![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: KG833
Calculation Name: 3G87-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3G87
Chain ID: A
UniProt ID: Q3JF88
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 | OptHSide |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 290 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4050261.957029 |
---|---|
FMO2-HF: Nuclear repulsion | 3938708.359553 |
FMO2-HF: Total energy | -111553.597476 |
FMO2-MP2: Total energy | -111877.615261 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F034628/ligand_interaction/ligand_F034628.png)
Ligand Interaction
![ligand interaction](./Kdata/F034628/ligand_interaction/ligand_interaction_F034628.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:4:SER)
Summations of interaction energy for
fragment #1(A:4:SER)
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. |
-10.228 | -5.426 | 6.87 | -5.429 | -6.244 | -0.037 |
Interaction energy analysis for fragmet #1(A:4:SER)
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 | 6 | LEU | 0 | 0.003 | 0.038 | 3.906 | -0.772 | 0.456 | -0.012 | -0.480 | -0.737 | 0.001 |
4 | A | 7 | ASN | 0 | 0.037 | -0.007 | 4.434 | -1.646 | -1.530 | -0.001 | -0.018 | -0.097 | 0.000 |
5 | A | 8 | THR | 0 | -0.032 | -0.007 | 6.312 | 0.939 | 0.939 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 9 | PHE | 0 | 0.022 | 0.021 | 8.526 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 10 | MET | 0 | -0.034 | -0.013 | 10.820 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 11 | PHE | 0 | 0.038 | 0.025 | 13.729 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 12 | PRO | 0 | 0.038 | 0.026 | 17.226 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 13 | GLY | 0 | 0.042 | 0.022 | 19.412 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 14 | GLN | 0 | 0.000 | -0.015 | 22.967 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 15 | GLY | 0 | -0.059 | -0.033 | 25.465 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 16 | SER | 0 | -0.021 | -0.008 | 21.728 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 17 | GLN | 0 | 0.071 | 0.048 | 23.708 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 18 | ALA | 0 | 0.005 | -0.023 | 26.175 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 19 | LYS | 1 | 0.862 | 0.936 | 27.848 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 20 | GLY | 0 | 0.007 | 0.000 | 28.371 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 21 | MET | 0 | -0.080 | -0.007 | 24.683 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 22 | GLY | 0 | 0.029 | -0.002 | 23.916 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 23 | GLY | 0 | 0.015 | 0.008 | 24.526 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 24 | ALA | 0 | 0.023 | -0.007 | 25.539 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 25 | LEU | 0 | -0.004 | -0.001 | 20.620 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 26 | PHE | 0 | 0.002 | -0.002 | 24.746 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 27 | ASP | -1 | -0.779 | -0.861 | 28.018 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 28 | ARG | 1 | 0.724 | 0.829 | 19.493 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 29 | PHE | 0 | -0.028 | -0.016 | 21.031 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 30 | ALA | 0 | 0.016 | 0.018 | 26.979 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 31 | ASP | -1 | -0.886 | -0.946 | 30.184 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 32 | LEU | 0 | 0.013 | 0.011 | 24.950 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 33 | THR | 0 | -0.023 | -0.043 | 29.120 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 34 | ALA | 0 | 0.005 | 0.013 | 30.719 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 35 | GLN | 0 | -0.024 | -0.033 | 30.336 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 36 | ALA | 0 | -0.037 | -0.029 | 30.270 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 37 | ASP | -1 | -0.768 | -0.892 | 32.399 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 38 | ALA | 0 | -0.038 | -0.014 | 35.612 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 39 | VAL | 0 | -0.060 | -0.023 | 33.680 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 40 | LEU | 0 | -0.064 | -0.030 | 32.182 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 41 | GLY | 0 | -0.013 | 0.005 | 36.677 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 42 | TYR | 0 | -0.047 | -0.037 | 34.427 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 43 | SER | 0 | -0.040 | -0.017 | 35.834 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 44 | ILE | 0 | 0.030 | -0.003 | 30.001 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 45 | ARG | 1 | 0.874 | 0.923 | 31.033 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 46 | ALA | 0 | 0.019 | 0.017 | 32.148 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 47 | LEU | 0 | -0.055 | -0.014 | 32.700 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 48 | CYS | 0 | -0.026 | -0.015 | 28.634 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 49 | VAL | 0 | -0.047 | -0.008 | 29.272 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 50 | ASP | -1 | -0.863 | -0.945 | 31.241 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 51 | ASP | -1 | -0.821 | -0.908 | 33.530 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 52 | PRO | 0 | -0.012 | -0.018 | 35.505 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 53 | ARG | 1 | 0.794 | 0.865 | 39.141 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 54 | ASP | -1 | -0.918 | -0.939 | 36.946 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 55 | GLU | -1 | -0.844 | -0.913 | 36.701 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 56 | LEU | 0 | 0.008 | 0.012 | 30.018 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 57 | GLY | 0 | -0.016 | 0.016 | 31.911 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 58 | ARG | 1 | 0.895 | 0.967 | 33.407 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 59 | THR | 0 | 0.060 | 0.033 | 31.884 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 60 | GLN | 0 | 0.043 | 0.014 | 33.035 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 61 | PHE | 0 | -0.007 | -0.007 | 33.973 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 62 | THR | 0 | -0.064 | -0.066 | 28.530 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 63 | GLN | 0 | 0.011 | -0.015 | 28.412 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 64 | PRO | 0 | 0.044 | 0.015 | 28.055 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 65 | ALA | 0 | 0.054 | 0.032 | 28.501 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 66 | LEU | 0 | -0.003 | -0.002 | 23.502 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 67 | TYR | 0 | -0.023 | 0.005 | 23.715 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 68 | VAL | 0 | 0.046 | 0.024 | 23.783 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 69 | VAL | 0 | 0.045 | 0.022 | 22.011 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 70 | ASN | 0 | -0.066 | -0.044 | 19.877 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 71 | ALA | 0 | 0.001 | -0.005 | 19.258 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 72 | LEU | 0 | -0.004 | 0.009 | 20.286 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 73 | THR | 0 | -0.021 | -0.016 | 16.293 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 74 | TYR | 0 | 0.003 | -0.003 | 14.981 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 75 | TYR | 0 | 0.036 | 0.010 | 16.216 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 76 | ALA | 0 | 0.011 | 0.002 | 18.121 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 77 | LYS | 1 | 0.832 | 0.917 | 7.972 | 0.609 | 0.609 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 78 | CYS | 0 | -0.099 | -0.042 | 13.582 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 79 | GLU | -1 | -0.883 | -0.930 | 14.885 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 80 | ASP | -1 | -0.832 | -0.871 | 15.420 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 81 | SER | 0 | -0.100 | -0.073 | 10.249 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 82 | GLY | 0 | 0.021 | 0.009 | 11.457 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 83 | GLU | -1 | -0.856 | -0.908 | 7.213 | -0.570 | -0.570 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 84 | THR | 0 | 0.002 | -0.007 | 9.820 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 85 | PRO | 0 | -0.073 | -0.025 | 9.519 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 86 | ASP | -1 | -0.790 | -0.896 | 8.231 | -1.042 | -1.042 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 87 | PHE | 0 | -0.050 | -0.045 | 9.796 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 88 | LEU | 0 | 0.017 | 0.021 | 12.121 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 89 | ALA | 0 | 0.002 | -0.002 | 14.479 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 90 | GLY | 0 | 0.029 | 0.006 | 15.882 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 91 | HIS | 0 | -0.051 | -0.012 | 18.531 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 92 | SER | 0 | 0.023 | -0.021 | 20.677 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 93 | LEU | 0 | -0.055 | -0.023 | 24.078 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 94 | GLY | 0 | 0.078 | 0.030 | 20.537 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 95 | GLU | -1 | -0.789 | -0.840 | 20.293 | -0.421 | -0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 96 | PHE | 0 | -0.015 | -0.013 | 21.679 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 97 | ASN | 0 | 0.030 | 0.003 | 19.746 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 98 | ALA | 0 | 0.017 | 0.016 | 17.986 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 99 | LEU | 0 | 0.031 | -0.001 | 18.958 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 100 | LEU | 0 | -0.065 | -0.019 | 21.513 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 101 | ALA | 0 | 0.011 | 0.008 | 16.562 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 102 | ALA | 0 | -0.012 | 0.009 | 18.140 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 103 | GLY | 0 | 0.019 | 0.016 | 19.662 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 104 | CYS | 0 | -0.078 | -0.026 | 22.729 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 105 | PHE | 0 | -0.029 | -0.020 | 25.200 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 106 | ASP | -1 | -0.771 | -0.862 | 25.554 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 107 | PHE | 0 | 0.052 | 0.014 | 25.064 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 108 | GLU | -1 | -0.758 | -0.864 | 26.982 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 109 | THR | 0 | -0.102 | -0.072 | 29.933 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 110 | GLY | 0 | 0.056 | 0.030 | 27.332 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 111 | LEU | 0 | -0.007 | 0.015 | 28.393 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 112 | LYS | 1 | 0.879 | 0.925 | 30.060 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 113 | LEU | 0 | -0.086 | -0.032 | 29.419 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 114 | VAL | 0 | -0.002 | -0.006 | 27.574 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 115 | ALA | 0 | 0.053 | 0.031 | 30.878 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 116 | ARG | 1 | 0.891 | 0.964 | 34.195 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 117 | ARG | 1 | 0.848 | 0.904 | 27.525 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 118 | ALA | 0 | -0.003 | 0.009 | 32.300 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 119 | GLU | -1 | -0.859 | -0.921 | 33.873 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 120 | LEU | 0 | -0.040 | -0.011 | 36.804 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 121 | MET | 0 | -0.027 | 0.000 | 30.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 122 | SER | 0 | -0.071 | -0.047 | 36.068 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 123 | GLN | 0 | -0.039 | -0.024 | 38.003 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 124 | ALA | 0 | -0.037 | -0.005 | 38.424 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 125 | ARG | 1 | 0.845 | 0.922 | 40.510 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 126 | ASP | -1 | -0.881 | -0.950 | 42.563 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 127 | GLY | 0 | 0.007 | 0.012 | 39.088 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 128 | ALA | 0 | -0.054 | -0.031 | 36.849 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 129 | MET | 0 | 0.014 | -0.002 | 29.621 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 130 | ALA | 0 | 0.013 | 0.008 | 32.440 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 131 | ALA | 0 | -0.003 | 0.011 | 27.409 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 132 | ILE | 0 | 0.000 | -0.003 | 28.811 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 133 | VAL | 0 | -0.037 | -0.022 | 25.516 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 134 | ASN | 0 | -0.044 | -0.045 | 26.760 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 135 | ALA | 0 | 0.014 | 0.020 | 28.325 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 136 | SER | 0 | -0.044 | -0.042 | 27.971 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 137 | ARG | 1 | 0.894 | 0.919 | 26.567 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 138 | GLU | -1 | -0.811 | -0.893 | 29.926 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 139 | GLN | 0 | -0.043 | -0.016 | 31.931 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 140 | ILE | 0 | 0.002 | 0.024 | 29.991 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 141 | GLU | -1 | -0.824 | -0.922 | 32.255 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 142 | ARG | 1 | 0.893 | 0.948 | 35.703 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 143 | THR | 0 | -0.050 | -0.037 | 36.997 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 144 | LEU | 0 | -0.022 | -0.018 | 35.361 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 145 | ASP | -1 | -0.908 | -0.951 | 39.383 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 146 | GLU | -1 | -0.909 | -0.944 | 41.764 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 147 | HIS | 0 | -0.106 | -0.063 | 42.041 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 148 | GLY | 0 | 0.016 | 0.016 | 44.596 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 149 | LEU | 0 | -0.100 | -0.047 | 40.123 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 150 | VAL | 0 | 0.036 | 0.012 | 40.868 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 151 | ASP | -1 | -0.858 | -0.915 | 41.013 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 152 | THR | 0 | -0.049 | -0.056 | 36.395 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 153 | ALA | 0 | 0.031 | 0.019 | 34.355 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 154 | ILE | 0 | -0.016 | -0.013 | 28.213 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 155 | ALA | 0 | 0.015 | 0.008 | 29.607 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 156 | ASN | 0 | -0.076 | -0.045 | 24.290 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 157 | ASP | -1 | -0.805 | -0.883 | 23.229 | -0.375 | -0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 158 | ASN | 0 | 0.025 | 0.009 | 20.760 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 159 | THR | 0 | 0.003 | -0.023 | 18.205 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 160 | PRO | 0 | 0.012 | 0.003 | 19.550 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 161 | SER | 0 | -0.009 | 0.014 | 22.495 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 162 | GLN | 0 | -0.012 | -0.006 | 20.919 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 163 | LEU | 0 | 0.052 | 0.047 | 23.825 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 164 | VAL | 0 | -0.023 | -0.005 | 26.138 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 165 | ILE | 0 | 0.023 | 0.040 | 28.661 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 166 | SER | 0 | -0.041 | -0.035 | 32.171 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 167 | GLY | 0 | 0.098 | 0.055 | 34.520 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 168 | PRO | 0 | 0.015 | 0.017 | 38.171 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 169 | ALA | 0 | 0.026 | 0.009 | 40.512 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 170 | HIS | 0 | 0.074 | 0.027 | 41.559 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 171 | GLU | -1 | -0.796 | -0.870 | 41.126 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 172 | ILE | 0 | 0.027 | 0.013 | 35.549 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 173 | ALA | 0 | -0.066 | -0.038 | 38.992 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 174 | ARG | 1 | 0.886 | 0.930 | 41.411 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 175 | ALA | 0 | 0.051 | 0.029 | 37.605 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 176 | GLU | -1 | -0.940 | -0.954 | 37.917 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 177 | ALA | 0 | -0.006 | -0.011 | 38.838 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 178 | LEU | 0 | -0.029 | -0.005 | 39.025 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 179 | PHE | 0 | -0.046 | -0.028 | 34.359 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 180 | GLN | 0 | -0.043 | -0.022 | 35.235 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 181 | HIS | 1 | 0.880 | 0.920 | 36.194 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 182 | ASP | -1 | -0.869 | -0.916 | 35.479 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 183 | ARG | 1 | 0.896 | 0.950 | 27.353 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 184 | VAL | 0 | -0.052 | -0.028 | 31.461 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 185 | ARG | 1 | 0.972 | 0.986 | 27.565 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 186 | TYR | 0 | 0.006 | -0.017 | 31.597 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 187 | LEU | 0 | -0.013 | 0.002 | 28.936 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 188 | ARG | 1 | 0.977 | 1.011 | 32.190 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 189 | LEU | 0 | -0.036 | -0.016 | 28.943 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 190 | ASN | 0 | -0.017 | -0.024 | 32.330 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 191 | THR | 0 | 0.053 | 0.022 | 33.278 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 192 | SER | 0 | -0.012 | 0.003 | 35.547 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 193 | GLY | 0 | 0.028 | 0.016 | 36.677 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 194 | ALA | 0 | 0.001 | 0.017 | 35.381 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 195 | PHE | 0 | 0.018 | -0.026 | 31.227 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 196 | HIS | 0 | 0.025 | 0.039 | 27.680 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 197 | SER | 0 | 0.067 | 0.029 | 31.361 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 198 | LYS | 1 | 0.870 | 0.907 | 34.543 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 199 | PHE | 0 | -0.015 | -0.005 | 37.807 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 200 | MET | 0 | -0.052 | -0.003 | 33.930 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 201 | ARG | 1 | 0.977 | 0.994 | 36.074 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 202 | PRO | 0 | 0.035 | 0.019 | 38.605 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 203 | ALA | 0 | 0.038 | 0.027 | 36.656 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 204 | GLN | 0 | 0.000 | -0.008 | 33.913 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 205 | GLN | 0 | 0.004 | -0.003 | 36.248 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 206 | ALA | 0 | 0.031 | 0.021 | 39.251 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 207 | PHE | 0 | -0.024 | -0.026 | 30.942 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 208 | ALA | 0 | 0.025 | -0.002 | 35.585 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 209 | ALA | 0 | -0.035 | -0.007 | 36.558 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 210 | HIS | 0 | 0.000 | -0.002 | 35.170 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 211 | LEU | 0 | 0.023 | -0.003 | 31.517 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 212 | GLN | 0 | -0.005 | 0.007 | 35.632 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 213 | SER | 0 | -0.043 | -0.006 | 38.256 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 214 | PHE | 0 | 0.002 | 0.017 | 33.336 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 215 | ARG | 1 | 0.805 | 0.886 | 33.906 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 216 | LEU | 0 | 0.005 | 0.003 | 28.512 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 217 | ALA | 0 | 0.002 | 0.017 | 26.865 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 218 | ASP | -1 | -0.749 | -0.871 | 25.762 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 219 | PRO | 0 | -0.046 | -0.045 | 21.070 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 220 | ALA | 0 | -0.016 | 0.004 | 20.158 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 221 | ILE | 0 | 0.001 | 0.005 | 14.234 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 222 | PRO | 0 | -0.007 | -0.005 | 15.311 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 223 | VAL | 0 | 0.043 | 0.022 | 16.200 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 224 | ILE | 0 | -0.078 | -0.044 | 15.329 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 225 | SER | 0 | 0.007 | 0.012 | 18.300 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 226 | ASN | 0 | -0.059 | -0.074 | 20.620 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 227 | VAL | 0 | 0.052 | 0.047 | 22.674 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 228 | SER | 0 | 0.025 | -0.004 | 23.949 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 229 | ALA | 0 | 0.002 | 0.020 | 20.194 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 230 | ARG | 1 | 0.878 | 0.931 | 19.801 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 231 | PRO | 0 | 0.006 | 0.000 | 18.125 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 232 | TYR | 0 | -0.056 | -0.039 | 20.400 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 233 | GLU | -1 | -0.852 | -0.905 | 23.309 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 234 | ASN | 0 | -0.039 | -0.032 | 25.596 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 235 | GLY | 0 | 0.001 | -0.005 | 27.564 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 236 | ARG | 1 | 0.721 | 0.840 | 28.529 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 237 | VAL | 0 | 0.036 | 0.028 | 25.978 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 238 | SER | 0 | 0.039 | 0.003 | 28.116 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 239 | GLU | -1 | -0.864 | -0.908 | 31.073 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 240 | GLY | 0 | -0.015 | -0.017 | 27.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 241 | LEU | 0 | 0.007 | 0.002 | 26.194 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 242 | ALA | 0 | -0.032 | -0.020 | 28.491 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 243 | GLN | 0 | 0.006 | -0.001 | 30.349 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 244 | GLN | 0 | 0.000 | -0.005 | 24.775 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 245 | ILE | 0 | 0.000 | 0.000 | 28.670 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 246 | ALA | 0 | -0.046 | -0.020 | 31.235 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 247 | SER | 0 | -0.064 | -0.023 | 29.221 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 248 | PRO | 0 | 0.015 | 0.002 | 27.548 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 249 | VAL | 0 | -0.033 | -0.010 | 22.418 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 250 | ARG | 1 | 0.764 | 0.838 | 22.666 | 0.354 | 0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 251 | TRP | 0 | 0.040 | 0.024 | 14.718 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 252 | CYS | 0 | 0.002 | 0.006 | 17.531 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 253 | GLU | -1 | -0.812 | -0.883 | 17.336 | -0.457 | -0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 254 | SER | 0 | 0.014 | -0.005 | 17.054 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 255 | ILE | 0 | 0.003 | 0.011 | 11.858 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 256 | ARG | 1 | 0.868 | 0.907 | 13.138 | 0.481 | 0.481 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 257 | TYR | 0 | 0.006 | 0.008 | 14.989 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 258 | LEU | 0 | 0.030 | 0.012 | 10.801 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 259 | LEU | 0 | -0.067 | -0.039 | 9.284 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 260 | ALA | 0 | -0.008 | -0.004 | 11.050 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 261 | LEU | 0 | 0.056 | 0.035 | 13.102 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 262 | ALA | 0 | -0.012 | -0.014 | 7.767 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 263 | ALA | 0 | -0.005 | 0.007 | 9.897 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 264 | GLU | -1 | -0.990 | -0.982 | 11.256 | -0.383 | -0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 265 | ARG | 1 | 0.782 | 0.875 | 11.418 | 0.811 | 0.811 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 266 | GLY | 0 | -0.016 | 0.009 | 10.798 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 267 | GLU | -1 | -0.827 | -0.904 | 7.113 | -0.451 | -0.451 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 268 | ALA | 0 | -0.061 | -0.028 | 2.479 | -0.953 | -0.405 | 0.542 | -0.360 | -0.730 | 0.000 |
266 | A | 269 | ILE | 0 | 0.061 | 0.020 | 4.000 | -0.260 | -0.001 | 0.001 | -0.086 | -0.174 | 0.000 |
267 | A | 270 | GLU | -1 | -0.882 | -0.928 | 2.008 | -11.188 | -8.592 | 6.332 | -4.454 | -4.474 | -0.038 |
268 | A | 271 | PHE | 0 | -0.010 | -0.037 | 3.752 | 0.864 | 0.919 | 0.008 | -0.031 | -0.032 | 0.000 |
269 | A | 272 | THR | 0 | 0.030 | 0.014 | 7.254 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 273 | GLU | -1 | -0.786 | -0.871 | 9.270 | -0.532 | -0.532 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 274 | LEU | 0 | -0.028 | -0.014 | 12.061 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 275 | GLY | 0 | 0.068 | 0.011 | 15.075 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 276 | HIS | 0 | -0.094 | -0.035 | 18.010 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 277 | GLY | 0 | 0.007 | 0.003 | 19.632 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 278 | ASP | -1 | -0.767 | -0.857 | 15.764 | -0.459 | -0.459 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 279 | VAL | 0 | -0.013 | -0.017 | 16.701 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 280 | LEU | 0 | -0.013 | -0.023 | 14.792 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 281 | THR | 0 | -0.013 | -0.032 | 11.270 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 282 | ARG | 1 | 0.800 | 0.867 | 12.876 | 0.347 | 0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 283 | LEU | 0 | -0.053 | -0.018 | 15.624 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 284 | VAL | 0 | 0.036 | 0.017 | 9.468 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 285 | HIS | 0 | 0.001 | 0.009 | 11.890 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 286 | THR | 0 | -0.007 | -0.018 | 12.804 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 287 | ILE | 0 | 0.006 | 0.003 | 14.162 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 288 | ARG | 1 | 0.830 | 0.920 | 5.414 | 3.098 | 3.098 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 289 | ARG | 1 | 0.866 | 0.962 | 12.942 | 0.561 | 0.561 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 290 | GLN | 0 | -0.053 | -0.020 | 15.314 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 291 | THR | 0 | 0.010 | -0.012 | 15.048 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 292 | PRO | 0 | 0.025 | 0.028 | 15.287 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 293 | ALA | 0 | 0.036 | 0.022 | 12.418 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |