.984 | -0.980 | 27.552 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 310 | ASP | -1 | -0.857 | -0.903 | 27.217 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 311 | THR | 0 | -0.099 | -0.057 | 23.414 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 312 | SER | 0 | -0.007 | -0.035 | 26.237 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 313 | GLY | 0 | 0.017 | 0.003 | 25.251 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 314 | ASP | -1 | -0.822 | -0.918 | 22.121 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 315 | TYR | 0 | -0.019 | -0.026 | 19.019 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 316 | LYS | 1 | 0.923 | 0.983 | 20.597 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 317 | ASN | 0 | 0.036 | -0.002 | 21.863 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 318 | ALA | 0 | 0.031 | 0.036 | 16.861 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 319 | LEU | 0 | 0.021 | 0.010 | 17.066 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 320 | LEU | 0 | -0.043 | -0.012 | 18.077 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 321 | SER | 0 | -0.055 | -0.025 | 17.111 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 322 | LEU | 0 | 0.009 | 0.006 | 11.498 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 323 | VAL | 0 | -0.044 | -0.013 | 15.085 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 324 | GLY | 0 | 0.040 | 0.025 | 17.477 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 325 | SER | 0 | -0.060 | -0.051 | 18.895 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 326 | ASP | -1 | -0.791 | -0.895 | 21.988 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 327 | PRO | 0 | -0.038 | -0.008 | 23.670 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |