![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: JQYL9
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 | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 284 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4052191.07663 |
---|---|
FMO2-HF: Nuclear repulsion | 3943210.228857 |
FMO2-HF: Total energy | -108980.847773 |
FMO2-MP2: Total energy | -109300.096849 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F034659/ligand_interaction/ligand_F034659.png)
Ligand Interaction
![ligand interaction](./Kdata/F034659/ligand_interaction/ligand_interaction_F034659.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. |
-149.534 | -134.439 | 16.329 | -10.421 | -21.005 | -0.096 |
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 | 0.005 | 0.001 | 3.241 | -3.124 | -0.726 | 0.080 | -0.854 | -1.624 | 0.002 |
4 | A | 9 | SER | 0 | -0.019 | -0.010 | 5.570 | 3.031 | 3.031 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 10 | GLY | 0 | 0.011 | -0.009 | 8.961 | -0.866 | -0.866 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 11 | THR | 0 | -0.005 | 0.009 | 11.562 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 12 | ALA | 0 | 0.081 | 0.042 | 13.949 | -0.826 | -0.826 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 13 | PRO | 0 | -0.015 | 0.004 | 14.155 | 0.348 | 0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 14 | ASN | 0 | -0.055 | -0.003 | 16.675 | 0.812 | 0.812 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 15 | PRO | 0 | 0.026 | -0.006 | 20.357 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 16 | ALA | 0 | 0.028 | 0.007 | 19.699 | -0.545 | -0.545 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 17 | PHE | 0 | -0.017 | -0.015 | 15.180 | 0.396 | 0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 18 | PRO | 0 | -0.005 | 0.020 | 20.106 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 19 | ARG | 1 | 1.002 | 0.989 | 21.866 | 10.469 | 10.469 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 20 | GLY | 0 | -0.025 | -0.025 | 22.229 | 0.417 | 0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 21 | ALA | 0 | -0.017 | 0.009 | 18.594 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 22 | VAL | 0 | 0.000 | -0.001 | 17.853 | -0.581 | -0.581 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 23 | ASP | -1 | -0.738 | -0.832 | 11.045 | -24.527 | -24.527 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 24 | THR | 0 | -0.043 | -0.046 | 14.747 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 25 | GLN | 0 | -0.011 | 0.002 | 11.393 | 1.890 | 1.890 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 26 | MET | 0 | -0.013 | 0.030 | 8.575 | -1.505 | -1.505 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 27 | HIS | 0 | -0.077 | -0.045 | 7.830 | 2.015 | 2.015 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 28 | MET | 0 | 0.047 | 0.016 | 8.015 | -3.279 | -3.279 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 29 | TYR | 0 | -0.028 | -0.015 | 6.349 | 0.826 | 0.826 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 30 | LEU | 0 | 0.074 | 0.038 | 9.456 | -1.366 | -1.366 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 31 | PRO | 0 | -0.007 | -0.019 | 11.344 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 32 | GLY | 0 | -0.006 | -0.002 | 12.748 | 1.038 | 1.038 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 33 | TYR | 0 | 0.015 | 0.020 | 13.789 | 1.573 | 1.573 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 34 | PRO | 0 | -0.005 | 0.005 | 13.297 | -1.771 | -1.771 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 35 | ALA | 0 | 0.001 | -0.006 | 11.884 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 36 | LEU | 0 | -0.003 | -0.001 | 13.797 | 1.160 | 1.160 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 37 | PRO | 0 | -0.013 | -0.022 | 16.540 | -0.613 | -0.613 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 38 | GLY | 0 | 0.040 | 0.027 | 18.500 | 0.386 | 0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 39 | GLY | 0 | -0.004 | 0.011 | 14.634 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 40 | PRO | 0 | -0.085 | -0.047 | 10.180 | 0.590 | 0.590 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 41 | GLY | 0 | 0.033 | 0.023 | 10.997 | -0.567 | -0.567 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 42 | LEU | 0 | -0.024 | -0.020 | 7.562 | -1.762 | -1.762 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 43 | PRO | 0 | 0.011 | -0.002 | 2.918 | -0.687 | -0.079 | 0.273 | -0.228 | -0.653 | 0.000 |
39 | A | 44 | PRO | 0 | -0.051 | -0.029 | 4.237 | -2.850 | -2.656 | -0.001 | -0.026 | -0.167 | 0.000 |
40 | A | 45 | GLY | 0 | 0.023 | 0.052 | 3.246 | 6.981 | 7.284 | 0.002 | -0.079 | -0.226 | 0.000 |
41 | A | 46 | ALA | 0 | -0.001 | -0.030 | 3.137 | -5.334 | -4.039 | 0.133 | -0.504 | -0.924 | -0.005 |
42 | A | 47 | LEU | 0 | -0.017 | -0.017 | 2.374 | -20.689 | -18.692 | 1.202 | -1.497 | -1.702 | -0.022 |
43 | A | 48 | PRO | 0 | -0.033 | 0.003 | 2.657 | 0.037 | 0.974 | 1.882 | -0.593 | -2.227 | -0.001 |
44 | A | 49 | GLY | 0 | 0.083 | 0.045 | 4.850 | 4.284 | 4.353 | -0.001 | -0.010 | -0.059 | 0.000 |
45 | A | 50 | PRO | 0 | 0.076 | 0.008 | 7.825 | -1.562 | -1.562 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 51 | GLU | -1 | -0.924 | -0.956 | 9.826 | -25.566 | -25.566 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 52 | ASP | -1 | -0.908 | -0.971 | 4.940 | -44.701 | -44.701 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 53 | TYR | 0 | -0.005 | -0.043 | 7.045 | 0.799 | 0.799 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 54 | ARG | 1 | 0.924 | 0.951 | 8.278 | 22.159 | 22.159 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 55 | ARG | 1 | 0.910 | 0.969 | 6.550 | 30.654 | 30.654 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 56 | LEU | 0 | -0.006 | 0.004 | 5.969 | 1.128 | 1.128 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 57 | MET | 0 | -0.027 | -0.009 | 8.667 | 1.357 | 1.357 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 58 | GLN | 0 | -0.004 | 0.001 | 12.279 | 0.660 | 0.660 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 59 | TRP | 0 | -0.103 | -0.057 | 6.434 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 60 | LEU | 0 | -0.030 | -0.041 | 10.029 | 1.120 | 1.120 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 61 | GLY | 0 | -0.003 | 0.014 | 13.288 | 1.014 | 1.014 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 62 | ILE | 0 | -0.062 | -0.028 | 11.808 | 0.456 | 0.456 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 63 | ASP | -1 | -0.816 | -0.904 | 15.838 | -14.685 | -14.685 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 64 | ARG | 1 | 0.754 | 0.863 | 17.869 | 13.341 | 13.341 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 65 | VAL | 0 | -0.016 | -0.009 | 12.378 | -0.629 | -0.629 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 66 | ILE | 0 | 0.008 | 0.020 | 15.391 | 0.838 | 0.838 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 67 | ILE | 0 | -0.014 | -0.028 | 12.426 | -1.721 | -1.721 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 68 | THR | 0 | -0.028 | -0.012 | 13.280 | 1.777 | 1.777 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 69 | GLN | 0 | 0.019 | 0.011 | 12.935 | -2.532 | -2.532 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 70 | GLY | 0 | 0.008 | 0.017 | 10.903 | -0.391 | -0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 71 | ASN | 0 | 0.057 | -0.003 | 11.723 | 1.601 | 1.601 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 72 | ALA | 0 | -0.050 | -0.008 | 9.910 | 1.209 | 1.209 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 73 | HIS | 0 | 0.020 | 0.011 | 11.389 | 0.716 | 0.716 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 74 | GLN | 0 | -0.030 | -0.022 | 14.881 | 2.091 | 2.091 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 75 | ARG | 1 | 0.787 | 0.858 | 17.470 | 12.501 | 12.501 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 76 | ASP | -1 | -0.876 | -0.909 | 18.567 | -14.959 | -14.959 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 77 | ASN | 0 | 0.036 | 0.006 | 17.898 | -1.572 | -1.572 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 78 | GLY | 0 | 0.026 | 0.017 | 18.882 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 79 | ASN | 0 | 0.037 | -0.006 | 11.879 | -0.424 | -0.424 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 80 | THR | 0 | 0.001 | -0.018 | 15.024 | -1.130 | -1.130 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 81 | LEU | 0 | 0.020 | 0.010 | 15.943 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 82 | ALA | 0 | -0.012 | 0.007 | 17.219 | 0.369 | 0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 83 | CYS | 0 | -0.055 | -0.030 | 13.030 | -0.870 | -0.870 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 84 | VAL | 0 | 0.020 | 0.009 | 15.242 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 85 | ALA | 0 | -0.016 | -0.007 | 17.649 | 0.445 | 0.445 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 86 | GLU | -1 | -0.893 | -0.934 | 15.147 | -17.721 | -17.721 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 87 | MET | 0 | -0.091 | -0.046 | 13.365 | -0.617 | -0.617 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 88 | GLY | 0 | -0.007 | 0.018 | 16.640 | 0.385 | 0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 89 | GLU | -1 | -0.936 | -0.984 | 20.370 | -12.303 | -12.303 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 90 | ALA | 0 | -0.045 | -0.009 | 17.947 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 91 | ALA | 0 | -0.040 | -0.019 | 16.639 | -0.558 | -0.558 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 92 | HIS | 0 | 0.064 | 0.040 | 18.183 | 0.802 | 0.802 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 93 | ALA | 0 | -0.006 | -0.004 | 17.824 | -1.228 | -1.228 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 94 | VAL | 0 | -0.020 | 0.006 | 17.717 | 0.882 | 0.882 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 95 | VAL | 0 | 0.004 | -0.011 | 17.816 | -1.219 | -1.219 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 96 | ILE | 0 | -0.057 | -0.033 | 18.352 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 97 | ILE | 0 | 0.018 | 0.013 | 21.464 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 98 | ASP | -1 | -0.748 | -0.861 | 25.143 | -11.771 | -11.771 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 99 | ALA | 0 | -0.013 | -0.013 | 27.621 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 100 | THR | 0 | -0.119 | -0.075 | 28.825 | 0.362 | 0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 101 | THR | 0 | -0.016 | 0.005 | 28.067 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 102 | THR | 0 | -0.019 | -0.009 | 30.371 | 0.303 | 0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 103 | GLU | -1 | -0.858 | -0.943 | 32.345 | -9.136 | -9.136 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 104 | LYS | 1 | 1.038 | 1.014 | 33.724 | 8.714 | 8.714 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 105 | ASP | -1 | -0.903 | -0.962 | 29.201 | -10.610 | -10.610 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 106 | MET | 0 | -0.014 | -0.003 | 28.584 | -0.525 | -0.525 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 107 | GLU | -1 | -0.893 | -0.933 | 29.577 | -9.871 | -9.871 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 108 | LYS | 1 | 0.861 | 0.931 | 28.875 | 10.068 | 10.068 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 109 | LEU | 0 | -0.010 | -0.003 | 23.689 | -0.348 | -0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 110 | THR | 0 | 0.048 | 0.025 | 25.858 | -0.534 | -0.534 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 111 | ALA | 0 | -0.026 | -0.008 | 27.387 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 112 | ALA | 0 | -0.081 | -0.033 | 24.082 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 113 | GLY | 0 | 0.060 | 0.031 | 23.043 | -0.680 | -0.680 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 114 | THR | 0 | -0.076 | -0.033 | 22.456 | -0.811 | -0.811 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 115 | VAL | 0 | 0.019 | 0.016 | 21.467 | 0.537 | 0.537 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 116 | GLY | 0 | 0.047 | -0.007 | 23.000 | 0.379 | 0.379 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 117 | ALA | 0 | -0.028 | 0.009 | 22.109 | -0.431 | -0.431 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 118 | ARG | 1 | 0.886 | 0.934 | 13.567 | 19.784 | 19.784 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 119 | ILE | 0 | -0.006 | 0.006 | 20.412 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 120 | MET | 0 | -0.113 | -0.031 | 14.490 | -0.432 | -0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 121 | ASP | -1 | -0.800 | -0.930 | 19.237 | -12.436 | -12.436 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 122 | LEU | 0 | -0.025 | -0.001 | 17.397 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 123 | PRO | 0 | 0.030 | -0.009 | 16.753 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 124 | GLY | 0 | -0.006 | 0.001 | 14.929 | -1.177 | -1.177 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 125 | GLY | 0 | -0.022 | -0.016 | 15.908 | -0.677 | -0.677 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 126 | ALA | 0 | -0.010 | 0.014 | 17.556 | 0.504 | 0.504 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 127 | VAL | 0 | 0.028 | 0.020 | 19.532 | 0.678 | 0.678 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 128 | ASN | 0 | 0.054 | 0.031 | 22.067 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 129 | LEU | 0 | 0.060 | 0.001 | 23.745 | 0.320 | 0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 130 | SER | 0 | -0.089 | -0.038 | 26.418 | 0.565 | 0.565 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 131 | GLU | -1 | -0.827 | -0.893 | 26.511 | -11.340 | -11.340 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 132 | LEU | 0 | -0.016 | -0.004 | 27.017 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 133 | ASP | -1 | -0.867 | -0.928 | 28.719 | -9.054 | -9.054 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 134 | ALA | 0 | 0.039 | 0.022 | 30.266 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 135 | VAL | 0 | 0.007 | 0.003 | 25.222 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 136 | ASP | -1 | -0.720 | -0.852 | 28.430 | -9.974 | -9.974 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 137 | GLU | -1 | -0.975 | -0.979 | 30.279 | -8.549 | -8.549 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 138 | ARG | 1 | 0.857 | 0.920 | 30.169 | 9.973 | 9.973 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 139 | ALA | 0 | 0.020 | 0.004 | 27.777 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 140 | HIS | 0 | -0.002 | -0.003 | 29.669 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 141 | ALA | 0 | -0.040 | -0.015 | 32.706 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 142 | ALA | 0 | -0.017 | 0.002 | 30.420 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 143 | ASP | -1 | -0.824 | -0.896 | 31.416 | -9.888 | -9.888 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 144 | TRP | 0 | -0.025 | -0.008 | 25.468 | -0.550 | -0.550 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 145 | MET | 0 | -0.082 | -0.007 | 21.265 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 146 | VAL | 0 | 0.031 | -0.009 | 23.966 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 147 | ALA | 0 | -0.012 | -0.007 | 19.139 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 148 | VAL | 0 | 0.021 | 0.011 | 21.248 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 149 | GLN | 0 | -0.012 | -0.007 | 14.805 | -0.642 | -0.642 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 150 | PHE | 0 | 0.031 | -0.009 | 20.014 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 151 | ASP | -1 | -0.837 | -0.915 | 21.536 | -13.133 | -13.133 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 152 | GLY | 0 | 0.062 | 0.038 | 22.617 | 0.615 | 0.615 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 153 | ASN | 0 | -0.096 | -0.078 | 24.746 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 154 | GLY | 0 | 0.042 | 0.031 | 26.603 | 0.421 | 0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 155 | LEU | 0 | -0.040 | -0.018 | 27.982 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 156 | LEU | 0 | -0.023 | -0.025 | 29.395 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 157 | ASP | -1 | -0.906 | -0.942 | 31.214 | -9.282 | -9.282 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 158 | HIS | 0 | -0.019 | -0.011 | 26.951 | 0.401 | 0.401 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 159 | LEU | 0 | 0.007 | 0.017 | 31.439 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 160 | PRO | 0 | 0.027 | 0.006 | 33.616 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 161 | ARG | 1 | 0.868 | 0.912 | 30.199 | 10.053 | 10.053 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 162 | LEU | 0 | 0.026 | 0.021 | 27.980 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 163 | GLN | 0 | -0.031 | -0.021 | 31.711 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 164 | LYS | 1 | 0.903 | 0.949 | 34.935 | 8.588 | 8.588 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 165 | ILE | 0 | -0.049 | 0.018 | 28.629 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 166 | ARG | 1 | 0.822 | 0.889 | 32.768 | 9.176 | 9.176 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 167 | SER | 0 | 0.000 | -0.004 | 29.369 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 168 | ARG | 1 | 0.770 | 0.885 | 27.444 | 11.046 | 11.046 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 169 | TRP | 0 | 0.009 | 0.000 | 25.109 | -0.421 | -0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 170 | VAL | 0 | 0.001 | 0.004 | 20.664 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 171 | PHE | 0 | -0.016 | 0.012 | 22.447 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 172 | ASP | -1 | -0.754 | -0.901 | 17.213 | -17.456 | -17.456 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 173 | HIS | 0 | -0.042 | -0.024 | 12.127 | 1.747 | 1.747 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 174 | HIS | 0 | -0.020 | -0.018 | 17.022 | -0.505 | -0.505 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 175 | GLY | 0 | 0.035 | 0.001 | 20.141 | 0.612 | 0.612 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 176 | LYS | 1 | 0.829 | 0.913 | 13.683 | 20.390 | 20.390 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 177 | PHE | 0 | 0.037 | 0.035 | 20.069 | 0.386 | 0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 178 | PHE | 0 | 0.020 | 0.014 | 17.203 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 179 | LYS | 1 | 0.896 | 0.941 | 22.096 | 11.051 | 11.051 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 180 | GLY | 0 | -0.041 | -0.006 | 24.606 | 0.433 | 0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 181 | ILE | 0 | 0.032 | 0.010 | 26.099 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 182 | ARG | 1 | 0.941 | 0.971 | 28.898 | 8.675 | 8.675 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 183 | THR | 0 | 0.030 | -0.002 | 30.273 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 184 | ASP | -1 | -0.920 | -0.955 | 32.388 | -8.467 | -8.467 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 185 | GLY | 0 | -0.008 | 0.014 | 34.450 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 186 | PRO | 0 | 0.024 | -0.001 | 35.501 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 187 | GLU | -1 | -0.890 | -0.948 | 30.384 | -9.640 | -9.640 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 188 | MET | 0 | 0.009 | 0.016 | 29.270 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 189 | ALA | 0 | -0.012 | -0.006 | 32.215 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 190 | ALA | 0 | -0.019 | -0.015 | 33.249 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 191 | LEU | 0 | 0.004 | 0.001 | 27.100 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 192 | LEU | 0 | 0.016 | -0.003 | 31.002 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 193 | LYS | 1 | 0.969 | 0.991 | 33.104 | 8.036 | 8.036 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 194 | LEU | 0 | -0.058 | -0.025 | 30.366 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 195 | ILE | 0 | -0.021 | -0.015 | 28.421 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 196 | ASP | -1 | -0.874 | -0.921 | 31.939 | -8.634 | -8.634 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 197 | ARG | 1 | 0.804 | 0.927 | 34.783 | 9.223 | 9.223 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 198 | GLY | 0 | 0.037 | 0.023 | 33.488 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 199 | ASN | 0 | -0.051 | -0.035 | 31.478 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 200 | LEU | 0 | 0.006 | 0.006 | 26.085 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 201 | TRP | 0 | 0.031 | 0.014 | 24.251 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 202 | PHE | 0 | -0.028 | -0.016 | 22.869 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 203 | LYS | 1 | 0.849 | 0.922 | 15.770 | 17.800 | 17.800 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 204 | PHE | 0 | -0.011 | -0.021 | 18.260 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 205 | ALA | 0 | 0.063 | 0.019 | 13.277 | -0.671 | -0.671 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 206 | GLY | 0 | 0.021 | 0.003 | 11.876 | 0.484 | 0.484 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 207 | VAL | 0 | 0.036 | 0.035 | 12.819 | 0.350 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 208 | TYR | 0 | 0.024 | 0.028 | 8.096 | 0.312 | 0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 209 | GLU | -1 | -0.889 | -0.951 | 10.243 | -26.402 | -26.402 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 210 | SER | 0 | -0.058 | -0.027 | 14.046 | 1.014 | 1.014 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 211 | SER | 0 | -0.063 | -0.040 | 17.449 | 0.850 | 0.850 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 212 | ARG | 1 | 0.946 | 0.970 | 18.593 | 11.857 | 11.857 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 213 | LYS | 1 | 0.880 | 0.952 | 20.649 | 12.519 | 12.519 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 214 | SER | 0 | 0.040 | 0.023 | 18.369 | -0.601 | -0.601 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 215 | TRP | 0 | 0.049 | 0.045 | 13.308 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 216 | PRO | 0 | -0.027 | -0.028 | 18.126 | 0.484 | 0.484 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 217 | TYR | 0 | 0.032 | -0.020 | 13.715 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 218 | ALA | 0 | 0.013 | -0.005 | 20.463 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 219 | ASP | -1 | -0.782 | -0.866 | 22.249 | -13.373 | -13.373 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 220 | VAL | 0 | 0.040 | 0.019 | 19.663 | 0.355 | 0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 221 | ALA | 0 | -0.008 | 0.008 | 22.677 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 222 | ALA | 0 | -0.050 | -0.018 | 24.045 | 0.375 | 0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 223 | PHE | 0 | 0.050 | 0.014 | 22.721 | 0.325 | 0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 224 | SER | 0 | 0.007 | 0.001 | 22.793 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 225 | ARG | 1 | 0.952 | 0.975 | 25.082 | 11.490 | 11.490 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 226 | VAL | 0 | -0.031 | -0.001 | 27.413 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 227 | ILE | 0 | 0.020 | 0.007 | 26.042 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 228 | ALA | 0 | -0.007 | -0.009 | 25.697 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 229 | ALA | 0 | -0.035 | -0.020 | 27.769 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 230 | HIS | 0 | -0.070 | -0.039 | 31.201 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 231 | ALA | 0 | 0.010 | 0.003 | 30.043 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 232 | PRO | 0 | 0.069 | 0.043 | 28.409 | -0.435 | -0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 233 | GLU | -1 | -0.979 | -0.977 | 27.895 | -9.730 | -9.730 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 234 | ARG | 1 | 0.799 | 0.895 | 27.388 | 10.124 | 10.124 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 235 | ILE | 0 | -0.001 | 0.024 | 22.178 | -0.306 | -0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 236 | VAL | 0 | 0.036 | 0.024 | 19.572 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 237 | TRP | 0 | 0.073 | 0.033 | 13.049 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 238 | GLY | 0 | 0.021 | 0.009 | 13.954 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 239 | THR | 0 | -0.012 | -0.016 | 8.614 | -1.202 | -1.202 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 240 | ASN | 0 | -0.099 | -0.062 | 9.363 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 241 | TRP | 0 | -0.020 | 0.037 | 3.884 | -8.519 | -7.705 | 0.010 | -0.157 | -0.667 | -0.001 |
237 | A | 242 | PRO | 0 | -0.001 | -0.010 | 2.078 | 2.742 | 2.797 | 3.286 | -1.074 | -2.267 | 0.001 |
238 | A | 243 | HIS | 1 | 0.805 | 0.836 | 2.255 | 16.092 | 19.537 | 1.611 | -2.438 | -2.618 | -0.037 |
239 | A | 244 | ASN | 0 | 0.067 | 0.021 | 3.637 | -11.367 | -10.901 | 0.001 | -0.127 | -0.341 | -0.001 |
240 | A | 245 | SER | 0 | -0.037 | -0.006 | 4.685 | 0.721 | 0.760 | -0.001 | -0.002 | -0.035 | 0.000 |
241 | A | 246 | VAL | 0 | -0.006 | -0.007 | 5.595 | 3.880 | 3.880 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 247 | ARG | 1 | 0.915 | 0.960 | 4.953 | 27.497 | 27.605 | -0.001 | -0.002 | -0.105 | 0.000 |
243 | A | 248 | GLU | -1 | -0.874 | -0.938 | 7.136 | -25.788 | -25.788 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 249 | THR | 0 | -0.005 | -0.011 | 4.625 | -1.361 | -1.205 | -0.001 | -0.009 | -0.145 | 0.000 |
245 | A | 250 | ALA | 0 | -0.019 | -0.012 | 5.723 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 251 | ALA | 0 | 0.017 | 0.018 | 8.088 | 1.289 | 1.289 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 252 | TYR | 0 | -0.014 | -0.007 | 2.311 | -11.417 | -9.206 | 7.854 | -2.821 | -7.245 | -0.032 |
248 | A | 253 | PRO | 0 | -0.001 | 0.010 | 5.785 | 2.774 | 2.774 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 254 | ASP | -1 | -0.811 | -0.913 | 6.543 | -24.332 | -24.332 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 255 | ASP | -1 | -0.760 | -0.902 | 6.322 | -32.764 | -32.764 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 256 | ALA | 0 | 0.025 | 0.033 | 9.170 | 1.373 | 1.373 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 257 | ARG | 1 | 0.770 | 0.872 | 12.115 | 18.414 | 18.414 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 258 | LEU | 0 | -0.027 | -0.020 | 10.997 | 1.020 | 1.020 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 259 | ALA | 0 | 0.003 | 0.002 | 13.184 | 0.927 | 0.927 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 260 | GLU | -1 | -0.745 | -0.848 | 15.020 | -14.577 | -14.577 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 261 | LEU | 0 | -0.073 | -0.024 | 16.902 | 0.830 | 0.830 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 262 | THR | 0 | -0.059 | -0.034 | 16.712 | 0.701 | 0.701 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 263 | LEU | 0 | 0.035 | 0.015 | 18.009 | 0.757 | 0.757 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 264 | GLY | 0 | 0.011 | 0.014 | 20.758 | 0.668 | 0.668 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 265 | TRP | 0 | -0.127 | -0.069 | 19.796 | 0.386 | 0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 266 | LEU | 0 | -0.007 | 0.000 | 22.674 | 0.318 | 0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 267 | PRO | 0 | -0.011 | -0.003 | 25.990 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 268 | ASP | -1 | -0.864 | -0.933 | 28.872 | -9.437 | -9.437 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 269 | GLU | -1 | -0.796 | -0.889 | 26.270 | -11.707 | -11.707 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 270 | ALA | 0 | 0.004 | 0.009 | 27.714 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 271 | ALA | 0 | 0.017 | 0.003 | 27.658 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 272 | ARG | 1 | 0.814 | 0.883 | 21.028 | 12.158 | 12.158 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 273 | HIS | 0 | -0.046 | -0.033 | 23.621 | -0.537 | -0.537 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 274 | ARG | 1 | 0.924 | 0.953 | 25.031 | 10.046 | 10.046 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 275 | ALA | 0 | -0.023 | -0.012 | 21.951 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 276 | LEU | 0 | -0.016 | -0.014 | 18.385 | -0.647 | -0.647 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 277 | VAL | 0 | 0.001 | 0.009 | 21.182 | -0.472 | -0.472 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 278 | GLU | -1 | -0.791 | -0.900 | 23.947 | -10.842 | -10.842 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 279 | ASN | 0 | -0.061 | -0.032 | 24.466 | 0.582 | 0.582 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 280 | PRO | 0 | 0.004 | 0.000 | 21.002 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 281 | GLU | -1 | -0.802 | -0.886 | 23.124 | -11.383 | -11.383 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 282 | ALA | 0 | -0.005 | 0.000 | 25.720 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 283 | LEU | 0 | -0.064 | -0.019 | 22.132 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 284 | PHE | 0 | 0.009 | -0.039 | 19.673 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 285 | LYS | 1 | 0.839 | 0.928 | 24.737 | 9.858 | 9.858 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 286 | LEU | 0 | -0.017 | 0.009 | 21.840 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 287 | SER | 0 | 0.006 | 0.001 | 26.373 | 0.307 | 0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 288 | PRO | 0 | -0.006 | -0.001 | 27.161 | -0.346 | -0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 289 | VAL | 0 | -0.051 | -0.023 | 25.297 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |