![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 3JZ9L
Calculation Name: 4MUP-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4MUP
Chain ID: A
UniProt ID: A9CEQ7
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 | 284 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4055257.028979 |
---|---|
FMO2-HF: Nuclear repulsion | 3946275.469009 |
FMO2-HF: Total energy | -108981.55997 |
FMO2-MP2: Total energy | -109300.917661 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F034658/ligand_interaction/ligand_F034658.png)
Ligand Interaction
![ligand interaction](./Kdata/F034658/ligand_interaction/ligand_interaction_F034658.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:6:ARG)
Summations of interaction energy for
fragment #1(A:6:ARG)
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. |
-140.547 | -123.857 | 11.236 | -9.302 | -18.62 | -0.072 |
Interaction energy analysis for fragmet #1(A:6:ARG)
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 | 8 | LEU | 0 | 0.009 | 0.001 | 3.233 | -3.512 | -0.264 | 0.059 | -1.377 | -1.930 | 0.006 |
4 | A | 9 | SER | 0 | -0.024 | -0.010 | 5.641 | 3.023 | 3.023 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 10 | GLY | 0 | 0.017 | -0.006 | 9.016 | -1.107 | -1.107 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 11 | THR | 0 | -0.005 | 0.009 | 11.629 | 0.395 | 0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 12 | ALA | 0 | 0.084 | 0.040 | 14.008 | -0.835 | -0.835 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 13 | PRO | 0 | -0.014 | 0.005 | 14.225 | 0.318 | 0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 14 | ASN | 0 | -0.063 | -0.007 | 16.724 | 0.873 | 0.873 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 15 | PRO | 0 | 0.038 | -0.004 | 20.406 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 16 | ALA | 0 | 0.030 | 0.012 | 19.750 | -0.547 | -0.547 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 17 | PHE | 0 | -0.012 | -0.006 | 15.293 | 0.405 | 0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 18 | PRO | 0 | -0.005 | 0.022 | 20.149 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 19 | ARG | 1 | 0.987 | 0.982 | 21.905 | 10.458 | 10.458 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 20 | GLY | 0 | -0.015 | -0.021 | 22.331 | 0.402 | 0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 21 | ALA | 0 | -0.020 | 0.007 | 18.750 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 22 | VAL | 0 | -0.003 | -0.004 | 17.967 | -0.550 | -0.550 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 23 | ASP | -1 | -0.732 | -0.814 | 11.139 | -24.168 | -24.168 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 24 | THR | 0 | -0.044 | -0.057 | 14.850 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 25 | GLN | 0 | -0.024 | -0.004 | 11.138 | 1.887 | 1.887 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 26 | MET | 0 | -0.017 | 0.028 | 8.671 | -1.585 | -1.585 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 27 | HIS | 0 | -0.081 | -0.047 | 8.053 | 1.799 | 1.799 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 28 | MET | 0 | 0.056 | 0.022 | 8.228 | -2.980 | -2.980 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 29 | TYR | 0 | -0.025 | -0.015 | 6.499 | 0.502 | 0.502 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 30 | LEU | 0 | 0.064 | 0.039 | 9.741 | -1.153 | -1.153 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 31 | PRO | 0 | -0.009 | -0.020 | 11.710 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 32 | GLY | 0 | -0.006 | -0.002 | 12.995 | 0.959 | 0.959 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 33 | TYR | 0 | 0.023 | 0.022 | 14.087 | 1.427 | 1.427 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 34 | PRO | 0 | 0.004 | 0.011 | 13.527 | -1.691 | -1.691 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 35 | ALA | 0 | -0.007 | -0.004 | 11.902 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 36 | LEU | 0 | -0.003 | 0.000 | 13.869 | 1.124 | 1.124 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 37 | PRO | 0 | -0.008 | -0.019 | 16.484 | -0.608 | -0.608 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 38 | GLY | 0 | 0.038 | 0.024 | 18.378 | 0.383 | 0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 39 | GLY | 0 | -0.001 | 0.010 | 14.730 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 40 | PRO | 0 | -0.086 | -0.048 | 10.217 | 0.585 | 0.585 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 41 | GLY | 0 | 0.033 | 0.024 | 10.801 | -0.594 | -0.594 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 42 | LEU | 0 | -0.025 | -0.019 | 7.743 | -1.763 | -1.763 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 43 | PRO | 0 | 0.007 | -0.004 | 2.860 | -0.939 | -0.311 | 0.240 | -0.232 | -0.635 | 0.000 |
39 | A | 44 | PRO | 0 | -0.047 | -0.028 | 4.073 | -2.199 | -2.016 | -0.001 | -0.017 | -0.165 | 0.000 |
40 | A | 45 | GLY | 0 | 0.017 | 0.049 | 3.476 | 6.918 | 7.171 | 0.001 | -0.059 | -0.194 | 0.000 |
41 | A | 46 | ALA | 0 | 0.001 | -0.029 | 3.218 | -5.776 | -4.534 | 0.087 | -0.560 | -0.769 | -0.006 |
42 | A | 47 | LEU | 0 | -0.016 | -0.011 | 2.763 | -15.000 | -13.500 | 0.339 | -0.840 | -0.999 | -0.010 |
43 | A | 48 | PRO | 0 | -0.025 | -0.004 | 2.620 | 0.688 | 1.360 | 2.012 | -0.606 | -2.078 | 0.000 |
44 | A | 49 | GLY | 0 | 0.089 | 0.044 | 4.930 | 3.409 | 3.464 | -0.001 | -0.007 | -0.047 | 0.000 |
45 | A | 50 | PRO | 0 | 0.079 | 0.013 | 7.994 | -1.710 | -1.710 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 51 | GLU | -1 | -0.877 | -0.935 | 10.018 | -23.301 | -23.301 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 52 | ASP | -1 | -0.885 | -0.958 | 5.031 | -40.760 | -40.760 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 53 | TYR | 0 | -0.005 | -0.044 | 7.064 | 0.476 | 0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 54 | ARG | 1 | 0.854 | 0.908 | 8.447 | 21.151 | 21.151 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 55 | ARG | 1 | 0.870 | 0.948 | 6.285 | 32.046 | 32.046 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 56 | LEU | 0 | -0.002 | 0.001 | 5.654 | 0.882 | 0.882 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 57 | MET | 0 | -0.021 | -0.007 | 8.718 | 1.199 | 1.199 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 58 | GLN | 0 | -0.008 | 0.006 | 12.323 | 0.621 | 0.621 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 59 | TRP | 0 | -0.106 | -0.059 | 6.343 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 60 | LEU | 0 | -0.034 | -0.040 | 9.957 | 1.046 | 1.046 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 61 | GLY | 0 | -0.005 | 0.013 | 13.339 | 0.990 | 0.990 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 62 | ILE | 0 | -0.071 | -0.033 | 11.849 | 0.476 | 0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 63 | ASP | -1 | -0.802 | -0.894 | 15.875 | -14.280 | -14.280 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 64 | ARG | 1 | 0.732 | 0.845 | 18.038 | 13.151 | 13.151 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 65 | VAL | 0 | -0.015 | -0.008 | 12.556 | -0.647 | -0.647 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 66 | ILE | 0 | 0.002 | 0.014 | 15.549 | 0.816 | 0.816 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 67 | ILE | 0 | -0.015 | -0.024 | 12.598 | -1.662 | -1.662 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 68 | THR | 0 | -0.011 | -0.005 | 13.466 | 1.761 | 1.761 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 69 | GLN | 0 | 0.015 | 0.008 | 13.147 | -2.398 | -2.398 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 70 | GLY | 0 | 0.017 | 0.018 | 11.112 | -0.400 | -0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 71 | ASN | 0 | 0.056 | 0.009 | 11.834 | 1.269 | 1.269 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 72 | ALA | 0 | -0.044 | -0.007 | 10.039 | 1.168 | 1.168 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 73 | HIS | 0 | 0.026 | 0.006 | 11.464 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 74 | GLN | 0 | -0.035 | -0.023 | 15.078 | 2.061 | 2.061 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 75 | ARG | 1 | 0.767 | 0.823 | 17.660 | 12.382 | 12.382 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 76 | ASP | -1 | -0.857 | -0.902 | 18.778 | -14.778 | -14.778 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 77 | ASN | 0 | 0.019 | 0.004 | 18.200 | -1.514 | -1.514 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 78 | GLY | 0 | 0.025 | 0.016 | 19.263 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 79 | ASN | 0 | 0.036 | -0.003 | 12.237 | -0.436 | -0.436 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 80 | THR | 0 | 0.007 | -0.015 | 15.411 | -1.049 | -1.049 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 81 | LEU | 0 | 0.020 | 0.011 | 16.325 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 82 | ALA | 0 | -0.013 | 0.008 | 17.405 | 0.362 | 0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 83 | CYS | 0 | -0.063 | -0.041 | 13.238 | -0.771 | -0.771 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 84 | VAL | 0 | 0.008 | 0.001 | 15.312 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 85 | ALA | 0 | -0.014 | -0.005 | 17.717 | 0.411 | 0.411 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 86 | GLU | -1 | -0.869 | -0.909 | 15.333 | -17.238 | -17.238 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 87 | MET | 0 | -0.086 | -0.046 | 13.663 | -0.554 | -0.554 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 88 | GLY | 0 | 0.001 | 0.021 | 16.777 | 0.347 | 0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 89 | GLU | -1 | -0.935 | -0.984 | 20.504 | -12.109 | -12.109 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 90 | ALA | 0 | -0.044 | -0.011 | 18.157 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 91 | ALA | 0 | -0.043 | -0.019 | 16.812 | -0.543 | -0.543 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 92 | HIS | 0 | 0.060 | 0.037 | 18.372 | 0.844 | 0.844 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 93 | ALA | 0 | -0.005 | 0.001 | 17.992 | -1.187 | -1.187 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 94 | VAL | 0 | -0.017 | 0.003 | 17.928 | 0.830 | 0.830 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 95 | VAL | 0 | 0.003 | -0.012 | 18.030 | -1.166 | -1.166 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 96 | ILE | 0 | -0.060 | -0.032 | 18.906 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 97 | ILE | 0 | 0.023 | 0.015 | 21.658 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 98 | ASP | -1 | -0.764 | -0.866 | 25.287 | -11.600 | -11.600 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 99 | ALA | 0 | 0.001 | -0.004 | 27.772 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 100 | THR | 0 | -0.107 | -0.066 | 29.054 | 0.338 | 0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 101 | THR | 0 | -0.041 | -0.013 | 28.288 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 102 | THR | 0 | -0.020 | -0.039 | 30.605 | 0.288 | 0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 103 | GLU | -1 | -0.866 | -0.951 | 32.608 | -8.881 | -8.881 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 104 | LYS | 1 | 1.037 | 1.018 | 34.005 | 8.464 | 8.464 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 105 | ASP | -1 | -0.856 | -0.902 | 29.478 | -10.306 | -10.306 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 106 | MET | 0 | 0.011 | 0.019 | 28.674 | -0.501 | -0.501 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 107 | GLU | -1 | -0.888 | -0.932 | 29.862 | -9.814 | -9.814 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 108 | LYS | 1 | 0.791 | 0.887 | 29.184 | 10.037 | 10.037 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 109 | LEU | 0 | -0.023 | -0.011 | 24.001 | -0.337 | -0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 110 | THR | 0 | 0.044 | 0.016 | 26.009 | -0.510 | -0.510 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 111 | ALA | 0 | -0.022 | -0.004 | 27.520 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 112 | ALA | 0 | -0.079 | -0.033 | 24.205 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 113 | GLY | 0 | 0.059 | 0.033 | 23.118 | -0.651 | -0.651 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 114 | THR | 0 | -0.080 | -0.033 | 22.651 | -0.782 | -0.782 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 115 | VAL | 0 | 0.022 | 0.015 | 21.682 | 0.510 | 0.510 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 116 | GLY | 0 | 0.043 | -0.006 | 23.178 | 0.357 | 0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 117 | ALA | 0 | -0.029 | 0.005 | 22.245 | -0.402 | -0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 118 | ARG | 1 | 0.856 | 0.911 | 14.061 | 19.465 | 19.465 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 119 | ILE | 0 | -0.001 | 0.009 | 20.479 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 120 | MET | 0 | -0.102 | -0.028 | 14.097 | -0.489 | -0.489 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 121 | ASP | -1 | -0.791 | -0.919 | 19.165 | -12.341 | -12.341 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 122 | LEU | 0 | -0.037 | -0.003 | 16.924 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 123 | PRO | 0 | 0.038 | -0.004 | 16.602 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 124 | GLY | 0 | -0.006 | -0.001 | 14.849 | -1.203 | -1.203 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 125 | GLY | 0 | -0.027 | -0.020 | 15.892 | -0.646 | -0.646 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 126 | ALA | 0 | 0.003 | 0.023 | 17.528 | 0.488 | 0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 127 | VAL | 0 | 0.030 | 0.024 | 19.601 | 0.684 | 0.684 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 128 | ASN | 0 | 0.056 | 0.037 | 22.058 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 129 | LEU | 0 | 0.073 | 0.012 | 23.694 | 0.355 | 0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 130 | SER | 0 | -0.070 | -0.025 | 26.334 | 0.550 | 0.550 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 131 | GLU | -1 | -0.824 | -0.886 | 26.008 | -11.362 | -11.362 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 132 | LEU | 0 | -0.013 | -0.002 | 27.092 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 133 | ASP | -1 | -0.842 | -0.900 | 28.708 | -8.946 | -8.946 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 134 | ALA | 0 | 0.040 | 0.024 | 30.347 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 135 | VAL | 0 | 0.019 | 0.009 | 25.185 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 136 | ASP | -1 | -0.711 | -0.825 | 28.517 | -9.862 | -9.862 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 137 | GLU | -1 | -0.932 | -0.951 | 30.332 | -8.633 | -8.633 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 138 | ARG | 1 | 0.829 | 0.904 | 30.376 | 9.750 | 9.750 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 139 | ALA | 0 | 0.023 | 0.006 | 27.906 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 140 | HIS | 0 | 0.000 | -0.003 | 29.795 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 141 | ALA | 0 | -0.043 | -0.019 | 32.829 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 142 | ALA | 0 | -0.011 | 0.005 | 30.633 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 143 | ASP | -1 | -0.781 | -0.857 | 31.598 | -9.810 | -9.810 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 144 | TRP | 0 | -0.002 | 0.007 | 25.473 | -0.541 | -0.541 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 145 | MET | 0 | -0.073 | -0.005 | 21.469 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 146 | VAL | 0 | 0.029 | -0.007 | 24.047 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 147 | ALA | 0 | -0.002 | 0.000 | 19.168 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 148 | VAL | 0 | 0.026 | 0.008 | 21.301 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 149 | GLN | 0 | -0.028 | -0.024 | 14.552 | -0.694 | -0.694 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 150 | PHE | 0 | 0.045 | 0.000 | 19.855 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 151 | ASP | -1 | -0.754 | -0.862 | 21.269 | -13.071 | -13.071 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 152 | GLY | 0 | 0.064 | 0.043 | 22.315 | 0.610 | 0.610 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 153 | ASN | 0 | -0.094 | -0.089 | 24.432 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 154 | GLY | 0 | 0.042 | 0.036 | 26.293 | 0.402 | 0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 155 | LEU | 0 | -0.045 | -0.019 | 27.864 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 156 | LEU | 0 | -0.020 | -0.023 | 29.120 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 157 | ASP | -1 | -0.903 | -0.947 | 30.966 | -9.332 | -9.332 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 158 | HIS | 0 | -0.008 | -0.006 | 26.775 | 0.409 | 0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 159 | LEU | 0 | 0.002 | 0.016 | 31.234 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 160 | PRO | 0 | 0.035 | 0.011 | 33.409 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 161 | ARG | 1 | 0.821 | 0.885 | 29.336 | 10.116 | 10.116 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 162 | LEU | 0 | 0.024 | 0.018 | 27.643 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 163 | GLN | 0 | -0.022 | -0.019 | 31.577 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 164 | LYS | 1 | 0.916 | 0.954 | 34.825 | 8.526 | 8.526 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 165 | ILE | 0 | -0.050 | 0.020 | 28.562 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 166 | ARG | 1 | 0.791 | 0.859 | 32.728 | 9.175 | 9.175 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 167 | SER | 0 | 0.010 | -0.014 | 29.426 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 168 | ARG | 1 | 0.753 | 0.863 | 27.620 | 10.896 | 10.896 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 169 | TRP | 0 | 0.005 | -0.003 | 25.105 | -0.415 | -0.415 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 170 | VAL | 0 | 0.009 | 0.005 | 20.621 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 171 | PHE | 0 | -0.018 | 0.012 | 22.451 | -0.241 | -0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 172 | ASP | -1 | -0.738 | -0.882 | 17.098 | -17.748 | -17.748 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 173 | HIS | 0 | -0.055 | -0.028 | 11.957 | 1.697 | 1.697 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 174 | HIS | 0 | -0.009 | -0.009 | 16.915 | -0.604 | -0.604 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 175 | GLY | 0 | 0.038 | 0.004 | 20.006 | 0.592 | 0.592 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 176 | LYS | 1 | 0.809 | 0.896 | 13.093 | 20.844 | 20.844 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 177 | PHE | 0 | 0.046 | 0.041 | 19.850 | 0.359 | 0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 178 | PHE | 0 | 0.013 | 0.007 | 16.604 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 179 | LYS | 1 | 0.801 | 0.880 | 21.665 | 12.072 | 12.072 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 180 | GLY | 0 | -0.028 | 0.003 | 24.335 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 181 | ILE | 0 | 0.027 | 0.012 | 25.855 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 182 | ARG | 1 | 0.836 | 0.903 | 28.680 | 8.604 | 8.604 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 183 | THR | 0 | 0.019 | -0.005 | 30.092 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 184 | ASP | -1 | -0.825 | -0.888 | 32.190 | -8.573 | -8.573 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 185 | GLY | 0 | 0.007 | 0.017 | 34.256 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 186 | PRO | 0 | 0.013 | -0.002 | 35.330 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 187 | GLU | -1 | -0.857 | -0.940 | 30.314 | -9.674 | -9.674 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 188 | MET | 0 | 0.007 | 0.016 | 28.761 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 189 | ALA | 0 | -0.017 | -0.010 | 32.061 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 190 | ALA | 0 | -0.009 | -0.010 | 33.104 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 191 | LEU | 0 | -0.003 | -0.002 | 26.827 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 192 | LEU | 0 | 0.009 | -0.005 | 30.917 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 193 | LYS | 1 | 0.874 | 0.935 | 33.011 | 8.206 | 8.206 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 194 | LEU | 0 | -0.051 | -0.022 | 30.412 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 195 | ILE | 0 | -0.021 | -0.017 | 28.195 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 196 | ASP | -1 | -0.828 | -0.892 | 31.899 | -8.519 | -8.519 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 197 | ARG | 1 | 0.786 | 0.908 | 34.719 | 9.177 | 9.177 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 198 | GLY | 0 | 0.048 | 0.032 | 33.499 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 199 | ASN | 0 | -0.060 | -0.042 | 31.510 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 200 | LEU | 0 | 0.003 | 0.005 | 26.087 | -0.290 | -0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 201 | TRP | 0 | 0.029 | 0.013 | 24.300 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 202 | PHE | 0 | -0.017 | -0.017 | 22.940 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 203 | LYS | 1 | 0.838 | 0.915 | 15.729 | 17.910 | 17.910 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 204 | PHE | 0 | -0.009 | -0.020 | 18.263 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 205 | ALA | 0 | 0.061 | 0.021 | 13.259 | -0.674 | -0.674 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 206 | GLY | 0 | 0.021 | 0.000 | 11.708 | 0.444 | 0.444 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 207 | VAL | 0 | 0.035 | 0.038 | 12.662 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 208 | TYR | 0 | 0.003 | 0.002 | 8.216 | 0.402 | 0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 209 | GLU | -1 | -0.832 | -0.902 | 9.749 | -27.160 | -27.160 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 210 | SER | 0 | -0.058 | -0.027 | 13.796 | 1.020 | 1.020 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 211 | SER | 0 | -0.065 | -0.048 | 17.184 | 0.835 | 0.835 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 212 | ARG | 1 | 0.894 | 0.943 | 18.291 | 11.999 | 11.999 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 213 | LYS | 1 | 0.874 | 0.950 | 20.385 | 12.712 | 12.712 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 214 | SER | 0 | 0.037 | 0.024 | 18.374 | -0.635 | -0.635 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 215 | TRP | 0 | 0.049 | 0.039 | 13.243 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 216 | PRO | 0 | -0.032 | -0.027 | 18.137 | 0.485 | 0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 217 | TYR | 0 | 0.032 | -0.019 | 14.072 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 218 | ALA | 0 | 0.020 | -0.002 | 20.464 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 219 | ASP | -1 | -0.768 | -0.855 | 21.918 | -13.589 | -13.589 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 220 | VAL | 0 | 0.039 | 0.020 | 19.377 | 0.368 | 0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 221 | ALA | 0 | -0.003 | 0.011 | 22.451 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 222 | ALA | 0 | -0.060 | -0.024 | 23.868 | 0.394 | 0.394 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 223 | PHE | 0 | 0.057 | 0.018 | 22.404 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 224 | SER | 0 | 0.004 | -0.004 | 22.634 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 225 | ARG | 1 | 0.946 | 0.974 | 24.926 | 11.611 | 11.611 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 226 | VAL | 0 | -0.035 | -0.003 | 27.314 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 227 | ILE | 0 | 0.019 | 0.005 | 25.863 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 228 | ALA | 0 | -0.009 | -0.008 | 25.653 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 229 | ALA | 0 | -0.036 | -0.018 | 27.715 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 230 | HIS | 0 | -0.049 | -0.026 | 31.143 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 231 | ALA | 0 | 0.006 | 0.000 | 30.087 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 232 | PRO | 0 | 0.070 | 0.043 | 28.388 | -0.419 | -0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 233 | GLU | -1 | -0.897 | -0.929 | 27.903 | -9.750 | -9.750 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 234 | ARG | 1 | 0.805 | 0.896 | 27.376 | 10.107 | 10.107 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 235 | ILE | 0 | -0.008 | 0.021 | 22.103 | -0.300 | -0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 236 | VAL | 0 | 0.037 | 0.029 | 19.636 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 237 | TRP | 0 | 0.079 | 0.032 | 12.937 | -0.342 | -0.342 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 238 | GLY | 0 | 0.027 | 0.020 | 13.985 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 239 | THR | 0 | -0.012 | -0.028 | 8.617 | -1.116 | -1.116 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 240 | ASN | 0 | -0.088 | -0.043 | 9.416 | -0.361 | -0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 241 | TRP | 0 | 0.002 | 0.045 | 3.991 | -7.903 | -7.247 | 0.004 | -0.095 | -0.565 | 0.000 |
237 | A | 242 | PRO | 0 | -0.001 | -0.009 | 2.385 | 2.481 | 3.363 | 1.740 | -0.728 | -1.894 | 0.000 |
238 | A | 243 | HIS | 1 | 0.810 | 0.845 | 2.147 | 13.886 | 16.537 | 2.572 | -2.421 | -2.802 | -0.036 |
239 | A | 244 | ASN | 0 | 0.062 | 0.019 | 3.321 | -11.556 | -11.010 | 0.005 | -0.139 | -0.411 | -0.001 |
240 | A | 245 | SER | 0 | -0.057 | -0.040 | 4.373 | 0.519 | 0.568 | -0.001 | -0.004 | -0.044 | 0.000 |
241 | A | 246 | VAL | 0 | -0.033 | -0.018 | 5.223 | 4.107 | 4.107 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 247 | ARG | 1 | 0.904 | 0.956 | 4.421 | 28.262 | 28.429 | -0.001 | -0.008 | -0.157 | 0.000 |
243 | A | 248 | GLU | -1 | -0.860 | -0.933 | 6.680 | -28.064 | -28.064 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 249 | THR | 0 | -0.009 | -0.014 | 3.496 | -1.196 | -0.952 | 0.002 | -0.033 | -0.213 | 0.000 |
245 | A | 250 | ALA | 0 | -0.023 | -0.013 | 5.577 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 251 | ALA | 0 | 0.018 | 0.020 | 8.083 | 1.450 | 1.450 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 252 | TYR | 0 | -0.020 | -0.008 | 2.438 | -10.143 | -6.429 | 4.179 | -2.176 | -5.717 | -0.025 |
248 | A | 253 | PRO | 0 | 0.003 | 0.011 | 5.790 | 2.522 | 2.522 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 254 | ASP | -1 | -0.795 | -0.899 | 6.562 | -25.028 | -25.028 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 255 | ASP | -1 | -0.753 | -0.888 | 6.326 | -32.777 | -32.777 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 256 | ALA | 0 | 0.019 | 0.029 | 9.198 | 1.425 | 1.425 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 257 | ARG | 1 | 0.758 | 0.848 | 12.169 | 18.714 | 18.714 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 258 | LEU | 0 | -0.029 | -0.019 | 10.717 | 1.062 | 1.062 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 259 | ALA | 0 | 0.006 | 0.003 | 13.206 | 0.974 | 0.974 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 260 | GLU | -1 | -0.738 | -0.823 | 15.042 | -14.825 | -14.825 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 261 | LEU | 0 | -0.067 | -0.022 | 16.884 | 0.871 | 0.871 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 262 | THR | 0 | -0.046 | -0.032 | 16.503 | 0.683 | 0.683 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 263 | LEU | 0 | 0.022 | 0.009 | 18.135 | 0.786 | 0.786 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 264 | GLY | 0 | 0.014 | 0.016 | 20.775 | 0.678 | 0.678 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 265 | TRP | 0 | -0.137 | -0.071 | 19.846 | 0.375 | 0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 266 | LEU | 0 | -0.004 | 0.002 | 22.561 | 0.330 | 0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 267 | PRO | 0 | -0.012 | 0.000 | 25.940 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 268 | ASP | -1 | -0.853 | -0.925 | 28.830 | -9.477 | -9.477 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 269 | GLU | -1 | -0.788 | -0.877 | 26.052 | -11.828 | -11.828 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 270 | ALA | 0 | -0.002 | 0.007 | 27.742 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 271 | ALA | 0 | 0.003 | -0.007 | 27.718 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 272 | ARG | 1 | 0.799 | 0.855 | 20.982 | 12.184 | 12.184 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 273 | HIS | 0 | -0.046 | -0.040 | 23.657 | -0.512 | -0.512 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 274 | ARG | 1 | 0.839 | 0.915 | 25.097 | 9.900 | 9.900 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 275 | ALA | 0 | -0.022 | -0.011 | 22.014 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 276 | LEU | 0 | -0.019 | -0.015 | 18.472 | -0.638 | -0.638 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 277 | VAL | 0 | -0.002 | 0.008 | 21.277 | -0.435 | -0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 278 | GLU | -1 | -0.778 | -0.894 | 24.045 | -10.811 | -10.811 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 279 | ASN | 0 | -0.058 | -0.036 | 24.525 | 0.585 | 0.585 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 280 | PRO | 0 | 0.002 | -0.003 | 21.096 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 281 | GLU | -1 | -0.780 | -0.865 | 23.209 | -11.321 | -11.321 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 282 | ALA | 0 | 0.002 | 0.004 | 25.834 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 283 | LEU | 0 | -0.065 | -0.022 | 22.164 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 284 | PHE | 0 | 0.004 | -0.038 | 19.628 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 285 | LYS | 1 | 0.784 | 0.891 | 24.848 | 9.763 | 9.763 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 286 | LEU | 0 | -0.015 | 0.011 | 21.857 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 287 | SER | 0 | 0.003 | 0.002 | 26.523 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 288 | PRO | 0 | 0.000 | 0.000 | 27.322 | -0.329 | -0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 289 | VAL | 0 | -0.053 | -0.027 | 25.304 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |