Welcome!

This is the result page for job_40392325

Download Result

Visualization

No. Ligand Score Complex Site
1 CHEMBL211662 -11.90
2 CHEMBL209704 -11.80
3 CHEMBL378024 -11.60
4 CHEMBL211508_1 -11.40
5 crystal_file -11.40
6 CHEMBL522892_1 -11.30
7 CHEMBL211662_1 -11.30
8 CHEMBL211508_2 -11.20
9 CHEMBL1172720 -11.20
10 CHEMBL522892 -11.10
11 CHEMBL1173200 -10.90
12 CHEMBL1173200_1 -10.90
13 CHEMBL536073 -10.90
14 CHEMBL558752 -10.80
15 CHEMBL20252 -10.80
16 CHEMBL558752_1 -10.80
17 CHEMBL211508 -10.80
18 CHEMBL270492_1 -10.60
19 CHEMBL1171247 -10.60
20 CHEMBL550281 -10.60
21 CHEMBL378024_1 -10.60
22 CHEMBL1169881 -10.50
23 CHEMBL1171282_1 -10.50
24 CHEMBL230178_1 -10.40
25 CHEMBL251015 -10.30
26 CHEMBL1171837 -10.30
27 CHEMBL1171658 -10.30
28 CHEMBL270492 -10.30
29 CHEMBL941_1 -10.20
30 CHEMBL1171282 -10.20
31 CHEMBL364623 -10.20
32 CHEMBL1171658_1 -10.10
33 CHEMBL1171835_1 -10.10
34 CHEMBL256101 -10.10
35 CHEMBL55592 -10.10
36 CHEMBL1171657_1 -10.00
37 CHEMBL538337_2 -10.00
38 CHEMBL1172719 -10.00
39 CHEMBL573577_3 -10.00
40 CHEMBL1421_3 -10.00
41 CHEMBL418270 -10.00
42 CHEMBL230178 -10.00
43 CHEMBL1421_4 -9.90
44 CHEMBL293991 -9.90
45 CHEMBL1171836_1 -9.90
46 CHEMBL538337_1 -9.90
47 CHEMBL1171247_1 -9.90
48 CHEMBL205723 -9.80
49 CHEMBL255738 -9.80
50 CHEMBL538337 -9.70
51 CHEMBL1421 -9.70
52 CHEMBL459850 -9.70
53 CHEMBL1171657 -9.70
54 CHEMBL1421_2 -9.60
55 CHEMBL1172719_1 -9.50
56 CHEMBL1171835 -9.50
57 CHEMBL1171836 -9.50
58 CHEMBL206046 -9.40
59 CHEMBL573577_1 -9.40
60 CHEMBL1213924 -9.30
61 CHEMBL219557 -9.20
62 CHEMBL538337_3 -9.20
63 CHEMBL122068_1 -9.20
64 CHEMBL24828 -9.20
65 CHEMBL122068 -9.10
66 CHEMBL191003 -9.10
67 CHEMBL573577_2 -9.10
68 CHEMBL573577 -9.10
69 CHEMBL428029_1 -9.00
70 CHEMBL169467_1 -8.90
71 CHEMBL298445 -8.90
72 CHEMBL169467 -8.80
73 CHEMBL364955 -8.80
74 CHEMBL482968_3 -8.80
75 CHEMBL253292 -8.70
76 CHEMBL428029 -8.70
77 CHEMBL455164_1 -8.70
78 CHEMBL1170747 -8.60
79 CHEMBL219964 -8.60
80 CHEMBL219557_1 -8.60
81 CHEMBL482968 -8.50
82 CHEMBL473923_1 -8.40
83 CHEMBL1421_1 -8.40
84 CHEMBL482968_1 -8.40
85 CHEMBL482968_2 -8.30
86 CHEMBL42136 -8.30
87 CHEMBL454119_1 -8.20
88 CHEMBL473923 -8.00
89 CHEMBL1081312 -7.90
90 CHEMBL941 -7.80
91 CHEMBL454119 -7.70
92 CHEMBL355330 -7.70
93 CHEMBL564829 -7.70
94 CHEMBL455164 -7.40
95 CHEMBL406845 -7.40
96 CHEMBL259084 -7.40
97 CHEMBL454358 -7.20
98 CHEMBL259084_1 -7.10
99 CHEMBL564829_1 -6.90
100 CHEMBL364955_1 -6.20

Protein-ligand Complex Interaction information

Interaction
Residue Residue_ID Residue_Atom Frequency
hydrogen bond MET 86 O 1
hydrophobic contacts TYR 21 C 6
hydrophobic contacts LYS 39 C 4
hydrophobic contacts PHE 85 C 4
hydrophobic contacts PHE 150 C 4
hydrophobic contacts ILE 81 C 2
hydrophobic contacts LEU 138 C 2
hydrophobic contacts LEU 16 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond MET 86 O 1
hydrophobic contacts PHE 85 C 8
hydrophobic contacts PHE 150 C 6
hydrophobic contacts LYS 39 C 4
hydrophobic contacts TYR 21 C 4
hydrophobic contacts ILE 81 C 2
hydrophobic contacts LEU 138 C 2
hydrophobic contacts LEU 16 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond ASP 149 O 1
hydrogen bond THR 87 O 1
hydrophobic contacts TYR 21 C 12
hydrophobic contacts PHE 150 C 6
hydrophobic contacts LEU 138 C 4
hydrophobic contacts PHE 85 C 4
hydrophobic contacts VAL 24 C 4
hydrophobic contacts ILE 81 C 2
hydrophobic contacts LYS 39 C 2
hydrophobic contacts LEU 16 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts VAL 67 C 2
hydrogen bond MET 86 O 1
hydrophobic contacts PHE 150 C 6
hydrophobic contacts LYS 39 C 4
hydrophobic contacts PHE 85 C 4
hydrophobic contacts ILE 81 C 2
hydrophobic contacts LEU 138 C 2
hydrophobic contacts LEU 16 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts VAL 67 C 2
hydrogen bond THR 87 O 1
hydrophobic contacts LEU 138 C 4
hydrophobic contacts LEU 16 C 4
hydrophobic contacts TYR 21 C 4
hydrophobic contacts LYS 39 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond MET 86 O 1
hydrogen bond THR 87 O 1
hydrophobic contacts PHE 85 C 8
hydrophobic contacts PHE 150 C 6
hydrophobic contacts LYS 39 C 4
hydrophobic contacts ILE 81 C 2
hydrophobic contacts LEU 138 C 2
hydrophobic contacts LEU 16 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts VAL 67 C 2
hydrogen bond ASP 149 O 1
hydrophobic contacts TYR 21 C 12
hydrophobic contacts PHE 150 C 6
hydrophobic contacts LEU 16 C 4
hydrophobic contacts PHE 85 C 4
hydrophobic contacts LEU 138 C 4
hydrophobic contacts VAL 24 C 4
hydrophobic contacts LYS 39 C 2
hydrophobic contacts VAL 67 C 2
hydrophobic contacts ILE 81 C 2
hydrophobic contacts ALA 37 C 2
halogenbond GLU 54 O 1
halogenbond ILE 81 O 1
hydrophobic contacts PHE 85 C 6
hydrophobic contacts PHE 150 C 4
hydrophobic contacts VAL 67 C 4
hydrophobic contacts ALA 148 C 2
hydrophobic contacts LEU 138 C 2
hydrophobic contacts LEU 16 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts TYR 21 C 2
hydrogen bond MET 86 O 1
halogenbond ASP 149 O 1
halogenbond THR 83 O 1
halogenbond ILE 81 O 1
hydrophobic contacts LEU 16 C 6
hydrophobic contacts ILE 81 C 2
hydrophobic contacts LEU 138 C 2
hydrophobic contacts PHE 85 C 2
hydrophobic contacts THR 83 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts VAL 67 C 2
hydrogen bond MET 86 O 1
hydrogen bond GLU 54 O 1
hydrogen bond GLY 17 N 1
halogenbond GLU 54 O 1
hydrophobic contacts LYS 39 C 4
hydrophobic contacts PHE 85 C 4
hydrophobic contacts PHE 150 C 4
hydrophobic contacts ILE 81 C 2
hydrophobic contacts LEU 138 C 2
hydrophobic contacts LEU 16 C 2
hydrogen bond TYR 88 O 1
hydrogen bond GLY 17 N 1
halogenbond GLU 26 O 1
halogenbond GLU 54 O 1
halogenbond THR 87 O 1
hydrophobic contacts LEU 16 C 4
hydrophobic contacts TYR 21 C 4
hydrophobic contacts LYS 39 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts PHE 150 C 2
hydrophobic contacts VAL 67 C 2
hydrogen bond VAL 38 N 1
hydrogen bond ASP 149 N 1
hydrogen bond PHE 150 N 1
hydrogen bond LYS 39 N 1
halogenbond ASP 149 O 1
hydrophobic contacts LEU 16 C 4
hydrophobic contacts ILE 81 C 2
hydrophobic contacts LEU 138 C 2
hydrophobic contacts PHE 150 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts MET 86 C 2
hydrogen bond THR 87 O 1
hydrogen bond TYR 88 O 1
hydrophobic contacts TYR 21 C 8
hydrophobic contacts LEU 138 C 4
hydrophobic contacts PHE 85 C 4
hydrophobic contacts LEU 16 C 4
hydrophobic contacts VAL 24 C 4
hydrophobic contacts ALA 37 C 2
hydrophobic contacts PHE 150 C 2
hydrogen bond MET 86 O 1
hydrogen bond GLY 17 N 1
hydrogen bond PHE 150 N 1
halogenbond ASP 149 O 1
halogenbond GLU 54 O 1
halogenbond THR 83 O 1
halogenbond ALA 37 O 1
hydrophobic contacts LYS 39 C 4
hydrophobic contacts PHE 85 C 4
hydrophobic contacts ILE 81 C 2
hydrophobic contacts LEU 138 C 2
hydrophobic contacts PHE 150 C 2
hydrophobic contacts LEU 16 C 2
hydrophobic contacts PHE 85 C 8
hydrophobic contacts PHE 150 C 6
hydrophobic contacts LYS 39 C 4
hydrophobic contacts ILE 81 C 2
hydrophobic contacts LEU 138 C 2
hydrophobic contacts LEU 16 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts VAL 67 C 2
hydrogen bond ILE 81 O 1
hydrogen bond GLY 17 N 1
halogenbond ASP 93 O 1
halogenbond GLY 17 O 1
hydrophobic contacts PHE 150 C 4
hydrophobic contacts LEU 16 C 4
hydrophobic contacts ILE 81 C 2
hydrophobic contacts LEU 138 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts MET 86 C 2
hydrophobic contacts THR 83 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts VAL 67 C 2
hydrophobic contacts LEU 16 C 6
hydrophobic contacts LEU 138 C 4
hydrophobic contacts TYR 21 C 4
hydrophobic contacts PHE 85 C 2
hydrophobic contacts THR 83 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond MET 86 O 1
hydrogen bond GLU 84 O 1
hydrogen bond GLY 17 N 1
hydrophobic contacts LEU 16 C 8
hydrophobic contacts TYR 21 C 8
hydrophobic contacts PHE 85 C 6
hydrophobic contacts LYS 39 C 2
hydrophobic contacts LEU 138 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts THR 83 C 2
hydrophobic contacts PHE 150 C 2
hydrophobic contacts VAL 67 C 2
halogenbond GLU 54 O 1
halogenbond ILE 81 O 1
hydrophobic contacts PHE 85 C 6
hydrophobic contacts LEU 16 C 4
hydrophobic contacts PHE 150 C 4
hydrophobic contacts TYR 21 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond LYS 39 N 1
halogenbond ILE 81 O 1
hydrophobic contacts ILE 81 C 4
hydrophobic contacts LEU 16 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts PHE 150 C 2
hydrophobic contacts MET 86 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts GLU 54 C 2
hydrophobic contacts LEU 16 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts PHE 85 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts TYR 21 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond THR 87 O 1
hydrophobic contacts LEU 16 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts PHE 85 C 2
hydrophobic contacts TYR 21 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts LEU 138 C 2
hydrophobic contacts PHE 85 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts LEU 16 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond MET 86 O 1
hydrophobic contacts PHE 150 C 6
hydrophobic contacts LYS 39 C 4
hydrophobic contacts PHE 85 C 4
hydrophobic contacts ILE 81 C 2
hydrophobic contacts LEU 138 C 2
hydrophobic contacts LEU 16 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts VAL 67 C 2
hydrogen bond TYR 88 O 1
hydrogen bond THR 83 O 1
hydrogen bond GLY 17 N 1
halogenbond GLU 54 O 2
halogenbond GLU 26 O 1
halogenbond THR 87 O 1
hydrophobic contacts LEU 16 C 6
hydrophobic contacts TYR 21 C 4
hydrophobic contacts LYS 39 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts VAL 67 C 2
hydrogen bond MET 86 O 1
hydrogen bond TYR 88 O 1
hydrogen bond HIS 14 N 1
hydrophobic contacts PHE 85 C 8
hydrophobic contacts LEU 16 C 6
hydrophobic contacts LYS 39 C 4
hydrophobic contacts VAL 24 C 4
hydrophobic contacts ILE 81 C 2
hydrophobic contacts LEU 138 C 2
hydrophobic contacts PHE 150 C 2
hydrophobic contacts THR 83 C 2
hydrophobic contacts TYR 21 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts VAL 67 C 2
hydrogen bond THR 87 O 1
hydrogen bond TYR 88 O 1
hydrophobic contacts LEU 138 C 4
hydrophobic contacts PHE 85 C 4
hydrophobic contacts LEU 16 C 4
hydrophobic contacts TYR 21 C 4
hydrophobic contacts VAL 24 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts PHE 85 C 6
hydrophobic contacts PHE 150 C 6
hydrophobic contacts LYS 39 C 4
hydrophobic contacts LEU 16 C 4
hydrophobic contacts VAL 24 C 4
hydrophobic contacts TYR 21 C 4
hydrophobic contacts ILE 81 C 2
hydrophobic contacts LEU 138 C 2
hydrophobic contacts THR 83 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts VAL 67 C 2
hydrogen bond ILE 81 O 1
hydrogen bond GLY 17 N 1
halogenbond ASP 93 O 1
halogenbond GLY 17 O 1
hydrophobic contacts PHE 150 C 4
hydrophobic contacts LEU 16 C 4
hydrophobic contacts ILE 81 C 2
hydrophobic contacts LEU 138 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts MET 86 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts VAL 67 C 2
hydrogen bond MET 86 O 1
hydrogen bond THR 83 O 1
halogenbond ASP 149 O 1
hydrophobic contacts PHE 85 C 4
hydrophobic contacts LEU 16 C 4
hydrophobic contacts ILE 81 C 2
hydrophobic contacts LYS 39 C 2
hydrophobic contacts PHE 150 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts THR 83 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts TYR 21 C 2
hydrogen bond THR 87 O 1
hydrophobic contacts LEU 138 C 2
hydrophobic contacts PHE 85 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts LEU 16 C 2
hydrophobic contacts TYR 21 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts THR 87 C 2
hydrogen bond MET 86 O 1
hydrogen bond THR 83 O 1
hydrophobic contacts LYS 39 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts LEU 16 C 2
hydrophobic contacts MET 86 C 2
hydrophobic contacts THR 83 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts VAL 67 C 2
hydrophobic contacts PHE 85 C 6
hydrophobic contacts LEU 138 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts LEU 16 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond ALA 37 O 1
hydrogen bond ILE 81 O 1
hydrogen bond LYS 39 N 1
hydrogen bond PHE 150 N 1
hydrogen bond GLY 17 N 1
halogenbond THR 87 O 1
halogenbond TYR 88 O 1
hydrophobic contacts PHE 85 C 8
hydrophobic contacts TYR 21 C 8
hydrophobic contacts LEU 138 C 4
hydrophobic contacts LEU 16 C 4
hydrophobic contacts ALA 37 C 2
hydrogen bond ILE 81 O 1
halogenbond TYR 88 O 1
hydrophobic contacts TYR 21 C 12
hydrophobic contacts LEU 138 C 6
hydrophobic contacts PHE 85 C 4
hydrophobic contacts LEU 16 C 4
hydrophobic contacts PHE 150 C 4
hydrophobic contacts VAL 24 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond HIS 14 N 1
halogenbond ASP 149 O 1
halogenbond THR 83 O 1
halogenbond ALA 37 O 1
hydrophobic contacts PHE 85 C 4
hydrophobic contacts LEU 16 C 4
hydrophobic contacts ILE 81 C 2
hydrophobic contacts LYS 39 C 2
hydrophobic contacts LEU 138 C 2
hydrophobic contacts PHE 150 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts MET 86 C 2
hydrophobic contacts THR 83 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts VAL 67 C 2
hydrophobic contacts LEU 16 C 6
hydrophobic contacts LEU 138 C 2
hydrophobic contacts PHE 85 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond GLU 26 O 2
hydrogen bond TYR 88 O 1
hydrogen bond MET 86 O 1
hydrogen bond THR 83 O 1
hydrogen bond GLY 89 N 1
hydrophobic contacts LEU 138 C 4
hydrophobic contacts LEU 16 C 4
hydrophobic contacts VAL 67 C 4
hydrophobic contacts ALA 148 C 2
hydrophobic contacts PHE 85 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts MET 86 C 2
hydrophobic contacts PHE 150 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond THR 87 O 1
hydrophobic contacts TYR 21 C 10
hydrophobic contacts PHE 85 C 4
hydrophobic contacts VAL 24 C 4
hydrophobic contacts PHE 150 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts LEU 16 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts VAL 67 C 2
hydrogen bond GLU 26 O 2
hydrogen bond GLY 17 N 1
hydrophobic contacts LEU 16 C 6
hydrophobic contacts LEU 138 C 4
hydrophobic contacts TYR 21 C 4
hydrophobic contacts PHE 85 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond THR 87 O 1
hydrophobic contacts LEU 16 C 4
hydrophobic contacts VAL 24 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts LYS 39 C 2
hydrophobic contacts TYR 21 C 2
hydrophobic contacts PHE 150 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond GLU 26 O 1
hydrogen bond MET 86 O 1
hydrogen bond HIS 14 N 1
halogenbond ASP 149 O 1
hydrophobic contacts LYS 39 C 4
hydrophobic contacts PHE 85 C 4
hydrophobic contacts PHE 150 C 4
hydrophobic contacts LEU 16 C 4
hydrophobic contacts ILE 81 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts THR 83 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts TYR 21 C 2
hydrogen bond TYR 88 O 1
hydrogen bond MET 86 O 1
hydrogen bond GLY 89 O 1
hydrogen bond THR 83 O 1
hydrogen bond THR 87 O 1
hydrogen bond GLY 89 N 1
hydrophobic contacts LEU 138 C 4
hydrophobic contacts PHE 85 C 4
hydrophobic contacts LEU 16 C 4
hydrophobic contacts VAL 67 C 4
hydrophobic contacts ALA 148 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts MET 86 C 2
hydrophobic contacts PHE 150 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond THR 87 O 1
hydrogen bond TYR 88 O 1
hydrogen bond GLY 17 N 1
hydrophobic contacts LEU 138 C 4
hydrophobic contacts LEU 16 C 4
hydrophobic contacts TYR 21 C 4
hydrophobic contacts ALA 37 C 2
hydrogen bond MET 86 O 1
hydrogen bond THR 87 O 1
hydrogen bond TYR 88 O 1
hydrogen bond THR 83 O 1
hydrogen bond GLY 89 N 1
hydrophobic contacts LEU 138 C 4
hydrophobic contacts PHE 85 C 4
hydrophobic contacts LEU 16 C 4
hydrophobic contacts VAL 67 C 4
hydrophobic contacts ALA 148 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts MET 86 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond GLU 26 O 1
hydrogen bond MET 86 O 1
hydrogen bond HIS 14 N 1
halogenbond ASP 149 O 1
hydrophobic contacts PHE 85 C 4
hydrophobic contacts ILE 81 C 2
hydrophobic contacts LYS 39 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts LEU 16 C 2
hydrophobic contacts THR 83 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond GLU 26 O 1
hydrogen bond MET 86 O 1
hydrogen bond HIS 14 N 1
hydrogen bond THR 83 O 1
halogenbond ALA 37 O 1
hydrophobic contacts ALA 148 C 2
hydrophobic contacts ILE 81 C 2
hydrophobic contacts LYS 39 C 2
hydrophobic contacts PHE 85 C 2
hydrophobic contacts LEU 16 C 2
hydrophobic contacts PHE 150 C 2
hydrophobic contacts THR 83 C 2
hydrophobic contacts TYR 21 C 2
hydrophobic contacts VAL 67 C 2
hydrophobic contacts LEU 16 C 6
hydrophobic contacts LEU 138 C 2
hydrophobic contacts PHE 85 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond GLY 89 N 1
hydrophobic contacts LEU 16 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts PHE 85 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts LEU 16 C 6
hydrophobic contacts PHE 150 C 6
hydrophobic contacts LYS 39 C 4
hydrophobic contacts ILE 81 C 2
hydrophobic contacts PHE 85 C 2
hydrophobic contacts THR 83 C 2
hydrophobic contacts VAL 67 C 2
hydrogen bond THR 87 O 1
hydrogen bond THR 83 O 1
hydrophobic contacts LEU 138 C 4
hydrophobic contacts LEU 16 C 4
hydrophobic contacts TYR 21 C 4
hydrophobic contacts PHE 85 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond THR 87 O 1
hydrogen bond TYR 88 O 1
halogenbond ASP 149 O 2
halogenbond GLU 54 O 1
hydrophobic contacts PHE 85 C 4
hydrophobic contacts LEU 16 C 4
hydrophobic contacts TYR 21 C 4
hydrophobic contacts VAL 67 C 4
hydrophobic contacts ALA 148 C 2
hydrophobic contacts LEU 138 C 2
hydrophobic contacts PHE 150 C 2
hydrogen bond GLU 84 O 1
hydrogen bond THR 83 O 1
hydrogen bond GLU 54 O 1
halogenbond GLU 54 O 1
hydrophobic contacts LEU 16 C 6
hydrophobic contacts LYS 39 C 4
hydrophobic contacts PHE 150 C 4
hydrophobic contacts ILE 81 C 2
hydrophobic contacts THR 83 C 2
hydrophobic contacts TYR 21 C 2
hydrophobic contacts PHE 85 C 4
hydrophobic contacts LEU 16 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond MET 86 O 1
hydrogen bond THR 87 O 1
hydrogen bond THR 83 O 1
halogenbond ASP 149 O 1
hydrophobic contacts LEU 16 C 4
hydrophobic contacts ILE 81 C 2
hydrophobic contacts LYS 39 C 2
hydrophobic contacts PHE 85 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts THR 83 C 2
hydrophobic contacts TYR 21 C 2
hydrogen bond GLY 17 N 1
hydrophobic contacts LEU 16 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts TYR 21 C 2
hydrophobic contacts VAL 67 C 2
hydrogen bond MET 86 O 1
hydrogen bond ASP 149 O 1
hydrogen bond GLU 54 O 1
hydrogen bond GLY 89 N 1
halogenbond GLU 54 O 1
hydrophobic contacts TYR 21 C 8
hydrophobic contacts VAL 24 C 6
hydrophobic contacts LYS 39 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts PHE 85 C 2
hydrophobic contacts MET 86 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts PHE 150 C 2
hydrophobic contacts PHE 85 C 4
hydrophobic contacts LEU 16 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond THR 87 O 1
hydrogen bond THR 83 O 1
hydrogen bond GLY 89 N 1
hydrophobic contacts TYR 21 C 10
hydrophobic contacts VAL 24 C 6
hydrophobic contacts PHE 85 C 4
hydrophobic contacts PHE 150 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts LEU 16 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond TYR 88 O 1
hydrophobic contacts LEU 16 C 6
hydrophobic contacts TYR 21 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond MET 86 O 1
halogenbond THR 87 O 1
hydrophobic contacts TYR 21 C 8
hydrophobic contacts PHE 85 C 4
hydrophobic contacts LEU 16 C 4
hydrophobic contacts VAL 24 C 4
hydrophobic contacts PHE 150 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond MET 86 O 1
hydrogen bond GLU 26 O 1
hydrogen bond TYR 88 O 1
hydrophobic contacts LEU 138 C 4
hydrophobic contacts LEU 16 C 4
hydrophobic contacts VAL 67 C 4
hydrophobic contacts ALA 148 C 2
hydrophobic contacts PHE 85 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts PHE 150 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond MET 86 O 1
hydrogen bond TYR 88 O 1
hydrogen bond LYS 39 N 1
hydrogen bond GLY 17 N 1
hydrogen bond GLY 89 N 1
halogenbond THR 83 O 1
halogenbond ALA 37 O 1
halogenbond ILE 81 O 1
hydrophobic contacts LYS 39 C 4
hydrophobic contacts LEU 16 C 4
hydrophobic contacts VAL 24 C 4
hydrophobic contacts TYR 21 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts MET 86 C 2
hydrophobic contacts PHE 150 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond MET 86 O 1
hydrogen bond TYR 88 O 1
halogenbond GLU 26 O 2
halogenbond MET 86 O 1
hydrophobic contacts TYR 21 C 10
hydrophobic contacts VAL 24 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts PHE 85 C 2
hydrophobic contacts LEU 16 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts PHE 150 C 2
hydrogen bond GLU 54 O 1
hydrogen bond THR 83 O 1
halogenbond MET 86 O 1
hydrophobic contacts TYR 21 C 6
hydrophobic contacts LEU 138 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts THR 83 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond TYR 88 O 1
hydrogen bond LYS 39 N 1
hydrogen bond GLY 89 N 1
halogenbond THR 83 O 1
halogenbond ALA 37 O 1
halogenbond ILE 81 O 1
hydrophobic contacts LYS 39 C 4
hydrophobic contacts PHE 85 C 4
hydrophobic contacts LEU 16 C 4
hydrophobic contacts VAL 24 C 4
hydrophobic contacts TYR 21 C 4
hydrophobic contacts MET 86 C 2
hydrophobic contacts PHE 150 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond GLU 54 O 1
hydrogen bond THR 83 O 1
halogenbond MET 86 O 1
hydrophobic contacts TYR 21 C 6
hydrophobic contacts LEU 138 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts THR 83 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond GLU 84 O 1
hydrogen bond TYR 88 O 1
hydrogen bond THR 83 O 1
halogenbond THR 83 O 1
halogenbond ALA 37 O 1
hydrophobic contacts LEU 16 C 8
hydrophobic contacts LYS 39 C 6
hydrophobic contacts VAL 24 C 4
hydrophobic contacts PHE 150 C 4
hydrophobic contacts TYR 21 C 2
hydrogen bond ASP 93 O 2
hydrogen bond MET 86 O 1
hydrogen bond THR 87 O 1
hydrogen bond TYR 88 O 1
hydrogen bond ASN 90 N 1
hydrogen bond GLN 20 N 1
hydrogen bond MET 86 N 1
hydrophobic contacts TYR 21 C 8
hydrophobic contacts LEU 16 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts PHE 150 C 2
hydrogen bond TYR 88 O 1
halogenbond GLU 26 O 1
hydrophobic contacts LEU 16 C 6
hydrophobic contacts TYR 21 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts PHE 85 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond MET 86 O 1
hydrogen bond THR 83 O 1
hydrophobic contacts TYR 21 C 6
hydrophobic contacts LEU 138 C 4
hydrophobic contacts PHE 85 C 4
hydrophobic contacts ILE 81 C 2
hydrophobic contacts LYS 39 C 2
hydrophobic contacts THR 83 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond MET 86 O 1
hydrogen bond TYR 21 O 1
hydrogen bond THR 87 O 1
hydrogen bond GLY 89 N 1
hydrophobic contacts TYR 21 C 8
hydrophobic contacts LEU 16 C 6
hydrophobic contacts LEU 138 C 2
hydrophobic contacts PHE 85 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts PHE 150 C 2
hydrogen bond MET 86 O 1
hydrogen bond GLY 17 N 1
hydrophobic contacts LEU 16 C 6
hydrophobic contacts PHE 85 C 4
hydrophobic contacts VAL 24 C 4
hydrophobic contacts TYR 21 C 4
hydrophobic contacts PHE 150 C 4
hydrophobic contacts ALA 37 C 2
hydrogen bond TYR 88 O 1
hydrophobic contacts LEU 16 C 4
hydrophobic contacts TYR 21 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts PHE 85 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond GLU 26 O 2
hydrogen bond THR 87 O 1
hydrophobic contacts PHE 85 C 8
hydrophobic contacts LEU 16 C 6
hydrophobic contacts LEU 138 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond MET 86 O 1
halogenbond MET 86 O 1
hydrophobic contacts TYR 21 C 10
hydrophobic contacts LEU 138 C 4
hydrophobic contacts VAL 24 C 2
hydrophobic contacts LEU 16 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts PHE 150 C 2
hydrogen bond TYR 88 O 1
halogenbond MET 86 O 1
hydrophobic contacts TYR 21 C 8
hydrophobic contacts VAL 24 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts LEU 16 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond TYR 88 O 1
halogenbond GLU 26 O 1
hydrophobic contacts TYR 21 C 8
hydrophobic contacts LEU 16 C 6
hydrophobic contacts PHE 85 C 4
hydrophobic contacts VAL 24 C 4
hydrophobic contacts PHE 150 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond MET 86 O 1
halogenbond MET 86 O 1
hydrophobic contacts TYR 21 C 10
hydrophobic contacts VAL 24 C 4
hydrophobic contacts PHE 150 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts LEU 16 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond ASP 93 O 2
hydrogen bond MET 86 O 1
hydrogen bond GLN 20 N 1
halogenbond THR 83 O 1
halogenbond ALA 37 O 1
hydrophobic contacts LYS 39 C 4
hydrophobic contacts PHE 85 C 4
hydrophobic contacts PHE 150 C 4
hydrophobic contacts VAL 67 C 4
hydrophobic contacts ALA 148 C 2
hydrophobic contacts LEU 16 C 2
hydrogen bond MET 86 O 1
hydrogen bond THR 83 O 1
halogenbond ASP 149 O 1
halogenbond THR 83 O 1
halogenbond ALA 37 O 1
halogenbond ILE 81 O 1
hydrophobic contacts LYS 39 C 4
hydrophobic contacts PHE 85 C 4
hydrophobic contacts ILE 81 C 2
hydrophobic contacts LEU 138 C 2
hydrophobic contacts PHE 150 C 2
hydrophobic contacts LEU 16 C 2
hydrogen bond THR 83 O 1
hydrogen bond ASP 93 O 1
hydrophobic contacts LEU 16 C 4
hydrophobic contacts TYR 21 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond THR 87 O 1
hydrogen bond TYR 88 O 1
hydrogen bond ASP 93 O 1
hydrophobic contacts LEU 16 C 6
hydrophobic contacts PHE 85 C 4
hydrophobic contacts TYR 21 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond THR 87 O 1
hydrogen bond TYR 88 O 1
hydrogen bond ASP 93 O 1
hydrophobic contacts LEU 16 C 6
hydrophobic contacts PHE 85 C 4
hydrophobic contacts TYR 21 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond TYR 88 O 1
halogenbond GLU 26 O 1
hydrophobic contacts TYR 21 C 10
hydrophobic contacts VAL 24 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts PHE 85 C 2
hydrophobic contacts LEU 16 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts PHE 150 C 2
hydrogen bond MET 86 O 1
hydrogen bond THR 87 O 1
hydrogen bond GLY 17 N 1
hydrophobic contacts LEU 16 C 6
hydrophobic contacts VAL 24 C 6
hydrophobic contacts PHE 150 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts PHE 85 C 2
hydrophobic contacts TYR 21 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond GLU 26 O 1
hydrogen bond THR 87 O 1
hydrogen bond MET 86 O 1
hydrophobic contacts LEU 138 C 2
hydrophobic contacts LEU 16 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts MET 86 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts VAL 67 C 2
hydrogen bond MET 86 O 1
halogenbond LEU 16 O 1
hydrophobic contacts TYR 21 C 8
hydrophobic contacts PHE 150 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts LEU 16 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond MET 86 O 1
hydrogen bond TYR 21 O 1
hydrogen bond ASP 93 O 1
hydrophobic contacts LEU 16 C 6
hydrophobic contacts TYR 21 C 4
hydrophobic contacts VAL 24 C 2
hydrogen bond TYR 21 O 1
hydrophobic contacts LEU 16 C 6
hydrophobic contacts TYR 21 C 4
hydrophobic contacts PHE 85 C 2
hydrogen bond ASP 149 O 1
hydrogen bond THR 83 O 1
hydrogen bond GLY 17 N 1
hydrophobic contacts TYR 21 C 10
hydrophobic contacts LEU 138 C 6
hydrophobic contacts PHE 85 C 4
hydrophobic contacts LEU 16 C 4
hydrophobic contacts PHE 150 C 4
hydrophobic contacts ILE 81 C 2
hydrophobic contacts LYS 39 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts THR 83 C 2
hydrophobic contacts GLU 54 C 2
hydrogen bond MET 86 O 1
hydrogen bond THR 87 O 1
hydrogen bond TYR 88 O 1
hydrophobic contacts LEU 16 C 4
hydrophobic contacts TYR 21 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts PHE 85 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts MET 86 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond THR 87 O 1
hydrogen bond TYR 88 O 1
hydrophobic contacts LEU 16 C 4
hydrophobic contacts PHE 85 C 4
hydrogen bond MET 86 O 1
hydrogen bond TYR 21 O 1
hydrogen bond MET 86 N 1
hydrophobic contacts LEU 16 C 6
hydrophobic contacts TYR 21 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts PHE 85 C 2
hydrophobic contacts VAL 24 C 2
hydrogen bond MET 86 O 1
halogenbond LEU 16 O 1
hydrophobic contacts PHE 150 C 4
hydrophobic contacts TYR 21 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts LEU 16 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts LEU 16 C 6
hydrophobic contacts TYR 21 C 6
hydrophobic contacts LEU 138 C 4
hydrophobic contacts VAL 24 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond MET 86 O 1
hydrophobic contacts PHE 150 C 4
hydrophobic contacts TYR 21 C 4
hydrophobic contacts LEU 138 C 2
hydrophobic contacts PHE 85 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts LEU 16 C 2
hydrophobic contacts ALA 37 C 2
hydrogen bond TYR 88 O 1
hydrogen bond THR 35 O 1
halogenbond LYS 15 O 1
hydrophobic contacts PHE 85 C 2
hydrophobic contacts TYR 21 C 2
hydrophobic contacts LEU 16 C 2
hydrogen bond MET 86 O 1
hydrogen bond THR 87 O 1
hydrogen bond ASN 90 N 1
hydrogen bond ASP 93 O 1
halogenbond ASP 93 O 1
hydrophobic contacts TYR 21 C 10
hydrophobic contacts LEU 138 C 4
hydrophobic contacts PHE 85 C 2
hydrophobic contacts LEU 16 C 2
hydrophobic contacts VAL 24 C 2
hydrogen bond MET 86 O 1
hydrogen bond THR 83 O 1
hydrogen bond GLY 17 N 1
hydrophobic contacts LEU 138 C 2
hydrophobic contacts PHE 85 C 2
hydrophobic contacts VAL 24 C 2
hydrophobic contacts LEU 16 C 2
hydrophobic contacts ALA 37 C 2
hydrophobic contacts VAL 67 C 2

Interaction frequency analysis for reference

Interaction
Residue Residue_ID Residue_Atom Frequency
hydrogen bond MET 86 O 42
hydrogen bond TYR 88 O 27
hydrogen bond THR 87 O 26
hydrogen bond THR 83 O 19
hydrogen bond GLY 17 N 16
hydrogen bond GLU 26 O 11
hydrogen bond GLY 89 N 9
hydrogen bond ASP 93 O 9
hydrogen bond GLU 54 O 5
hydrogen bond LYS 39 N 5
hydrogen bond HIS 14 N 5
hydrogen bond ASP 149 O 4
hydrogen bond ILE 81 O 4
hydrogen bond TYR 21 O 4
hydrogen bond PHE 150 N 3
hydrogen bond GLU 84 O 3
hydrogen bond ASN 90 N 2
hydrogen bond GLN 20 N 2
hydrogen bond MET 86 N 2
hydrogen bond VAL 38 N 1
hydrogen bond ASP 149 N 1
hydrogen bond ALA 37 O 1
hydrogen bond GLY 89 O 1
hydrogen bond THR 35 O 1
hydrophobic contacts LEU 16 C 372
hydrophobic contacts TYR 21 C 364
hydrophobic contacts PHE 85 C 266
hydrophobic contacts LEU 138 C 210
hydrophobic contacts VAL 24 C 194
hydrophobic contacts PHE 150 C 190
hydrophobic contacts ALA 37 C 160
hydrophobic contacts LYS 39 C 110
hydrophobic contacts VAL 67 C 72
hydrophobic contacts ILE 81 C 58
hydrophobic contacts THR 83 C 38
hydrophobic contacts MET 86 C 28
hydrophobic contacts ALA 148 C 16
hydrophobic contacts GLU 54 C 4
hydrophobic contacts THR 87 C 2
halogenbond ASP 149 O 11
halogenbond GLU 54 O 10
halogenbond THR 83 O 8
halogenbond ALA 37 O 8
halogenbond ILE 81 O 7
halogenbond GLU 26 O 7
halogenbond MET 86 O 6
halogenbond THR 87 O 4
halogenbond ASP 93 O 3
halogenbond GLY 17 O 2
halogenbond TYR 88 O 2
halogenbond LEU 16 O 2
halogenbond LYS 15 O 1

Cluster

  • Clustering Failed