FMODB ID: 9G992
Calculation Name: 2WZP-P-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2WZP
Chain ID: P
UniProt ID: D3WAD3
Base Structure: X-ray
Registration Date: 2023-06-20
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 | 298 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3948911.671762 |
---|---|
FMO2-HF: Nuclear repulsion | 3829410.167158 |
FMO2-HF: Total energy | -119501.504604 |
FMO2-MP2: Total energy | -119854.168768 |
3D Structure
Ligand structure
Ligand Interaction
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(P:1:GLY)
Summations of interaction energy for
fragment #1(P:1:GLY)
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. |
-4.128 | -1.953 | 1.045 | -1.77 | -1.45 | -0.006 |
Interaction energy analysis for fragmet #1(P:1:GLY)
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 | P | 3 | ARG | 1 | 0.965 | 0.991 | 3.621 | -0.536 | 0.337 | -0.002 | -0.584 | -0.287 | 0.002 |
4 | P | 4 | GLN | 0 | -0.065 | -0.032 | 5.306 | 0.923 | 0.923 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | P | 5 | TYR | 0 | -0.010 | -0.009 | 7.946 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | P | 6 | LYS | 1 | 0.933 | 0.970 | 9.765 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | P | 7 | ILE | 0 | 0.026 | 0.021 | 14.253 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | P | 8 | HIS | 1 | 0.768 | 0.865 | 15.148 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | P | 9 | THR | 0 | 0.039 | 0.015 | 19.893 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | P | 10 | ASN | 0 | -0.061 | -0.056 | 22.925 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | P | 11 | LEU | 0 | 0.031 | 0.022 | 18.202 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | P | 12 | ASP | -1 | -0.867 | -0.930 | 21.086 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | P | 13 | GLY | 0 | 0.011 | 0.031 | 23.145 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | P | 14 | THR | 0 | -0.030 | -0.045 | 24.680 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | P | 15 | ASP | -1 | -0.923 | -0.943 | 26.330 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | P | 16 | ASP | -1 | -0.809 | -0.884 | 20.337 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | P | 17 | LYS | 1 | 0.864 | 0.940 | 22.280 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | P | 18 | VAL | 0 | -0.022 | -0.023 | 15.653 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | P | 19 | TRP | 0 | -0.047 | -0.011 | 17.987 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | P | 20 | ASP | -1 | -0.772 | -0.913 | 11.679 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | P | 21 | VAL | 0 | -0.019 | -0.005 | 14.205 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | P | 22 | THR | 0 | -0.057 | -0.026 | 8.356 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | P | 23 | ASN | 0 | -0.048 | -0.038 | 8.352 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | P | 24 | GLY | 0 | 0.010 | 0.031 | 12.403 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | P | 25 | LYS | 1 | 0.839 | 0.905 | 15.959 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | P | 26 | VAL | 0 | 0.032 | 0.030 | 18.653 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | P | 27 | ARG | 1 | 0.837 | 0.928 | 14.173 | -0.361 | -0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | P | 28 | PHE | 0 | 0.032 | 0.017 | 15.577 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | P | 29 | TYR | 0 | -0.044 | -0.020 | 14.571 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | P | 30 | GLN | 0 | -0.004 | -0.005 | 15.867 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | P | 31 | PRO | 0 | 0.039 | 0.044 | 15.343 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | P | 32 | SER | 0 | 0.019 | 0.013 | 18.392 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | P | 33 | ASN | 0 | 0.033 | -0.002 | 20.500 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | P | 34 | LEU | 0 | 0.018 | 0.024 | 15.009 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | P | 35 | GLY | 0 | -0.010 | 0.006 | 19.055 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | P | 36 | LEU | 0 | -0.044 | -0.027 | 21.249 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | P | 37 | GLN | 0 | 0.016 | 0.008 | 24.706 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | P | 38 | SER | 0 | 0.004 | -0.011 | 28.322 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | P | 39 | THR | 0 | 0.031 | 0.020 | 30.713 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | P | 40 | ASN | 0 | 0.043 | 0.007 | 33.348 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | P | 41 | ASN | 0 | -0.059 | -0.026 | 36.808 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | P | 42 | ILE | 0 | -0.012 | 0.000 | 37.283 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | P | 43 | TRP | 0 | 0.034 | 0.033 | 41.011 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | P | 44 | GLN | 0 | -0.001 | -0.011 | 41.587 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | P | 45 | SER | 0 | -0.005 | -0.005 | 45.752 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | P | 46 | ASN | 0 | -0.033 | -0.024 | 49.325 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | P | 47 | GLY | 0 | 0.051 | 0.033 | 45.689 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | P | 48 | ILE | 0 | -0.026 | -0.017 | 44.629 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | P | 49 | GLY | 0 | 0.001 | 0.009 | 42.499 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | P | 50 | VAL | 0 | -0.023 | -0.008 | 43.553 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | P | 51 | MET | 0 | -0.015 | -0.018 | 36.436 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | P | 52 | GLY | 0 | 0.053 | 0.032 | 40.384 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | P | 53 | THR | 0 | -0.049 | -0.023 | 39.002 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | P | 54 | ARG | 1 | 0.998 | 1.001 | 28.693 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | P | 55 | SER | 0 | -0.034 | -0.011 | 33.496 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | P | 56 | ILE | 0 | 0.026 | 0.009 | 27.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | P | 57 | THR | 0 | -0.016 | -0.012 | 29.153 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | P | 58 | GLN | 0 | 0.040 | 0.006 | 23.185 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | P | 59 | PRO | 0 | -0.055 | -0.011 | 24.001 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | P | 60 | GLN | 0 | 0.017 | -0.001 | 24.745 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | P | 61 | ILE | 0 | -0.076 | -0.030 | 19.028 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | P | 62 | GLU | -1 | -0.891 | -0.943 | 22.609 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | P | 63 | PHE | 0 | -0.003 | -0.012 | 15.958 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | P | 64 | LYS | 1 | 0.890 | 0.931 | 19.992 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | P | 65 | LEU | 0 | -0.004 | -0.008 | 19.735 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | P | 66 | GLU | -1 | -0.910 | -0.960 | 19.698 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | P | 67 | THR | 0 | -0.043 | -0.043 | 20.385 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | P | 68 | PHE | 0 | -0.023 | -0.031 | 18.549 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | P | 69 | GLY | 0 | 0.030 | 0.018 | 21.804 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | P | 70 | GLU | -1 | -0.912 | -0.968 | 23.391 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | P | 71 | SER | 0 | -0.064 | -0.039 | 26.801 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | P | 72 | LEU | 0 | 0.075 | 0.026 | 29.408 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | P | 73 | GLU | -1 | -0.942 | -0.957 | 31.377 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | P | 74 | GLU | -1 | -0.798 | -0.892 | 24.892 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | P | 75 | ASN | 0 | 0.038 | 0.032 | 25.616 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | P | 76 | TYR | 0 | 0.007 | 0.002 | 27.833 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | P | 77 | GLN | 0 | -0.065 | -0.025 | 28.836 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | P | 78 | LEU | 0 | 0.002 | 0.000 | 22.661 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | P | 79 | MET | 0 | -0.001 | 0.011 | 25.573 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | P | 80 | LYS | 1 | 0.922 | 0.966 | 27.193 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | P | 81 | ASP | -1 | -0.869 | -0.941 | 26.621 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | P | 82 | PHE | 0 | 0.023 | 0.012 | 20.150 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | P | 83 | VAL | 0 | 0.028 | 0.007 | 24.929 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | P | 84 | ASN | 0 | -0.068 | -0.051 | 27.426 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | P | 85 | ASP | -1 | -0.777 | -0.881 | 25.321 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | P | 86 | ILE | 0 | -0.047 | -0.022 | 22.898 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | P | 87 | LEU | 0 | -0.041 | -0.032 | 26.525 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | P | 88 | SER | 0 | -0.079 | -0.019 | 29.047 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | P | 89 | LYS | 1 | 0.898 | 0.964 | 26.761 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | P | 90 | LYS | 1 | 0.905 | 0.962 | 29.752 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | P | 91 | PHE | 0 | -0.038 | -0.019 | 24.605 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | P | 92 | VAL | 0 | 0.021 | 0.024 | 21.652 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | P | 93 | THR | 0 | 0.003 | -0.001 | 18.615 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | P | 94 | LEU | 0 | -0.032 | -0.011 | 15.349 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | P | 95 | GLU | -1 | -0.832 | -0.901 | 11.631 | -0.401 | -0.401 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | P | 96 | TYR | 0 | -0.016 | -0.029 | 10.746 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | P | 97 | GLN | 0 | 0.009 | 0.001 | 6.960 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | P | 98 | THR | 0 | -0.022 | -0.027 | 5.778 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | P | 99 | GLU | -1 | -0.926 | -0.965 | 2.775 | -4.574 | -3.311 | 1.048 | -1.185 | -1.126 | -0.008 |
100 | P | 100 | ILE | 0 | -0.028 | -0.010 | 5.313 | 0.535 | 0.574 | -0.001 | -0.001 | -0.037 | 0.000 |
101 | P | 101 | PHE | 0 | -0.008 | 0.010 | 8.931 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | P | 102 | GLN | 0 | -0.013 | -0.023 | 9.453 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | P | 103 | VAL | 0 | -0.030 | 0.003 | 11.678 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | P | 104 | TYR | 0 | 0.005 | -0.002 | 14.535 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | P | 105 | ALA | 0 | 0.010 | -0.003 | 17.337 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | P | 106 | ASP | -1 | -0.816 | -0.862 | 20.036 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | P | 107 | LEU | 0 | -0.034 | -0.035 | 20.042 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | P | 108 | ALA | 0 | 0.079 | 0.029 | 24.279 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | P | 109 | LEU | 0 | -0.049 | -0.010 | 26.229 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | P | 110 | ALA | 0 | -0.008 | 0.003 | 27.752 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | P | 111 | ASP | -1 | -0.897 | -0.943 | 28.692 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | P | 112 | VAL | 0 | 0.019 | -0.003 | 26.847 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | P | 113 | THR | 0 | -0.036 | -0.004 | 28.682 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | P | 114 | LYS | 1 | 0.927 | 0.950 | 29.458 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | P | 115 | THR | 0 | -0.069 | -0.027 | 30.950 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | P | 116 | GLU | -1 | -0.928 | -0.971 | 32.685 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | P | 117 | GLY | 0 | 0.014 | -0.002 | 32.383 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | P | 118 | TYR | 0 | -0.093 | -0.028 | 30.006 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | P | 119 | GLY | 0 | 0.076 | 0.057 | 28.016 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | P | 120 | LYS | 1 | 0.933 | 0.949 | 24.922 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | P | 121 | ASN | 0 | -0.027 | -0.029 | 27.497 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | P | 122 | GLY | 0 | 0.038 | 0.017 | 29.592 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | P | 123 | THR | 0 | -0.055 | -0.008 | 24.730 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | P | 124 | PHE | 0 | -0.017 | -0.016 | 25.631 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | P | 125 | SER | 0 | 0.017 | -0.003 | 23.960 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | P | 126 | GLU | -1 | -0.798 | -0.891 | 24.729 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | P | 127 | LYS | 1 | 0.880 | 0.946 | 24.539 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | P | 128 | ILE | 0 | -0.007 | 0.000 | 22.025 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | P | 129 | THR | 0 | 0.036 | -0.002 | 23.971 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | P | 130 | PHE | 0 | -0.035 | -0.013 | 21.391 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | P | 131 | ASP | -1 | -0.813 | -0.905 | 25.395 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | P | 132 | ILE | 0 | -0.050 | -0.039 | 22.880 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | P | 133 | ILE | 0 | -0.018 | 0.010 | 25.428 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | P | 134 | THR | 0 | -0.076 | -0.044 | 23.731 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | P | 135 | LYS | 1 | 0.827 | 0.909 | 19.814 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | P | 136 | TRP | 0 | -0.009 | 0.004 | 16.195 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | P | 137 | TYR | 0 | 0.003 | -0.030 | 19.096 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | P | 138 | THR | 0 | 0.014 | -0.002 | 16.671 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | P | 139 | TYR | 0 | 0.029 | 0.012 | 19.353 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | P | 140 | GLU | -1 | -0.847 | -0.913 | 21.011 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | P | 141 | ASN | 0 | -0.026 | -0.017 | 23.594 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | P | 142 | LEU | 0 | -0.005 | 0.011 | 26.070 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | P | 143 | THR | 0 | -0.022 | -0.029 | 29.105 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | P | 144 | PHE | 0 | -0.023 | 0.001 | 31.943 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | P | 145 | ASP | -1 | -0.858 | -0.960 | 35.633 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | P | 146 | LYS | 1 | 0.853 | 0.915 | 38.564 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | P | 147 | ILE | 0 | -0.041 | -0.010 | 39.829 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | P | 148 | GLN | 0 | -0.041 | -0.024 | 43.177 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | P | 149 | ASN | 0 | 0.021 | 0.019 | 46.018 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | P | 150 | GLY | 0 | 0.036 | 0.022 | 47.795 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | P | 151 | LYS | 1 | 0.946 | 0.956 | 50.642 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | P | 152 | VAL | 0 | 0.014 | 0.009 | 53.085 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | P | 153 | ILE | 0 | -0.004 | -0.011 | 55.154 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | P | 154 | ALA | 0 | 0.027 | 0.013 | 57.734 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | P | 155 | GLY | 0 | -0.004 | -0.006 | 59.239 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | P | 156 | MET | 0 | -0.014 | 0.000 | 55.527 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | P | 157 | SER | 0 | 0.032 | 0.028 | 53.249 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | P | 158 | LYS | 1 | 0.891 | 0.967 | 48.494 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | P | 159 | ILE | 0 | -0.004 | -0.010 | 52.323 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | P | 160 | TYR | 0 | 0.019 | 0.016 | 51.727 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | P | 161 | GLY | 0 | 0.034 | 0.030 | 57.386 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | P | 162 | GLY | 0 | -0.009 | -0.007 | 60.442 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | P | 163 | THR | 0 | 0.029 | 0.010 | 64.128 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | P | 164 | ALA | 0 | 0.032 | 0.023 | 64.073 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | P | 165 | PRO | 0 | -0.037 | -0.018 | 60.842 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | P | 166 | GLY | 0 | 0.042 | 0.025 | 60.227 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | P | 167 | ASN | 0 | -0.085 | -0.062 | 58.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | P | 168 | TYR | 0 | 0.020 | 0.019 | 52.877 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | P | 169 | LYS | 1 | 0.927 | 0.952 | 57.601 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | P | 170 | TYR | 0 | 0.038 | 0.030 | 51.397 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | P | 171 | ILE | 0 | 0.047 | 0.028 | 56.722 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | P | 172 | LYS | 1 | 1.004 | 0.979 | 56.537 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | P | 173 | GLY | 0 | 0.034 | 0.020 | 54.738 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | P | 174 | THR | 0 | -0.040 | -0.013 | 55.597 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | P | 175 | SER | 0 | -0.066 | -0.105 | 54.100 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | P | 176 | TYR | 0 | 0.017 | 0.049 | 48.904 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | P | 177 | THR | 0 | -0.002 | 0.022 | 50.117 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | P | 178 | TYR | 0 | 0.042 | 0.003 | 46.097 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | P | 179 | TYR | 0 | -0.033 | -0.017 | 48.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | P | 180 | GLY | 0 | 0.035 | 0.003 | 46.373 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | P | 181 | GLU | -1 | -0.901 | -0.940 | 40.108 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | P | 182 | SER | 0 | -0.012 | -0.009 | 42.606 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | P | 183 | ASP | -1 | -0.801 | -0.917 | 40.364 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | P | 184 | ILE | 0 | -0.007 | -0.004 | 40.875 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | P | 185 | ASP | -1 | -0.819 | -0.910 | 40.809 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | P | 186 | ARG | 1 | 0.905 | 0.967 | 36.171 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | P | 187 | LEU | 0 | -0.016 | 0.004 | 35.896 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | P | 188 | SER | 0 | -0.088 | -0.046 | 36.590 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | P | 189 | ARG | 1 | 0.867 | 0.929 | 36.953 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | P | 190 | TRP | 0 | 0.035 | 0.022 | 29.177 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | P | 191 | ASP | -1 | -0.823 | -0.910 | 31.898 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | P | 192 | ILE | 0 | -0.024 | 0.000 | 30.765 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | P | 193 | LYS | 1 | 0.859 | 0.904 | 27.922 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | P | 194 | GLU | -1 | -0.954 | -0.985 | 23.734 | -0.254 | -0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | P | 195 | GLU | -1 | -0.854 | -0.915 | 26.262 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | P | 196 | ILE | 0 | -0.050 | -0.027 | 26.012 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | P | 197 | PHE | 0 | -0.064 | -0.036 | 23.191 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | P | 198 | SER | 0 | -0.012 | -0.007 | 28.167 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | P | 199 | PHE | 0 | 0.010 | -0.005 | 28.769 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | P | 200 | MET | 0 | 0.011 | 0.021 | 30.177 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | P | 201 | GLY | 0 | 0.025 | 0.010 | 31.522 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | P | 202 | ILE | 0 | -0.021 | 0.008 | 34.026 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | P | 203 | LEU | 0 | 0.004 | -0.002 | 36.413 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | P | 204 | TYR | 0 | 0.073 | 0.032 | 37.139 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | P | 205 | PRO | 0 | 0.006 | -0.004 | 41.971 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | P | 206 | LYS | 1 | 0.910 | 0.969 | 45.440 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | P | 207 | LEU | 0 | -0.037 | -0.026 | 47.726 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | P | 208 | PRO | 0 | 0.063 | 0.024 | 51.126 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | P | 209 | LYS | 1 | 0.917 | 0.945 | 53.169 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | P | 210 | THR | 0 | -0.016 | -0.003 | 51.310 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | P | 211 | PRO | 0 | 0.003 | 0.004 | 49.685 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | P | 212 | ALA | 0 | 0.005 | -0.003 | 45.382 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | P | 213 | GLY | 0 | 0.026 | 0.011 | 42.660 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | P | 214 | VAL | 0 | -0.003 | 0.003 | 38.136 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | P | 215 | ARG | 1 | 0.843 | 0.912 | 41.214 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | P | 216 | PHE | 0 | -0.007 | 0.001 | 34.840 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | P | 217 | LEU | 0 | -0.015 | -0.013 | 39.494 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | P | 218 | ASP | -1 | -0.797 | -0.903 | 38.816 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | P | 219 | ASP | -1 | -0.909 | -0.973 | 37.177 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | P | 220 | ILE | 0 | -0.095 | -0.033 | 39.020 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | P | 221 | GLY | 0 | -0.027 | -0.005 | 41.860 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | P | 222 | ASN | 0 | -0.031 | -0.017 | 43.326 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | P | 223 | GLU | -1 | -0.811 | -0.884 | 43.344 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | P | 224 | TYR | 0 | 0.012 | 0.018 | 36.837 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | P | 225 | THR | 0 | -0.037 | -0.041 | 39.344 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | P | 226 | ALA | 0 | -0.002 | 0.003 | 41.959 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | P | 227 | ILE | 0 | 0.011 | 0.030 | 38.386 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | P | 228 | VAL | 0 | -0.024 | -0.018 | 42.491 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | P | 229 | PHE | 0 | 0.046 | 0.020 | 42.117 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | P | 230 | LYS | 1 | 0.920 | 0.959 | 47.583 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | P | 231 | THR | 0 | 0.006 | 0.007 | 48.357 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | P | 232 | GLU | -1 | -0.930 | -0.966 | 51.444 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | P | 233 | GLN | 0 | -0.037 | -0.019 | 52.517 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | P | 234 | VAL | 0 | -0.007 | -0.012 | 49.498 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | P | 235 | GLN | 0 | -0.007 | -0.009 | 45.714 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | P | 236 | ASP | -1 | -0.856 | -0.921 | 44.249 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | P | 237 | TYR | 0 | -0.021 | -0.018 | 38.619 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | P | 238 | ILE | 0 | -0.030 | -0.013 | 40.883 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | P | 239 | LEU | 0 | -0.013 | 0.008 | 34.751 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | P | 240 | ILE | 0 | -0.016 | -0.021 | 35.995 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | P | 241 | ASN | 0 | 0.060 | 0.014 | 31.240 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | P | 242 | THR | 0 | 0.046 | 0.024 | 33.463 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | P | 243 | ASP | -1 | -0.881 | -0.936 | 29.922 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | P | 244 | VAL | 0 | 0.000 | -0.017 | 32.312 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | P | 245 | ASN | 0 | -0.065 | -0.029 | 30.766 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | P | 246 | ASP | -1 | -0.958 | -0.989 | 32.225 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | P | 247 | GLU | -1 | -0.846 | -0.873 | 34.186 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | P | 248 | THR | 0 | -0.044 | -0.019 | 36.251 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | P | 249 | TYR | 0 | -0.016 | -0.040 | 38.242 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | P | 250 | GLN | 0 | 0.013 | 0.010 | 38.783 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | P | 251 | GLY | 0 | 0.003 | 0.014 | 41.548 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | P | 252 | TRP | 0 | 0.004 | 0.001 | 39.329 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | P | 253 | LYS | 1 | 0.903 | 0.953 | 43.916 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | P | 254 | GLY | 0 | 0.002 | -0.004 | 46.104 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | P | 255 | THR | 0 | -0.035 | -0.029 | 43.071 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | P | 256 | THR | 0 | -0.014 | 0.001 | 44.445 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | P | 257 | ALA | 0 | 0.023 | 0.026 | 42.600 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | P | 258 | LEU | 0 | 0.000 | -0.009 | 44.554 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | P | 259 | ASN | 0 | 0.019 | 0.000 | 44.668 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | P | 260 | LEU | 0 | -0.003 | -0.019 | 44.549 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | P | 261 | PHE | 0 | 0.054 | 0.040 | 43.653 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | P | 262 | PRO | 0 | -0.059 | -0.046 | 45.906 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | P | 263 | VAL | 0 | -0.030 | -0.017 | 48.511 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | P | 264 | MET | 0 | -0.034 | 0.010 | 42.850 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | P | 265 | ASP | -1 | -0.910 | -0.949 | 47.752 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | P | 266 | PHE | 0 | -0.023 | -0.038 | 47.184 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | P | 267 | GLU | -1 | -0.950 | -0.958 | 47.729 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | P | 268 | ARG | 1 | 0.842 | 0.897 | 46.543 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | P | 269 | TYR | 0 | -0.085 | -0.036 | 39.033 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | P | 270 | ARG | 1 | 0.953 | 0.977 | 43.747 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | P | 271 | THR | 0 | -0.014 | -0.021 | 39.386 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | P | 272 | ARG | 1 | 1.009 | 1.023 | 35.402 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | P | 273 | ILE | 0 | -0.078 | -0.036 | 34.442 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | P | 274 | ILE | 0 | -0.033 | -0.010 | 32.893 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | P | 275 | GLU | -1 | -0.895 | -0.945 | 33.178 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | P | 276 | LYS | 1 | 0.899 | 0.943 | 29.669 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | P | 277 | GLY | 0 | 0.044 | 0.021 | 33.922 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | P | 278 | GLN | 0 | -0.028 | -0.013 | 35.019 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | P | 279 | MET | 0 | -0.032 | 0.013 | 35.679 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | P | 280 | GLU | -1 | -0.876 | -0.944 | 37.653 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | P | 281 | LEU | 0 | 0.022 | 0.005 | 38.000 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | P | 282 | ILE | 0 | -0.029 | -0.015 | 41.623 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | P | 283 | ASN | 0 | -0.025 | -0.018 | 45.084 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | P | 284 | LEU | 0 | 0.043 | 0.035 | 40.347 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | P | 285 | SER | 0 | -0.132 | -0.069 | 43.271 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | P | 286 | LYS | 1 | 0.966 | 0.992 | 35.792 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | P | 287 | ALA | 0 | -0.007 | -0.002 | 36.393 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | P | 288 | GLU | -1 | -0.874 | -0.899 | 31.913 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | P | 289 | PHE | 0 | 0.030 | -0.008 | 30.462 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | P | 290 | LYS | 1 | 0.844 | 0.925 | 24.136 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | P | 291 | ILE | 0 | -0.006 | -0.013 | 26.369 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | P | 292 | LYS | 1 | 0.946 | 0.999 | 24.054 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | P | 293 | ARG | 1 | 0.886 | 0.927 | 21.817 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | P | 294 | LYS | 1 | 0.874 | 0.930 | 22.768 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | P | 295 | ALA | 0 | 0.009 | 0.005 | 19.537 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | P | 296 | ASP | -1 | -0.877 | -0.931 | 21.127 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | P | 297 | PHE | 0 | -0.023 | -0.024 | 17.290 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | P | 298 | VAL | 0 | 0.007 | 0.020 | 13.842 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |