FMODB ID: 1JQ5Z
Calculation Name: 3V1Z-A-Xray313
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3V1Z
Chain ID: A
UniProt ID: Q8RT53
Base Structure: X-ray
Registration Date: 2021-09-06
Reference: C. Watanabe, S. Koyama, K. Kamisaka, D. Takaya, T. Honma et. al., Interaction energy analysis of Apo structure dataset on FMODB, To be pubulished.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 1.20200116 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 292 |
LigandCharge | |
Software | ABINIT-MP - Open Ver.1 Rev. 15 / 20190524 |
Total energy (hartree)
FMO2-HF: Electronic energy | -4215495.777586 |
---|---|
FMO2-HF: Nuclear repulsion | 4099636.13795 |
FMO2-HF: Total energy | -115859.639636 |
FMO2-MP2: Total energy | -116202.205837 |
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(A:2:ACE )
Summations of interaction energy for
fragment #1(A:2:ACE )
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. |
0.7 | 1.897 | 0.001 | -0.578 | -0.62 | 0 |
Interaction energy analysis for fragmet #1(A:2:ACE )
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 | 4 | ASN | 0 | -0.012 | -0.011 | 3.622 | 0.423 | 1.620 | 0.001 | -0.578 | -0.620 | 0.000 |
4 | A | 5 | LEU | 0 | 0.064 | 0.029 | 5.718 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 6 | THR | 0 | -0.005 | -0.011 | 8.788 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 7 | ASN | 0 | 0.000 | 0.003 | 8.934 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 8 | SER | 0 | -0.058 | -0.024 | 10.921 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 9 | ASN | 0 | 0.029 | 0.005 | 12.128 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 10 | CYS | 0 | -0.040 | 0.002 | 14.294 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 11 | VAL | 0 | -0.018 | -0.006 | 16.615 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 12 | GLU | -1 | -0.833 | -0.929 | 18.621 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 13 | GLU | -1 | -0.893 | -0.946 | 20.958 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 14 | TYR | 0 | -0.051 | -0.025 | 23.636 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 15 | LYS | 1 | 0.981 | 0.986 | 27.343 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 16 | GLU | -1 | -0.905 | -0.960 | 30.630 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 17 | ASN | 0 | 0.000 | -0.003 | 33.697 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 18 | GLY | 0 | 0.009 | 0.006 | 34.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 19 | LYS | 1 | 0.913 | 0.967 | 31.707 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 20 | THR | 0 | 0.031 | 0.009 | 25.411 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 21 | LYS | 1 | 0.913 | 0.963 | 27.599 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 22 | ILE | 0 | 0.041 | 0.027 | 20.282 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 23 | ARG | 1 | 0.842 | 0.917 | 23.437 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 24 | ILE | 0 | 0.016 | 0.013 | 20.401 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 25 | LYS | 1 | 0.860 | 0.938 | 19.719 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 26 | PRO | 0 | 0.047 | 0.018 | 19.880 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 27 | PHE | 0 | 0.088 | 0.018 | 20.538 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 28 | ASN | 0 | 0.000 | -0.003 | 17.034 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 29 | ALA | 0 | 0.001 | -0.001 | 15.689 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 30 | LEU | 0 | -0.027 | -0.006 | 15.666 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 31 | ILE | 0 | 0.012 | 0.009 | 15.679 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 32 | GLU | -1 | -0.778 | -0.862 | 11.683 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 33 | LEU | 0 | -0.047 | -0.010 | 11.326 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 34 | TYR | 0 | -0.069 | -0.064 | 13.323 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 35 | HIS | 0 | 0.035 | 0.031 | 10.490 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 36 | HIS | 0 | -0.051 | -0.028 | 10.878 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 37 | GLN | 0 | 0.008 | -0.008 | 15.611 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 38 | THR | 0 | 0.001 | 0.013 | 17.647 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 39 | PRO | 0 | -0.027 | -0.013 | 19.558 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 40 | THR | 0 | 0.017 | 0.021 | 19.826 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 41 | GLY | 0 | 0.039 | 0.022 | 21.534 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 42 | SER | 0 | 0.030 | 0.003 | 23.494 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 43 | ILE | 0 | 0.033 | 0.020 | 23.348 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 44 | LYS | 1 | 0.932 | 0.962 | 24.026 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 45 | GLU | -1 | -0.869 | -0.940 | 21.203 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 46 | ASN | 0 | -0.018 | 0.007 | 19.216 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 47 | LEU | 0 | -0.036 | -0.016 | 19.655 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 48 | ASP | -1 | -0.823 | -0.913 | 21.196 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 49 | LYS | 1 | 0.916 | 0.971 | 13.341 | 0.303 | 0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 50 | LEU | 0 | 0.001 | -0.005 | 16.112 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 51 | GLU | -1 | -0.872 | -0.939 | 17.389 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 52 | ASN | 0 | -0.038 | -0.043 | 16.414 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 53 | TYR | 0 | 0.020 | 0.018 | 9.727 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 54 | VAL | 0 | 0.029 | -0.005 | 13.854 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 55 | LYS | 1 | 0.855 | 0.933 | 16.363 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 56 | ASP | -1 | -0.904 | -0.947 | 12.173 | -0.511 | -0.511 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 57 | VAL | 0 | -0.031 | -0.016 | 11.729 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 58 | VAL | 0 | -0.023 | -0.023 | 13.657 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 59 | LYS | 1 | 0.938 | 0.988 | 15.345 | 0.321 | 0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 60 | ALA | 0 | -0.018 | -0.006 | 11.690 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 61 | LYS | 1 | 0.856 | 0.932 | 13.596 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 62 | GLY | 0 | -0.007 | 0.019 | 15.901 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 63 | LEU | 0 | -0.043 | -0.023 | 18.770 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 64 | ALA | 0 | -0.019 | -0.011 | 21.041 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 65 | ILE | 0 | 0.016 | 0.003 | 21.855 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 66 | PRO | 0 | 0.001 | 0.003 | 21.669 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 67 | THR | 0 | 0.042 | 0.016 | 24.650 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 68 | SER | 0 | 0.069 | 0.019 | 27.150 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 69 | GLY | 0 | 0.037 | 0.026 | 28.904 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 70 | ALA | 0 | 0.019 | 0.011 | 26.029 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 71 | PHE | 0 | 0.059 | 0.021 | 20.900 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 72 | SER | 0 | -0.040 | -0.013 | 25.947 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 73 | ASN | 0 | -0.055 | -0.017 | 28.413 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 74 | THR | 0 | 0.017 | -0.006 | 22.330 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 75 | ARG | 1 | 0.830 | 0.890 | 24.189 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 76 | GLY | 0 | -0.013 | 0.004 | 25.843 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 77 | THR | 0 | 0.057 | 0.034 | 25.248 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 78 | TRP | 0 | -0.068 | -0.030 | 19.900 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 79 | PHE | 0 | 0.058 | 0.024 | 24.474 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 80 | GLU | -1 | -0.882 | -0.945 | 27.182 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 81 | VAL | 0 | -0.002 | -0.001 | 24.154 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 82 | MET | 0 | -0.049 | -0.022 | 21.427 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 83 | ILE | 0 | 0.018 | 0.018 | 25.737 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 84 | ALA | 0 | 0.008 | 0.003 | 29.017 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 85 | ILE | 0 | -0.011 | 0.000 | 24.462 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 86 | GLN | 0 | -0.021 | -0.018 | 27.217 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 87 | SER | 0 | -0.010 | -0.032 | 28.868 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 88 | TRP | 0 | -0.033 | -0.018 | 29.780 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 89 | ASN | 0 | 0.015 | -0.008 | 26.250 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 90 | TYR | 0 | -0.084 | -0.075 | 30.718 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 91 | ARG | 1 | 0.866 | 0.917 | 33.563 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 92 | VAL | 0 | 0.017 | 0.029 | 32.230 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 93 | LYS | 1 | 0.869 | 0.923 | 30.221 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 94 | ARG | 1 | 0.756 | 0.882 | 34.572 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 95 | GLU | -1 | -0.917 | -0.952 | 37.330 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 96 | LEU | 0 | -0.067 | -0.011 | 39.012 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 97 | ASN | 0 | -0.006 | -0.022 | 40.838 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 98 | ASP | -1 | -0.839 | -0.934 | 42.848 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 99 | TYR | 0 | 0.035 | 0.015 | 41.070 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 100 | LEU | 0 | -0.007 | -0.001 | 38.014 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 101 | ILE | 0 | -0.003 | -0.001 | 35.528 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 102 | ILE | 0 | -0.002 | 0.001 | 35.399 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 103 | LYS | 1 | 0.915 | 0.968 | 31.270 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 104 | MET | 0 | -0.021 | 0.008 | 34.429 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 105 | PRO | 0 | 0.009 | 0.023 | 35.203 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 106 | ASN | 0 | 0.066 | 0.021 | 36.189 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 107 | VAL | 0 | 0.074 | 0.014 | 38.426 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 108 | LYS | 1 | 0.899 | 0.949 | 40.979 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 109 | THR | 0 | -0.048 | -0.008 | 36.660 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 110 | PHE | 0 | -0.017 | -0.028 | 39.822 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 111 | ASP | -1 | -0.810 | -0.860 | 41.577 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 112 | PHE | 0 | 0.060 | 0.024 | 43.027 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 113 | ARG | 1 | 0.915 | 0.941 | 44.174 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 114 | LYS | 1 | 0.886 | 0.939 | 43.984 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 115 | ILE | 0 | 0.032 | 0.015 | 43.197 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 116 | PHE | 0 | -0.032 | 0.014 | 45.935 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 117 | ASP | -1 | -0.782 | -0.865 | 49.608 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 118 | ASN | 0 | 0.020 | -0.017 | 52.189 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 119 | GLU | -1 | -0.914 | -0.944 | 54.970 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 120 | THR | 0 | -0.006 | -0.040 | 53.244 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 121 | ARG | 1 | 0.844 | 0.922 | 50.296 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 122 | GLU | -1 | -0.905 | -0.959 | 54.250 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 123 | LYS | 1 | 0.915 | 0.979 | 57.319 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 124 | LEU | 0 | 0.003 | -0.008 | 51.995 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 125 | HIS | 0 | 0.009 | 0.016 | 56.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 126 | GLN | 0 | 0.002 | -0.007 | 57.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 127 | LEU | 0 | -0.014 | 0.007 | 56.453 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 128 | GLU | -1 | -0.944 | -0.978 | 54.510 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 129 | LYS | 1 | 0.946 | 0.967 | 57.812 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 130 | SER | 0 | -0.023 | 0.006 | 60.722 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 131 | LEU | 0 | 0.010 | 0.005 | 57.843 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 132 | LEU | 0 | -0.024 | -0.012 | 57.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 133 | THR | 0 | -0.084 | -0.042 | 61.698 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 134 | HIS | 0 | -0.037 | -0.016 | 64.092 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 135 | LYS | 1 | 0.958 | 0.977 | 65.931 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 136 | GLN | 0 | -0.026 | -0.012 | 62.481 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 137 | GLN | 0 | -0.005 | 0.004 | 60.538 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 138 | VAL | 0 | 0.019 | 0.018 | 58.536 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 139 | ARG | 1 | 0.955 | 0.967 | 53.720 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 140 | LEU | 0 | 0.053 | 0.023 | 52.906 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 141 | ILE | 0 | -0.031 | -0.017 | 47.835 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 142 | THR | 0 | -0.013 | -0.031 | 45.167 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 143 | SER | 0 | -0.070 | -0.021 | 40.732 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 144 | ASN | 0 | -0.027 | -0.046 | 39.929 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 145 | PRO | 0 | 0.045 | 0.030 | 40.082 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 146 | ASP | -1 | -0.821 | -0.894 | 35.025 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 147 | LEU | 0 | -0.031 | -0.023 | 33.966 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 148 | LEU | 0 | -0.012 | -0.008 | 37.291 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 149 | ILE | 0 | -0.010 | -0.003 | 39.055 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 150 | ILE | 0 | 0.002 | -0.006 | 41.484 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 151 | ARG | 1 | 0.872 | 0.939 | 43.369 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 152 | GLN | 0 | 0.024 | 0.023 | 45.505 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 153 | LYS | 1 | 0.944 | 0.963 | 45.617 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 154 | ASP | -1 | -0.909 | -0.939 | 45.762 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 155 | LEU | 0 | 0.012 | 0.008 | 43.193 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 156 | ILE | 0 | -0.064 | -0.010 | 40.082 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 157 | LYS | 1 | 0.928 | 0.986 | 37.424 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 158 | SER | 0 | -0.008 | -0.018 | 38.623 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 159 | GLU | -1 | -0.852 | -0.948 | 34.587 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 160 | TYR | 0 | -0.088 | -0.068 | 33.606 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 161 | ASN | 0 | 0.007 | 0.001 | 34.093 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 162 | LEU | 0 | 0.009 | 0.022 | 30.197 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 163 | PRO | 0 | 0.000 | 0.017 | 28.085 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 164 | ILE | 0 | -0.003 | 0.004 | 24.016 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 165 | ASN | 0 | 0.009 | -0.011 | 22.650 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 166 | LYS | 1 | 0.948 | 0.985 | 18.460 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 167 | LEU | 0 | -0.002 | 0.004 | 18.780 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 168 | THR | 0 | 0.056 | 0.019 | 18.452 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 169 | HIS | 0 | 0.021 | 0.002 | 20.460 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 170 | GLU | -1 | -0.846 | -0.937 | 22.522 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 171 | ASN | 0 | -0.050 | -0.037 | 22.586 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 172 | ILE | 0 | -0.036 | -0.021 | 21.262 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 173 | ASP | -1 | -0.878 | -0.945 | 25.460 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 174 | VAL | 0 | -0.037 | 0.002 | 28.138 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 175 | ALA | 0 | 0.003 | 0.008 | 28.529 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 176 | LEU | 0 | -0.067 | -0.032 | 27.553 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 177 | THR | 0 | -0.065 | -0.053 | 31.160 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 178 | LEU | 0 | 0.074 | 0.051 | 33.797 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 179 | PHE | 0 | -0.023 | -0.029 | 34.951 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 180 | LYS | 1 | 0.914 | 0.964 | 34.919 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 181 | ASP | -1 | -0.818 | -0.874 | 37.715 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 182 | ILE | 0 | -0.023 | -0.025 | 40.582 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 183 | GLU | -1 | -0.959 | -0.979 | 43.022 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 184 | GLY | 0 | -0.037 | -0.013 | 44.760 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 185 | LYS | 1 | 0.863 | 0.929 | 44.162 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 186 | CYS | 0 | -0.055 | 0.002 | 45.919 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 187 | LYS | 1 | 1.042 | 1.009 | 48.593 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 188 | TRP | 0 | 0.020 | -0.016 | 50.553 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 189 | ASP | -1 | -0.938 | -0.965 | 51.373 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 190 | SER | 0 | -0.006 | -0.031 | 47.780 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 191 | LEU | 0 | -0.067 | -0.007 | 44.702 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 192 | VAL | 0 | 0.028 | 0.008 | 45.039 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 193 | ALA | 0 | 0.019 | 0.005 | 43.322 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 194 | GLY | 0 | 0.022 | 0.016 | 41.549 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 195 | VAL | 0 | -0.035 | -0.023 | 37.414 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 196 | GLY | 0 | 0.013 | 0.016 | 38.206 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 197 | LEU | 0 | -0.059 | -0.043 | 32.268 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 198 | LYS | 1 | 0.900 | 0.948 | 33.682 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 199 | THR | 0 | 0.024 | 0.023 | 28.300 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 200 | SER | 0 | 0.063 | 0.052 | 31.085 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 201 | LEU | 0 | 0.052 | 0.025 | 33.749 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 202 | ARG | 1 | 0.921 | 0.949 | 34.171 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 203 | PRO | 0 | 0.044 | 0.001 | 39.972 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 204 | ASP | -1 | -0.823 | -0.905 | 41.835 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 205 | ARG | 1 | 0.872 | 0.926 | 35.239 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 206 | ARG | 1 | 0.872 | 0.937 | 41.276 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 207 | LEU | 0 | 0.045 | 0.021 | 42.162 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 208 | GLN | 0 | -0.013 | -0.013 | 40.537 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 209 | LEU | 0 | -0.006 | 0.003 | 39.340 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 210 | VAL | 0 | 0.053 | 0.031 | 43.479 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 211 | HIS | 0 | -0.054 | -0.031 | 46.586 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 212 | GLU | -1 | -0.805 | -0.889 | 42.528 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 213 | GLY | 0 | 0.046 | 0.028 | 45.981 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 214 | ASN | 0 | 0.005 | -0.010 | 47.562 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 215 | ILE | 0 | -0.040 | -0.024 | 49.077 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 216 | LEU | 0 | -0.018 | 0.000 | 44.687 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 217 | LYS | 1 | 0.767 | 0.848 | 49.014 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 218 | SER | 0 | -0.059 | -0.005 | 51.983 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 219 | LEU | 0 | -0.014 | -0.019 | 50.208 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 220 | PHE | 0 | 0.018 | 0.007 | 51.528 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 221 | ALA | 0 | 0.016 | 0.002 | 53.692 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 222 | HIS | 0 | 0.015 | 0.014 | 56.944 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 223 | LEU | 0 | -0.015 | -0.006 | 53.248 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 224 | LYS | 1 | 0.846 | 0.927 | 55.785 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 225 | MET | 0 | -0.014 | 0.004 | 58.753 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 226 | ALA | 0 | -0.022 | -0.009 | 59.978 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 227 | TYR | 0 | -0.037 | -0.028 | 56.947 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 228 | TRP | 0 | -0.038 | -0.011 | 61.449 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 229 | ASN | 0 | 0.026 | 0.021 | 58.264 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 230 | PRO | 0 | 0.010 | -0.011 | 59.719 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 231 | LYS | 1 | 0.933 | 0.952 | 58.056 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 232 | ALA | 0 | 0.015 | 0.026 | 54.389 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 233 | GLU | -1 | -0.895 | -0.958 | 51.760 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 234 | PHE | 0 | -0.016 | 0.001 | 45.456 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 235 | LYS | 1 | 0.926 | 0.980 | 46.936 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 236 | TYR | 0 | -0.002 | -0.008 | 41.723 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 237 | TYR | 0 | 0.044 | 0.029 | 41.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 238 | GLY | 0 | -0.003 | -0.003 | 39.763 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 239 | ALA | 0 | 0.037 | 0.011 | 35.310 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 240 | SER | 0 | -0.016 | -0.012 | 34.468 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 241 | SER | 0 | -0.044 | -0.027 | 29.083 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 242 | GLU | -1 | -0.933 | -0.975 | 30.644 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 243 | PRO | 0 | 0.009 | 0.005 | 32.680 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 244 | VAL | 0 | 0.011 | 0.020 | 35.725 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 245 | SER | 0 | -0.048 | -0.026 | 39.071 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 246 | LYS | 1 | 1.058 | 1.016 | 41.894 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 247 | ALA | 0 | -0.028 | -0.012 | 44.949 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 248 | ASP | -1 | -0.861 | -0.928 | 40.405 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 249 | ASP | -1 | -0.868 | -0.943 | 43.725 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 250 | ASP | -1 | -0.905 | -0.951 | 45.625 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 251 | ALA | 0 | -0.051 | -0.020 | 46.063 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 252 | LEU | 0 | -0.029 | -0.005 | 42.224 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 253 | GLN | 0 | 0.016 | 0.008 | 46.812 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 254 | THR | 0 | -0.068 | -0.047 | 49.952 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 255 | ALA | 0 | 0.004 | 0.002 | 51.370 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 256 | ALA | 0 | 0.035 | 0.014 | 52.840 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 257 | THR | 0 | -0.009 | -0.002 | 54.135 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 258 | HIS | 0 | 0.011 | 0.010 | 54.335 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 259 | THR | 0 | -0.047 | -0.035 | 56.834 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 260 | ILE | 0 | -0.005 | -0.015 | 58.389 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 261 | VAL | 0 | -0.034 | -0.001 | 61.252 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 262 | ASN | 0 | -0.011 | -0.007 | 64.311 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 263 | VAL | 0 | 0.040 | 0.014 | 65.643 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 264 | ASN | 0 | -0.036 | -0.021 | 67.040 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 265 | SER | 0 | -0.005 | 0.010 | 62.584 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 266 | THR | 0 | -0.020 | -0.008 | 59.027 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 267 | PRO | 0 | -0.017 | -0.007 | 57.816 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 268 | GLU | -1 | -0.827 | -0.898 | 52.738 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 269 | ARG | 1 | 0.910 | 0.958 | 46.409 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 270 | ALA | 0 | 0.007 | 0.007 | 49.572 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 271 | VAL | 0 | -0.033 | -0.019 | 43.780 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 272 | ASP | -1 | -0.831 | -0.901 | 46.666 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 273 | ASP | -1 | -0.833 | -0.919 | 43.494 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 274 | ILE | 0 | -0.071 | -0.025 | 38.832 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 275 | PHE | 0 | 0.034 | 0.015 | 37.203 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 276 | SER | 0 | -0.047 | -0.032 | 35.219 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 277 | LEU | 0 | -0.025 | -0.028 | 31.583 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 278 | THR | 0 | 0.037 | 0.032 | 29.354 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 279 | SER | 0 | -0.022 | -0.023 | 27.497 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 280 | PHE | 0 | 0.041 | -0.010 | 23.446 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 281 | GLU | -1 | -0.899 | -0.955 | 27.873 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 282 | ASP | -1 | -0.835 | -0.930 | 30.687 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 283 | ILE | 0 | -0.025 | 0.006 | 28.638 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 284 | ASP | -1 | -0.809 | -0.892 | 31.827 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 285 | LYS | 1 | 0.940 | 0.975 | 34.190 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 286 | MET | 0 | -0.006 | 0.013 | 34.912 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 287 | LEU | 0 | -0.041 | -0.024 | 34.391 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 288 | ASP | -1 | -0.786 | -0.858 | 38.137 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 289 | GLN | 0 | -0.041 | -0.015 | 40.300 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 290 | ILE | 0 | -0.038 | -0.020 | 39.408 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 291 | ILE | 0 | -0.068 | -0.029 | 39.684 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 292 | LYS | 1 | 0.844 | 0.931 | 41.195 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 293 | NME | 0 | 0.019 | 0.027 | 45.429 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |