![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 5JR4Z
Calculation Name: 3ZPJ-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3ZPJ
Chain ID: A
UniProt ID: B6YTT4
Base Structure: X-ray
Registration Date: 2023-09-22
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 | 355 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -5354359.056302 |
---|---|
FMO2-HF: Nuclear repulsion | 5211985.366815 |
FMO2-HF: Total energy | -142373.689488 |
FMO2-MP2: Total energy | -142788.085717 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F034426/ligand_interaction/ligand_F034426.png)
Ligand Interaction
![ligand interaction](./Kdata/F034426/ligand_interaction/ligand_interaction_F034426.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:1:MET)
Summations of interaction energy for
fragment #1(A:1:MET)
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. |
-3.935 | 0.887 | 2.016 | -2.326 | -4.512 | 0.005 |
Interaction energy analysis for fragmet #1(A:1:MET)
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 | 3 | THR | 0 | 0.047 | 0.039 | 3.044 | -1.519 | 1.095 | 0.131 | -1.174 | -1.571 | 0.004 |
4 | A | 4 | LEU | 0 | 0.023 | 0.005 | 2.561 | -3.207 | -1.334 | 1.886 | -1.037 | -2.723 | 0.001 |
5 | A | 5 | GLU | -1 | -0.961 | -0.968 | 4.345 | -2.820 | -2.485 | -0.001 | -0.115 | -0.218 | 0.000 |
6 | A | 6 | GLU | -1 | -0.860 | -0.940 | 6.326 | 0.684 | 0.684 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | ILE | 0 | -0.001 | 0.013 | 7.353 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | ASN | 0 | -0.048 | -0.040 | 7.349 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | LEU | 0 | -0.022 | 0.003 | 10.255 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | LEU | 0 | 0.004 | -0.011 | 12.137 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | VAL | 0 | 0.007 | 0.001 | 13.189 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | GLU | -1 | -0.895 | -0.908 | 14.347 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | ARG | 1 | 0.748 | 0.841 | 15.883 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | GLY | 0 | 0.029 | 0.022 | 18.029 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | TYR | 0 | -0.063 | -0.020 | 16.996 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | TYR | 0 | 0.039 | -0.002 | 16.766 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | GLU | -1 | -0.899 | -0.949 | 16.864 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | GLU | -1 | -0.919 | -0.967 | 15.805 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | ALA | 0 | -0.022 | -0.014 | 12.757 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | LEU | 0 | 0.008 | -0.004 | 12.418 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | ALA | 0 | -0.020 | -0.005 | 14.164 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | LYS | 1 | 0.774 | 0.869 | 8.278 | -0.793 | -0.793 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | VAL | 0 | -0.002 | 0.008 | 9.496 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | TYR | 0 | -0.103 | -0.081 | 9.993 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | GLU | -1 | -0.872 | -0.925 | 7.903 | 0.807 | 0.807 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | ILE | 0 | -0.075 | -0.030 | 5.816 | 0.358 | 0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | GLU | -1 | -0.957 | -0.975 | 6.454 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | ASP | -1 | -0.849 | -0.921 | 7.924 | 0.718 | 0.718 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | PRO | 0 | 0.017 | -0.003 | 9.835 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | ILE | 0 | 0.022 | 0.020 | 12.449 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | GLU | -1 | -0.847 | -0.931 | 6.578 | 1.785 | 1.785 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | GLN | 0 | -0.048 | -0.028 | 9.752 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | VAL | 0 | 0.009 | 0.008 | 11.139 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | GLN | 0 | -0.071 | -0.034 | 10.046 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | VAL | 0 | -0.043 | -0.022 | 7.596 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | LEU | 0 | 0.018 | 0.014 | 10.771 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | THR | 0 | 0.021 | -0.018 | 14.311 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | LYS | 1 | 0.860 | 0.945 | 8.082 | -1.400 | -1.400 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | ILE | 0 | 0.005 | 0.012 | 11.904 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | VAL | 0 | 0.010 | 0.012 | 15.033 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | VAL | 0 | 0.022 | 0.009 | 17.034 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | THR | 0 | -0.073 | -0.053 | 14.657 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | ILE | 0 | -0.019 | -0.006 | 17.894 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | TYR | 0 | 0.007 | -0.004 | 20.492 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | GLN | 0 | -0.070 | -0.039 | 18.436 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | HIS | 0 | -0.101 | -0.045 | 17.808 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | ASP | -1 | -0.944 | -0.964 | 22.455 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | GLY | 0 | 0.007 | 0.013 | 22.174 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | PRO | 0 | -0.032 | -0.015 | 21.550 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | MET | 0 | 0.023 | 0.002 | 23.485 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | GLU | -1 | -0.903 | -0.960 | 25.369 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | TRP | 0 | -0.036 | -0.016 | 20.709 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | ILE | 0 | -0.007 | 0.000 | 21.721 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | PRO | 0 | -0.014 | -0.008 | 22.492 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | SER | 0 | 0.048 | 0.037 | 22.688 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | ILE | 0 | -0.001 | -0.002 | 16.944 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | MET | 0 | 0.010 | 0.009 | 18.951 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | GLU | -1 | -0.949 | -0.974 | 21.261 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | ASP | -1 | -0.836 | -0.894 | 17.847 | 0.441 | 0.441 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | ALA | 0 | -0.006 | -0.001 | 17.487 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | MET | 0 | 0.005 | -0.002 | 18.457 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | TYR | 0 | -0.031 | -0.006 | 20.330 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | ILE | 0 | 0.023 | 0.009 | 14.755 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | ALA | 0 | 0.052 | 0.028 | 18.598 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | LYS | 1 | 0.898 | 0.963 | 20.364 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | LYS | 1 | 0.840 | 0.899 | 19.955 | -0.332 | -0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | LEU | 0 | 0.008 | 0.002 | 16.647 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | ARG | 1 | 0.886 | 0.954 | 20.058 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | ASP | -1 | -0.782 | -0.876 | 20.189 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | PRO | 0 | 0.041 | 0.020 | 21.775 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | ALA | 0 | 0.033 | 0.024 | 21.407 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | ASN | 0 | -0.035 | -0.054 | 15.963 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | LYS | 1 | 0.755 | 0.891 | 18.600 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | ALA | 0 | 0.049 | 0.033 | 20.978 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | VAL | 0 | -0.011 | 0.008 | 16.613 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | ALA | 0 | -0.002 | -0.005 | 17.558 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | TYR | 0 | -0.040 | -0.042 | 18.545 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | SER | 0 | 0.002 | -0.016 | 20.119 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | ILE | 0 | -0.034 | -0.002 | 15.190 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | ILE | 0 | 0.001 | 0.011 | 18.520 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | ALA | 0 | 0.002 | 0.008 | 20.767 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | SER | 0 | -0.006 | -0.026 | 19.025 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | THR | 0 | -0.033 | -0.041 | 17.390 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | LEU | 0 | 0.015 | 0.003 | 20.661 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | ALA | 0 | 0.020 | 0.014 | 24.327 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | ILE | 0 | -0.087 | -0.037 | 20.311 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | MET | 0 | -0.080 | -0.029 | 22.935 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | GLU | -1 | -0.926 | -0.965 | 25.575 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | TYR | 0 | -0.036 | -0.002 | 27.181 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | GLU | -1 | -0.865 | -0.915 | 28.819 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | GLU | -1 | -0.966 | -0.980 | 30.623 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | ASP | -1 | -0.862 | -0.941 | 28.382 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | ALA | 0 | -0.009 | -0.003 | 26.567 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | MET | 0 | -0.005 | -0.003 | 27.554 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | ASP | -1 | -0.808 | -0.843 | 30.314 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | PHE | 0 | -0.013 | -0.027 | 23.987 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | PHE | 0 | 0.040 | -0.003 | 23.077 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | ASN | 0 | -0.068 | -0.037 | 27.345 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | ARG | 1 | 0.820 | 0.880 | 27.315 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | ALA | 0 | -0.032 | -0.011 | 24.679 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | ILE | 0 | -0.006 | -0.006 | 26.395 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | ASP | -1 | -0.909 | -0.948 | 29.294 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | GLU | -1 | -0.837 | -0.928 | 25.479 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | ALA | 0 | 0.011 | -0.010 | 26.021 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | ASN | 0 | -0.070 | -0.051 | 27.244 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | GLU | -1 | -0.894 | -0.932 | 28.856 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | ILE | 0 | -0.106 | -0.034 | 24.799 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | GLU | -1 | -0.907 | -0.949 | 28.402 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | SER | 0 | -0.021 | -0.007 | 27.329 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | PRO | 0 | 0.048 | 0.013 | 28.638 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | ILE | 0 | 0.003 | -0.017 | 25.370 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | GLU | -1 | -0.933 | -0.962 | 23.142 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | LYS | 1 | 0.876 | 0.949 | 24.225 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | GLY | 0 | 0.056 | 0.027 | 26.106 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | MET | 0 | -0.041 | -0.003 | 20.785 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | VAL | 0 | 0.001 | 0.021 | 21.313 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | LEU | 0 | 0.043 | 0.022 | 22.522 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | SER | 0 | -0.013 | -0.025 | 22.605 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | THR | 0 | -0.059 | -0.040 | 17.459 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | LEU | 0 | 0.012 | 0.007 | 20.070 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | ALA | 0 | 0.015 | 0.016 | 22.548 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | TYR | 0 | -0.015 | -0.014 | 15.197 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | HIS | 0 | 0.025 | 0.021 | 16.263 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | LEU | 0 | 0.031 | 0.021 | 20.720 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | ALA | 0 | -0.032 | -0.020 | 22.402 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | ILE | 0 | -0.088 | -0.048 | 17.989 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | ALA | 0 | 0.002 | -0.002 | 21.233 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | GLY | 0 | -0.020 | 0.013 | 23.872 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | TYR | 0 | -0.050 | -0.057 | 26.464 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | PRO | 0 | -0.004 | -0.010 | 27.791 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | ASP | -1 | -0.889 | -0.950 | 28.795 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | ASN | 0 | 0.009 | -0.024 | 29.901 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | ALA | 0 | 0.007 | 0.015 | 25.670 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | LEU | 0 | -0.040 | -0.031 | 27.442 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | GLU | -1 | -0.891 | -0.926 | 29.693 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | ILE | 0 | 0.015 | 0.002 | 26.888 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | PHE | 0 | 0.008 | -0.018 | 22.129 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | ASN | 0 | -0.095 | -0.042 | 27.631 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | ILE | 0 | 0.044 | 0.025 | 31.035 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | ALA | 0 | -0.025 | 0.011 | 26.278 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | PHE | 0 | -0.004 | -0.021 | 28.410 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | ASP | -1 | -0.852 | -0.935 | 29.749 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | THR | 0 | -0.060 | -0.038 | 30.104 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | ILE | 0 | -0.034 | -0.001 | 25.817 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | ILE | 0 | -0.041 | -0.023 | 30.459 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | GLY | 0 | 0.019 | 0.019 | 33.311 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | ALA | 0 | -0.009 | 0.017 | 32.623 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | GLU | -1 | -0.955 | -0.976 | 34.711 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | THR | 0 | -0.026 | -0.011 | 31.459 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | SER | 0 | -0.009 | -0.015 | 34.108 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | TYR | 0 | 0.046 | 0.014 | 32.904 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | THR | 0 | 0.013 | -0.008 | 30.320 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | HIS | 0 | 0.010 | 0.001 | 28.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | LYS | 1 | 0.849 | 0.928 | 27.770 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | VAL | 0 | -0.009 | 0.008 | 26.820 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | ASP | -1 | -0.895 | -0.950 | 22.746 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | GLY | 0 | 0.020 | 0.001 | 22.954 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | ILE | 0 | 0.035 | 0.009 | 24.023 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | LEU | 0 | -0.011 | -0.015 | 23.157 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | ARG | 1 | 0.860 | 0.928 | 14.040 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | ILE | 0 | 0.034 | 0.013 | 20.693 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | GLY | 0 | 0.030 | 0.021 | 23.177 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | ASP | -1 | -0.829 | -0.897 | 17.993 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | LEU | 0 | -0.040 | -0.018 | 17.073 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | LEU | 0 | 0.009 | 0.026 | 19.994 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | GLU | -1 | -0.835 | -0.916 | 20.809 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | LYS | 1 | 0.813 | 0.908 | 14.852 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | ALA | 0 | 0.076 | 0.045 | 19.030 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | GLY | 0 | 0.054 | 0.033 | 21.529 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | ASP | -1 | -0.891 | -0.926 | 19.688 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | THR | 0 | -0.098 | -0.059 | 18.197 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | LEU | 0 | 0.062 | 0.056 | 21.313 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | PRO | 0 | 0.014 | 0.015 | 25.154 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | SER | 0 | -0.020 | -0.033 | 28.178 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | ASN | 0 | -0.081 | -0.054 | 30.238 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | GLU | -1 | -0.809 | -0.894 | 29.075 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | ALA | 0 | -0.027 | -0.016 | 26.533 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | MET | 0 | -0.019 | -0.012 | 27.886 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | ASP | -1 | -0.794 | -0.887 | 30.859 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | PHE | 0 | 0.042 | 0.039 | 25.390 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | TYR | 0 | -0.049 | -0.046 | 23.363 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | LYS | 1 | 0.783 | 0.870 | 27.728 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | MET | 0 | 0.033 | 0.027 | 28.719 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | ALA | 0 | 0.018 | 0.007 | 24.915 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | PHE | 0 | -0.038 | -0.021 | 26.813 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | ASP | -1 | -0.832 | -0.892 | 29.125 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | ILE | 0 | 0.024 | 0.016 | 26.139 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | PHE | 0 | -0.036 | -0.041 | 22.163 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | ASP | -1 | -0.932 | -0.960 | 27.972 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | LYS | 1 | 0.766 | 0.860 | 31.685 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | LEU | 0 | -0.030 | -0.002 | 27.985 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | HIS | 0 | -0.048 | -0.016 | 29.185 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | VAL | 0 | -0.006 | 0.009 | 25.137 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | ASN | 0 | 0.031 | -0.010 | 26.621 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | GLN | 0 | -0.027 | -0.007 | 23.932 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | ARG | 1 | 0.935 | 0.959 | 20.497 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | ALA | 0 | 0.039 | 0.033 | 24.346 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | ALA | 0 | 0.057 | 0.023 | 27.890 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | ILE | 0 | -0.061 | -0.025 | 21.987 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | VAL | 0 | 0.030 | 0.015 | 24.422 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | GLU | -1 | -0.906 | -0.951 | 26.461 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | LYS | 1 | 0.939 | 0.975 | 26.139 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | LYS | 1 | 0.750 | 0.843 | 20.366 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | ILE | 0 | 0.014 | 0.014 | 27.397 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | GLU | -1 | -0.959 | -0.979 | 30.704 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | LEU | 0 | -0.059 | -0.014 | 26.506 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | ALA | 0 | 0.020 | -0.002 | 29.068 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | LYS | 1 | 0.924 | 0.962 | 30.829 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | THR | 0 | -0.110 | -0.045 | 33.756 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | VAL | 0 | -0.047 | -0.027 | 31.165 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | TYR | 0 | -0.006 | 0.015 | 31.870 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | ASP | -1 | -0.823 | -0.911 | 33.648 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | VAL | 0 | -0.073 | -0.030 | 32.278 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | GLY | 0 | 0.021 | 0.025 | 30.235 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | LEU | 0 | -0.012 | -0.014 | 26.967 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | PRO | 0 | 0.066 | 0.055 | 22.205 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | GLN | 0 | 0.044 | 0.000 | 21.767 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | ILE | 0 | -0.017 | -0.003 | 22.801 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | ARG | 1 | 0.844 | 0.906 | 24.837 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | ALA | 0 | 0.037 | 0.020 | 19.912 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | ALA | 0 | -0.033 | -0.008 | 21.373 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | LEU | 0 | 0.022 | -0.001 | 23.696 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | LEU | 0 | 0.034 | 0.027 | 21.965 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | LYS | 1 | 0.864 | 0.932 | 17.893 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | GLY | 0 | 0.033 | 0.039 | 23.388 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | LYS | 1 | 0.803 | 0.881 | 22.656 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | ASN | 0 | 0.044 | 0.000 | 26.207 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | HIS | 0 | 0.020 | -0.011 | 29.717 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | TYR | 0 | -0.003 | 0.014 | 21.873 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | ALA | 0 | 0.045 | 0.021 | 27.433 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | LEU | 0 | 0.009 | 0.001 | 28.386 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | ALA | 0 | -0.016 | 0.004 | 29.193 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | ILE | 0 | -0.004 | -0.010 | 24.638 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | ILE | 0 | -0.006 | -0.006 | 29.233 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | LYS | 1 | 0.786 | 0.878 | 32.520 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | LYS | 1 | 0.926 | 0.980 | 27.087 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | LYS | 1 | 0.936 | 0.968 | 27.660 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | TYR | 0 | 0.037 | 0.031 | 31.876 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | SER | 0 | 0.009 | -0.005 | 36.327 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | GLY | 0 | 0.028 | 0.006 | 39.897 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | VAL | 0 | 0.017 | -0.003 | 42.385 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | MET | 0 | 0.041 | 0.030 | 37.049 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | ARG | 1 | 0.864 | 0.923 | 37.607 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | LEU | 0 | -0.003 | 0.009 | 38.698 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | ILE | 0 | -0.010 | -0.009 | 38.377 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | GLY | 0 | 0.083 | 0.029 | 36.039 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | GLU | -1 | -0.755 | -0.860 | 35.506 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | LEU | 0 | -0.029 | -0.010 | 37.037 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | GLU | -1 | -0.764 | -0.877 | 35.132 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | VAL | 0 | 0.003 | -0.002 | 31.843 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | ALA | 0 | 0.004 | 0.003 | 34.202 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | LEU | 0 | -0.030 | -0.021 | 37.068 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | TRP | 0 | 0.026 | -0.001 | 28.629 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | MET | 0 | -0.067 | -0.026 | 32.813 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | LYS | 1 | 0.820 | 0.919 | 34.432 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | ARG | 1 | 0.885 | 0.924 | 35.246 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | VAL | 0 | -0.045 | -0.012 | 30.412 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | ASN | 0 | -0.048 | -0.022 | 33.622 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | ASN | 0 | -0.022 | -0.028 | 32.948 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | MET | 0 | 0.017 | -0.016 | 35.554 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | GLU | -1 | -0.744 | -0.835 | 33.506 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | TYR | 0 | -0.006 | -0.012 | 37.651 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | LEU | 0 | -0.041 | -0.011 | 38.593 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | ASP | -1 | -0.857 | -0.931 | 39.547 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | VAL | 0 | -0.029 | -0.017 | 35.933 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | VAL | 0 | -0.024 | -0.018 | 39.286 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | ASP | -1 | -0.816 | -0.906 | 42.155 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | LYN | 0 | 0.014 | 0.014 | 38.108 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | ALA | 0 | -0.017 | -0.017 | 40.412 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | PHE | 0 | -0.056 | -0.034 | 41.802 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | GLU | -1 | -0.770 | -0.865 | 45.553 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | CYS | 0 | -0.174 | -0.068 | 41.981 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 274 | GLU | -1 | -0.822 | -0.905 | 45.777 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 275 | SER | 0 | -0.050 | -0.023 | 47.621 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 276 | PRO | 0 | -0.052 | -0.012 | 45.440 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 277 | ARG | 1 | 0.952 | 0.966 | 48.355 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 278 | PHE | 0 | 0.026 | 0.006 | 46.448 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 279 | THR | 0 | 0.024 | 0.003 | 47.473 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 280 | ASP | -1 | -0.739 | -0.888 | 49.710 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 281 | VAL | 0 | 0.046 | 0.029 | 45.528 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 282 | ASN | 0 | 0.036 | 0.028 | 44.020 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 283 | VAL | 0 | 0.017 | 0.018 | 46.576 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 284 | GLN | 0 | -0.029 | -0.030 | 48.503 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 285 | HIS | 0 | -0.013 | -0.004 | 39.816 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 286 | ILE | 0 | 0.037 | 0.018 | 44.577 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 287 | ALA | 0 | 0.002 | 0.002 | 45.803 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 288 | ARG | 1 | 0.862 | 0.939 | 41.880 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 289 | LEU | 0 | 0.045 | 0.028 | 39.934 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 290 | LEU | 0 | -0.015 | -0.011 | 43.620 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 291 | THR | 0 | -0.065 | -0.052 | 45.989 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 292 | GLU | -1 | -0.831 | -0.901 | 41.505 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 293 | LEU | 0 | 0.020 | 0.011 | 40.108 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 294 | GLY | 0 | -0.020 | 0.010 | 43.488 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 295 | ASN | 0 | 0.022 | 0.014 | 46.425 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 296 | LEU | 0 | 0.046 | 0.001 | 48.256 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 297 | ARG | 1 | 0.926 | 0.980 | 50.288 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 298 | ARG | 1 | 0.674 | 0.800 | 47.454 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 299 | ALA | 0 | 0.043 | 0.021 | 49.418 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 300 | LEU | 0 | 0.001 | -0.002 | 50.737 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 301 | LYS | 1 | 0.907 | 0.956 | 53.391 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 302 | PHE | 0 | 0.070 | 0.033 | 49.083 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 303 | ALA | 0 | 0.029 | -0.001 | 52.521 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 304 | LYS | 1 | 0.880 | 0.937 | 53.892 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 305 | GLU | -1 | -0.908 | -0.936 | 54.365 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 306 | ILE | 0 | -0.063 | -0.004 | 51.755 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 307 | GLN | 0 | -0.004 | -0.010 | 54.861 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 308 | ASN | 0 | -0.002 | 0.002 | 54.482 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 309 | ILE | 0 | 0.040 | 0.018 | 56.540 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 310 | HIS | 0 | 0.042 | 0.044 | 56.316 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 311 | LYS | 1 | 0.871 | 0.906 | 50.695 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 312 | ARG | 1 | 0.857 | 0.931 | 53.862 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 313 | SER | 0 | -0.009 | -0.023 | 56.279 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 314 | GLU | -1 | -0.810 | -0.890 | 51.957 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 315 | ALA | 0 | 0.010 | 0.006 | 52.131 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 316 | LEU | 0 | -0.024 | -0.012 | 53.089 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 317 | LYS | 1 | 0.802 | 0.883 | 54.822 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 318 | ALA | 0 | -0.011 | -0.006 | 50.624 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 319 | ILE | 0 | -0.008 | -0.013 | 52.011 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 320 | ALA | 0 | 0.003 | 0.004 | 53.692 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 321 | LEU | 0 | 0.014 | 0.007 | 53.742 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 322 | GLU | -1 | -0.822 | -0.883 | 49.094 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 323 | LEU | 0 | -0.059 | -0.046 | 52.567 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 324 | VAL | 0 | 0.009 | 0.009 | 55.452 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 325 | ARG | 1 | 0.918 | 0.954 | 50.070 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 326 | ARG | 1 | 0.774 | 0.883 | 49.027 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 327 | LYS | 1 | 0.879 | 0.954 | 54.307 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 328 | LYS | 1 | 0.877 | 0.899 | 55.634 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 329 | PHE | 0 | 0.063 | 0.024 | 59.097 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 330 | GLU | -1 | -0.814 | -0.886 | 60.654 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 331 | GLU | -1 | -0.848 | -0.917 | 59.895 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 332 | VAL | 0 | -0.014 | 0.012 | 59.021 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 333 | LYS | 1 | 0.930 | 0.979 | 61.305 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 334 | LYS | 1 | 0.934 | 0.945 | 64.027 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 335 | ILE | 0 | -0.046 | -0.017 | 57.842 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 336 | ILE | 0 | 0.021 | 0.009 | 60.166 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 337 | GLU | -1 | -0.943 | -0.990 | 62.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 338 | SER | 0 | -0.068 | -0.030 | 62.155 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 339 | ILE | 0 | -0.048 | -0.007 | 59.592 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 340 | PRO | 0 | -0.044 | -0.026 | 60.405 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 341 | ASP | -1 | -0.827 | -0.906 | 60.765 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 342 | PRO | 0 | 0.032 | 0.004 | 62.766 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 343 | LYS | 1 | 0.895 | 0.941 | 58.987 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 344 | ILE | 0 | -0.002 | -0.014 | 57.085 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 345 | ARG | 1 | 0.837 | 0.913 | 60.196 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 346 | GLU | -1 | -0.810 | -0.901 | 62.617 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 347 | GLU | -1 | -0.830 | -0.876 | 57.791 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 348 | ALA | 0 | 0.008 | -0.003 | 58.808 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 349 | LEU | 0 | -0.056 | -0.026 | 59.791 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 350 | ASN | 0 | -0.051 | -0.040 | 62.236 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 351 | GLU | -1 | -0.814 | -0.895 | 55.977 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 352 | ILE | 0 | -0.056 | -0.038 | 58.186 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 353 | GLY | 0 | -0.047 | -0.010 | 60.153 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 354 | THR | 0 | -0.061 | -0.018 | 56.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 355 | ILE | 0 | -0.025 | -0.014 | 59.475 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 356 | GLU | -1 | -0.944 | -0.971 | 55.289 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |