![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 941N2
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 | 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 | 319 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4750299.547983 |
---|---|
FMO2-HF: Nuclear repulsion | 4623044.365563 |
FMO2-HF: Total energy | -127255.182419 |
FMO2-MP2: Total energy | -127622.030334 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F029796/ligand_interaction/ligand_F029796.png)
Ligand Interaction
![ligand interaction](./Kdata/F029796/ligand_interaction/ligand_interaction_F029796.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. |
-18.83 | -29.337 | 45.499 | -11.504 | -23.487 | -0.02 |
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 | 0.009 | 0.001 | 3.843 | -2.115 | 1.667 | -0.030 | -1.845 | -1.908 | -0.008 |
4 | A | 11 | GLU | -1 | -0.816 | -0.946 | 5.404 | -0.671 | -0.671 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 12 | GLY | 0 | 0.036 | 0.008 | 7.097 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 13 | VAL | 0 | 0.022 | 0.027 | 9.351 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 14 | THR | 0 | -0.023 | -0.012 | 10.210 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 15 | VAL | 0 | -0.057 | -0.023 | 12.879 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 16 | ALA | 0 | -0.024 | -0.008 | 13.498 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 17 | SER | 0 | 0.045 | 0.020 | 8.792 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 18 | SER | 0 | -0.031 | -0.018 | 8.517 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 19 | SER | 0 | -0.022 | -0.028 | 9.976 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 20 | HIS | 0 | -0.022 | -0.003 | 11.242 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 21 | PHE | 0 | 0.017 | 0.005 | 8.828 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 22 | ASN | 0 | 0.006 | 0.013 | 11.597 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 23 | PRO | 0 | 0.025 | 0.015 | 9.572 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 24 | ASP | -1 | -0.809 | -0.881 | 11.678 | 0.498 | 0.498 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 25 | PRO | 0 | 0.003 | -0.006 | 14.933 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 26 | ASP | -1 | -0.735 | -0.852 | 13.101 | 0.440 | 0.440 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 27 | ALA | 0 | -0.021 | -0.003 | 13.007 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 28 | GLU | -1 | -0.922 | -0.972 | 14.650 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 29 | THR | 0 | -0.041 | -0.014 | 17.659 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 30 | LEU | 0 | 0.025 | 0.009 | 13.077 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 31 | TYR | 0 | 0.046 | 0.037 | 17.657 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 32 | LYS | 1 | 0.878 | 0.930 | 19.942 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 33 | ALA | 0 | -0.045 | -0.007 | 20.080 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 34 | MET | 0 | 0.041 | 0.020 | 16.913 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 35 | LYS | 1 | 0.860 | 0.941 | 22.463 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 36 | GLY | 0 | -0.035 | -0.010 | 24.953 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 37 | ILE | 0 | -0.004 | -0.004 | 28.100 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 38 | GLY | 0 | -0.016 | -0.003 | 28.850 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 39 | THR | 0 | 0.042 | 0.021 | 22.615 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 40 | ASN | 0 | -0.047 | -0.012 | 23.525 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 41 | GLU | -1 | -0.805 | -0.932 | 21.378 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 42 | GLN | 0 | -0.051 | -0.029 | 20.404 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 43 | ALA | 0 | 0.015 | 0.020 | 20.179 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 44 | ILE | 0 | -0.003 | -0.005 | 16.065 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 45 | ILE | 0 | 0.002 | 0.000 | 15.609 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 46 | ASP | -1 | -0.883 | -0.928 | 15.911 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 47 | VAL | 0 | -0.044 | -0.011 | 12.450 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 48 | LEU | 0 | 0.005 | -0.009 | 10.786 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 49 | THR | 0 | -0.044 | -0.027 | 10.796 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 50 | LYS | 1 | 0.813 | 0.897 | 12.856 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 51 | ARG | 1 | 0.783 | 0.877 | 8.799 | -0.329 | -0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 52 | SER | 0 | 0.095 | 0.039 | 6.031 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 53 | ASN | 0 | -0.008 | -0.012 | 2.581 | -3.343 | -0.395 | 2.511 | -1.950 | -3.508 | -0.026 |
47 | A | 54 | THR | 0 | 0.015 | -0.024 | 1.955 | -12.832 | -16.722 | 19.252 | -7.784 | -7.577 | 0.030 |
48 | A | 55 | GLN | 0 | 0.018 | 0.005 | 2.628 | 4.098 | -1.260 | 0.036 | 6.016 | -0.693 | -0.002 |
49 | A | 56 | ARG | 1 | 0.810 | 0.886 | 5.384 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 57 | GLN | 0 | -0.055 | -0.041 | 2.081 | 0.595 | -1.919 | 7.093 | -1.370 | -3.209 | -0.004 |
51 | A | 58 | GLN | 0 | -0.077 | -0.038 | 2.969 | -1.918 | -1.448 | 0.097 | -0.112 | -0.456 | 0.000 |
52 | A | 59 | ILE | 0 | 0.007 | 0.002 | 6.291 | -0.334 | -0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 60 | ALA | 0 | 0.015 | 0.019 | 7.887 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 61 | LYS | 1 | 0.875 | 0.929 | 6.347 | -1.721 | -1.721 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 62 | SER | 0 | -0.001 | -0.019 | 9.926 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 63 | PHE | 0 | 0.011 | -0.001 | 12.178 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 64 | LYS | 1 | 0.861 | 0.914 | 12.879 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 65 | ALA | 0 | -0.052 | -0.025 | 14.289 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 66 | GLN | 0 | -0.063 | -0.025 | 15.503 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 67 | PHE | 0 | -0.033 | -0.022 | 17.101 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 68 | GLY | 0 | -0.024 | 0.001 | 18.376 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 69 | LYS | 1 | 0.932 | 0.961 | 18.288 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 70 | ASP | -1 | -0.826 | -0.918 | 12.818 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 71 | LEU | 0 | 0.056 | 0.023 | 10.875 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 72 | THR | 0 | 0.072 | 0.035 | 10.877 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 73 | GLU | -1 | -0.829 | -0.894 | 13.079 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 74 | THR | 0 | -0.042 | -0.024 | 16.535 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 75 | LEU | 0 | 0.003 | -0.003 | 13.075 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 76 | LYS | 1 | 0.789 | 0.873 | 15.463 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 77 | SER | 0 | -0.110 | -0.040 | 18.294 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 78 | GLU | -1 | -0.900 | -0.947 | 20.360 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 79 | LEU | 0 | -0.046 | -0.002 | 17.748 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 80 | SER | 0 | 0.032 | 0.006 | 21.621 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 81 | GLY | 0 | 0.001 | -0.006 | 22.882 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 82 | LYS | 1 | 0.833 | 0.886 | 21.088 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 83 | PHE | 0 | 0.041 | 0.021 | 18.938 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 84 | GLU | -1 | -0.824 | -0.909 | 18.041 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 85 | ARG | 1 | 0.947 | 0.973 | 16.621 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 86 | LEU | 0 | -0.050 | -0.018 | 14.646 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 87 | ILE | 0 | 0.025 | 0.008 | 13.375 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 88 | VAL | 0 | 0.009 | -0.001 | 12.174 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 89 | ALA | 0 | -0.020 | -0.004 | 10.943 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 90 | LEU | 0 | 0.009 | 0.010 | 9.013 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 91 | MET | 0 | -0.047 | -0.006 | 7.355 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 92 | TYR | 0 | 0.011 | 0.035 | 6.138 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 93 | PRO | 0 | 0.026 | 0.022 | 2.323 | -1.476 | -0.507 | 0.772 | -0.457 | -1.284 | -0.001 |
87 | A | 94 | PRO | 0 | 0.004 | -0.005 | 1.898 | 3.165 | -3.979 | 15.770 | -3.901 | -4.725 | -0.009 |
88 | A | 95 | TYR | 0 | -0.030 | -0.014 | 4.607 | -0.164 | 0.103 | -0.001 | -0.089 | -0.178 | 0.000 |
89 | A | 96 | ARG | 1 | 0.809 | 0.853 | 5.933 | 0.460 | 0.460 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 97 | TYR | 0 | -0.051 | -0.018 | 7.629 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 98 | GLU | -1 | -0.771 | -0.891 | 9.317 | -0.815 | -0.815 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 99 | ALA | 0 | 0.009 | 0.012 | 10.925 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 100 | LYS | 1 | 0.890 | 0.947 | 12.126 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 101 | GLU | -1 | -0.861 | -0.916 | 13.733 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 102 | LEU | 0 | -0.031 | -0.016 | 14.870 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 103 | HIS | 0 | 0.065 | 0.054 | 16.614 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 104 | ASP | -1 | -0.830 | -0.932 | 17.961 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 105 | ALA | 0 | -0.124 | -0.067 | 19.882 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 106 | MET | 0 | 0.053 | 0.029 | 20.355 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 107 | LYS | 1 | 0.834 | 0.955 | 20.311 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 108 | GLY | 0 | -0.047 | -0.019 | 23.701 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 109 | LEU | 0 | -0.026 | -0.010 | 26.291 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 110 | GLY | 0 | -0.024 | -0.018 | 29.155 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 111 | THR | 0 | 0.058 | 0.021 | 25.300 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 112 | LYS | 1 | 0.825 | 0.913 | 21.933 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 113 | GLU | -1 | -0.779 | -0.901 | 23.559 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 114 | GLY | 0 | 0.031 | 0.015 | 24.164 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 115 | VAL | 0 | -0.081 | -0.041 | 18.420 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 116 | ILE | 0 | 0.064 | 0.032 | 19.454 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 117 | ILE | 0 | 0.029 | 0.016 | 20.369 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 118 | GLU | -1 | -0.794 | -0.851 | 18.075 | -0.332 | -0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 119 | ILE | 0 | -0.011 | 0.009 | 14.419 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 120 | LEU | 0 | 0.015 | 0.001 | 16.695 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 121 | ALA | 0 | 0.024 | 0.024 | 18.622 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 122 | SER | 0 | -0.072 | -0.057 | 16.697 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 123 | ARG | 1 | 0.736 | 0.860 | 11.378 | 0.612 | 0.612 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 124 | THR | 0 | -0.014 | -0.005 | 13.065 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 125 | LYS | 1 | 0.831 | 0.928 | 14.765 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 126 | ASN | 0 | 0.008 | -0.010 | 12.450 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 127 | GLN | 0 | 0.029 | 0.032 | 9.221 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 128 | LEU | 0 | 0.049 | 0.024 | 10.844 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 129 | ARG | 1 | 0.915 | 0.953 | 13.009 | 0.338 | 0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 130 | GLU | -1 | -0.856 | -0.918 | 7.691 | -0.608 | -0.608 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 131 | ILE | 0 | -0.039 | -0.013 | 9.351 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 132 | MET | 0 | 0.012 | 0.009 | 11.137 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 133 | LYS | 1 | 0.836 | 0.928 | 8.880 | 0.488 | 0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 134 | ALA | 0 | -0.042 | -0.031 | 8.813 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 135 | TYR | 0 | -0.081 | -0.083 | 10.741 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 136 | GLU | -1 | -0.917 | -0.950 | 14.056 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 137 | GLU | -1 | -0.897 | -0.941 | 10.639 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 138 | ASP | -1 | -0.864 | -0.901 | 10.814 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 139 | TYR | 0 | -0.075 | -0.054 | 12.627 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 140 | GLY | 0 | -0.042 | 0.007 | 17.409 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 141 | SER | 0 | -0.023 | -0.022 | 19.727 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 142 | SER | 0 | 0.063 | 0.024 | 19.239 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 143 | LEU | 0 | -0.009 | -0.009 | 16.099 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 144 | GLU | -1 | -0.857 | -0.938 | 19.583 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 145 | GLU | -1 | -0.915 | -0.962 | 22.342 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 146 | ASP | -1 | -0.796 | -0.855 | 21.731 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 147 | ILE | 0 | -0.014 | -0.019 | 21.186 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 148 | GLN | 0 | -0.060 | -0.024 | 24.435 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 149 | ALA | 0 | -0.048 | -0.020 | 27.518 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 150 | ASP | -1 | -0.858 | -0.902 | 26.227 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 151 | THR | 0 | -0.082 | -0.039 | 26.627 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 152 | SER | 0 | 0.021 | -0.002 | 29.326 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 153 | GLY | 0 | -0.007 | -0.004 | 32.224 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 154 | TYR | 0 | 0.030 | -0.012 | 32.995 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 155 | LEU | 0 | -0.011 | 0.006 | 27.526 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 156 | GLU | -1 | -0.816 | -0.918 | 27.869 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 157 | ARG | 1 | 0.928 | 0.981 | 27.591 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 158 | ILE | 0 | -0.015 | -0.013 | 26.435 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 159 | LEU | 0 | -0.006 | 0.007 | 22.897 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 160 | VAL | 0 | 0.036 | 0.014 | 23.221 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 161 | CYS | 0 | -0.130 | -0.051 | 24.073 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 162 | LEU | 0 | -0.049 | -0.041 | 21.427 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 163 | LEU | 0 | -0.024 | -0.006 | 17.968 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 164 | GLN | 0 | -0.023 | -0.012 | 19.943 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 165 | GLY | 0 | -0.012 | -0.025 | 20.413 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 166 | SER | 0 | -0.040 | -0.050 | 21.048 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 167 | ARG | 1 | 0.932 | 0.985 | 17.816 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 168 | ASP | -1 | -0.831 | -0.925 | 18.427 | -0.356 | -0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 169 | ASP | -1 | -0.864 | -0.912 | 20.446 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 170 | VAL | 0 | -0.025 | -0.003 | 22.249 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 171 | SER | 0 | 0.032 | 0.003 | 24.614 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 172 | SER | 0 | -0.088 | -0.033 | 24.548 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 173 | PHE | 0 | 0.016 | 0.012 | 26.683 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 174 | VAL | 0 | -0.017 | -0.015 | 30.047 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 175 | ASP | -1 | -0.807 | -0.891 | 32.613 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 176 | PRO | 0 | -0.022 | -0.031 | 35.668 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 177 | ALA | 0 | 0.014 | 0.006 | 38.129 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 178 | LEU | 0 | -0.020 | 0.000 | 34.435 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 179 | ALA | 0 | -0.012 | -0.016 | 35.220 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 180 | LEU | 0 | 0.003 | -0.002 | 36.639 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 181 | GLN | 0 | -0.055 | -0.024 | 39.713 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 182 | ASP | -1 | -0.721 | -0.833 | 34.811 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 183 | ALA | 0 | 0.019 | 0.013 | 37.933 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 184 | GLN | 0 | 0.022 | 0.016 | 39.176 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 185 | ASP | -1 | -0.856 | -0.916 | 39.703 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 186 | LEU | 0 | -0.056 | -0.034 | 35.312 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 187 | TYR | 0 | -0.065 | -0.044 | 39.851 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 188 | ALA | 0 | -0.004 | 0.000 | 42.977 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 189 | ALA | 0 | -0.027 | -0.019 | 41.587 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 190 | GLY | 0 | 0.012 | 0.026 | 43.576 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 191 | GLU | -1 | -0.941 | -0.959 | 45.035 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 192 | LYS | 1 | 0.755 | 0.869 | 44.521 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 193 | ILE | 0 | -0.012 | -0.007 | 46.548 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 194 | ARG | 1 | 0.876 | 0.937 | 40.080 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 195 | GLY | 0 | 0.075 | 0.029 | 40.810 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 196 | THR | 0 | -0.116 | -0.056 | 41.056 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 197 | ASP | -1 | -0.765 | -0.875 | 40.664 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 198 | GLU | -1 | -0.880 | -0.945 | 36.171 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 199 | MET | 0 | 0.007 | 0.004 | 32.996 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 200 | LYS | 1 | 0.877 | 0.930 | 34.855 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 201 | PHE | 0 | 0.031 | 0.011 | 34.097 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 202 | ILE | 0 | 0.024 | 0.019 | 29.608 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 203 | THR | 0 | -0.005 | -0.007 | 30.121 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 204 | ILE | 0 | -0.023 | 0.015 | 30.619 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 205 | LEU | 0 | -0.007 | -0.015 | 28.793 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 207 | THR | 0 | -0.024 | -0.026 | 25.705 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 208 | ARG | 1 | 0.767 | 0.870 | 27.917 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 209 | SER | 0 | 0.037 | 0.009 | 25.231 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 210 | ALA | 0 | 0.098 | 0.034 | 23.230 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 211 | THR | 0 | 0.012 | -0.003 | 25.325 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 212 | HIS | 0 | -0.050 | -0.041 | 27.578 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 213 | LEU | 0 | -0.003 | -0.001 | 26.746 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 214 | LEU | 0 | -0.014 | 0.002 | 26.652 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 215 | ARG | 1 | 0.862 | 0.931 | 30.495 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 216 | VAL | 0 | 0.003 | 0.003 | 33.289 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 217 | PHE | 0 | 0.006 | -0.012 | 28.884 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 218 | GLU | -1 | -0.858 | -0.907 | 34.633 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 219 | GLU | -1 | -0.812 | -0.910 | 36.745 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 220 | TYR | 0 | -0.021 | -0.027 | 37.668 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 221 | GLU | -1 | -0.925 | -0.956 | 37.679 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 222 | LYS | 1 | 0.713 | 0.845 | 40.052 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 223 | ILE | 0 | -0.051 | -0.019 | 41.896 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 224 | ALA | 0 | 0.020 | 0.015 | 42.618 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 225 | ASN | 0 | -0.095 | -0.041 | 43.930 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 226 | LYS | 1 | 0.882 | 0.959 | 41.195 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 227 | SER | 0 | 0.058 | 0.024 | 36.412 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 228 | ILE | 0 | 0.007 | -0.014 | 32.609 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 229 | GLU | -1 | -0.819 | -0.918 | 32.257 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 230 | ASP | -1 | -0.846 | -0.902 | 34.927 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 231 | SER | 0 | -0.042 | -0.023 | 38.168 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 232 | ILE | 0 | 0.012 | 0.015 | 32.953 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 233 | LYS | 1 | 0.879 | 0.938 | 35.890 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 234 | SER | 0 | -0.086 | -0.038 | 37.972 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 235 | GLU | -1 | -0.839 | -0.930 | 38.853 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 236 | THR | 0 | -0.047 | -0.009 | 35.145 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 237 | HIS | 0 | 0.030 | 0.009 | 36.848 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 238 | GLY | 0 | 0.021 | 0.010 | 34.774 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 239 | SER | 0 | 0.028 | 0.002 | 29.576 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 240 | LEU | 0 | 0.015 | 0.007 | 29.812 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 241 | GLU | -1 | -0.880 | -0.941 | 31.116 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 242 | GLU | -1 | -0.893 | -0.950 | 26.580 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 243 | ALA | 0 | -0.009 | -0.006 | 26.578 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 244 | MET | 0 | -0.012 | 0.000 | 26.908 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 245 | LEU | 0 | 0.017 | -0.004 | 28.857 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 246 | THR | 0 | -0.063 | -0.026 | 23.085 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 247 | VAL | 0 | 0.026 | 0.017 | 24.146 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 248 | VAL | 0 | -0.008 | 0.016 | 25.315 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 249 | LYS | 1 | 0.865 | 0.916 | 25.482 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 250 | CYS | 0 | -0.079 | -0.047 | 21.027 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 251 | THR | 0 | -0.060 | -0.027 | 22.057 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 252 | GLN | 0 | -0.088 | -0.045 | 24.547 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 253 | ASN | 0 | -0.023 | -0.038 | 23.056 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 254 | LEU | 0 | 0.079 | 0.050 | 16.314 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 255 | HIS | 0 | -0.037 | -0.036 | 17.138 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 256 | SER | 0 | -0.006 | -0.008 | 20.325 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 257 | TYR | 0 | 0.047 | 0.023 | 20.081 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 258 | PHE | 0 | 0.038 | 0.014 | 15.789 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 259 | ALA | 0 | 0.008 | 0.008 | 20.305 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 260 | GLU | -1 | -0.831 | -0.892 | 22.777 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 261 | ARG | 1 | 0.811 | 0.886 | 21.211 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 262 | LEU | 0 | -0.052 | -0.021 | 18.600 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 263 | TYR | 0 | 0.022 | 0.010 | 22.597 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 264 | TYR | 0 | 0.011 | -0.013 | 26.307 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 265 | ALA | 0 | -0.053 | -0.006 | 23.133 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 266 | MET | 0 | -0.035 | -0.015 | 23.930 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 267 | LYS | 1 | 0.899 | 0.978 | 27.422 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 268 | GLY | 0 | -0.036 | -0.012 | 30.584 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 269 | ALA | 0 | 0.011 | -0.005 | 32.949 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 270 | GLY | 0 | -0.009 | 0.002 | 31.434 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 271 | THR | 0 | 0.085 | 0.048 | 25.138 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 272 | ARG | 1 | 0.925 | 0.953 | 22.765 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 273 | ASP | -1 | -0.779 | -0.874 | 21.625 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 274 | GLY | 0 | -0.037 | -0.024 | 19.167 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 275 | THR | 0 | 0.016 | 0.014 | 18.164 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 276 | LEU | 0 | 0.022 | 0.019 | 18.603 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 277 | ILE | 0 | -0.015 | -0.015 | 14.636 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 278 | ARG | 1 | 0.854 | 0.910 | 13.697 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 279 | ASN | 0 | -0.063 | -0.044 | 13.347 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 280 | ILE | 0 | 0.001 | 0.004 | 14.360 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 281 | VAL | 0 | -0.028 | 0.004 | 9.564 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 282 | SER | 0 | 0.083 | 0.027 | 9.195 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 283 | ARG | 1 | 0.838 | 0.896 | 9.595 | 0.460 | 0.460 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 284 | SER | 0 | -0.094 | -0.063 | 9.693 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 285 | GLU | -1 | -0.818 | -0.890 | 5.540 | -1.615 | -1.652 | -0.001 | -0.012 | 0.051 | 0.000 |
278 | A | 286 | ILE | 0 | -0.018 | 0.013 | 8.675 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 287 | ASP | -1 | -0.756 | -0.862 | 10.746 | -0.418 | -0.418 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 288 | LEU | 0 | 0.063 | 0.044 | 13.816 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 289 | ASN | 0 | 0.003 | -0.015 | 15.695 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 290 | LEU | 0 | -0.007 | 0.002 | 17.396 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 291 | ILE | 0 | 0.034 | 0.027 | 16.170 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 292 | LYS | 1 | 0.839 | 0.916 | 18.939 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 293 | CYS | 0 | -0.071 | -0.031 | 21.761 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 294 | HIS | 0 | 0.002 | -0.011 | 22.396 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 295 | PHE | 0 | 0.010 | 0.002 | 23.590 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 296 | LYS | 1 | 0.908 | 0.955 | 25.491 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 297 | LYS | 1 | 0.895 | 0.947 | 27.889 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 298 | MET | 0 | -0.041 | -0.007 | 27.159 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 299 | TYR | 0 | 0.031 | 0.018 | 26.540 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 300 | GLY | 0 | -0.015 | 0.021 | 31.306 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 301 | LYS | 1 | 0.849 | 0.905 | 30.219 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 302 | THR | 0 | 0.004 | -0.013 | 26.346 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 303 | LEU | 0 | 0.062 | 0.030 | 19.929 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 304 | SER | 0 | 0.005 | -0.037 | 23.508 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 305 | SER | 0 | -0.035 | -0.011 | 24.636 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 306 | MET | 0 | 0.029 | 0.011 | 26.593 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 307 | ILE | 0 | 0.038 | 0.016 | 21.689 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 308 | MET | 0 | -0.098 | -0.049 | 25.318 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 309 | GLU | -1 | -0.895 | -0.931 | 27.992 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 310 | ASP | -1 | -0.850 | -0.907 | 27.428 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 311 | THR | 0 | -0.089 | -0.048 | 23.624 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 312 | SER | 0 | -0.010 | -0.034 | 26.554 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 313 | GLY | 0 | 0.020 | 0.004 | 25.600 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 314 | ASP | -1 | -0.827 | -0.920 | 22.254 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 315 | TYR | 0 | -0.037 | -0.048 | 19.440 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 316 | LYS | 1 | 0.867 | 0.952 | 20.987 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 317 | ASN | 0 | 0.022 | -0.006 | 22.322 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 318 | ALA | 0 | 0.030 | 0.034 | 17.281 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 319 | LEU | 0 | 0.039 | 0.012 | 17.238 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 320 | LEU | 0 | -0.029 | -0.004 | 18.577 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 321 | SER | 0 | -0.014 | -0.004 | 17.125 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 322 | LEU | 0 | -0.005 | -0.002 | 12.438 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 323 | VAL | 0 | -0.019 | -0.002 | 15.662 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 324 | GLY | 0 | 0.054 | 0.042 | 18.012 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 325 | SER | 0 | -0.039 | -0.041 | 19.359 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 326 | ASP | -1 | -0.776 | -0.860 | 22.241 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 327 | PRO | 0 | 0.003 | 0.021 | 24.052 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |