Sr. no |
Name of Compound |
Interacting groups |
No. of Bonds |
H-bond distance |
GScore |
|
|
Group of Comp |
Group of amino acid |
|
|
|
1 |
B9 |
|
|
2 |
|
-9.351 |
|
|
-S |
-N-H(Arg288) |
|
4.457 |
|
|
|
-N |
-N-H(Arg288) |
|
4.250 |
|
2 |
B3 |
-N |
-N-H(Glu294) |
1 |
4.179 |
-9.171 |
3 |
A10 |
|
|
2 |
|
-9.084 |
|
|
-S |
-N-H(Glu343) |
|
4.843 |
|
|
|
-N-H |
-C-O(Glu291) |
|
4.013 |
|
4 |
A2 |
-S |
-N-H(Ser342) |
1 |
3.876 |
-8.966 |
5 |
B15 |
|
|
3 |
|
-8.706 |
|
|
-S |
-N-H(Ser342) |
|
3.466 |
|
|
|
-N-H |
-C=O(Arg280) |
|
4.168 |
|
|
|
-N-H |
-C-O(Glu259) |
|
2.912 |
|
6 |
B4 |
-N |
-N-H(Arg288) |
1 |
4.126 |
-8.518 |
7 |
B1 |
-N |
-N-H(Arg288) |
1 |
3.724 |
-8.508 |
8 |
B7 |
-N-H |
-C=O(Leu340) |
1 |
2.334 |
-8.379 |
9 |
A8 |
|
|
5 |
|
-8.377 |
|
|
-N-H |
-S-H(Met364) |
|
2.639 |
|
|
|
-C=O |
-N-H(Lys367) |
|
4.710 |
|
|
|
-N=O |
-N-H(Ser342) |
|
3.793 |
|
|
|
-N-O |
-N-H(Glu343) |
|
3.640 |
|
|
|
-O-H |
-C=O(Leu340) |
|
1.989 |
|
10 |
A7 |
|
|
3 |
|
-8.375 |
|
|
-N=O |
-N-H(Glu343) |
|
3.772 |
|
|
|
-N-O |
-N-H(Gly344) |
|
3.772 |
|
|
|
-O-H |
-C=O(Leu340) |
|
1.968 |
|
11 |
B6 |
-N |
-N-H(Arg288) |
1 |
3.772 |
-8.286 |
12 |
B8 |
|
|
2 |
|
-8.246 |
|
|
-O-H |
-N-H(His323) |
|
2.399 |
|
|
|
-N-O |
-C=O(Leu340) |
|
2.343 |
|
13 |
B14 |
|
|
3 |
|
-8.176 |
|
|
-O-H |
-N-H(His323) |
|
2.396 |
|
|
|
-O-H |
-N-H(Ala392) |
|
4.006 |
|
|
|
-N-O |
-C=O(Ile341) |
|
2.336 |
|
14 |
A6 |
-S |
-N-H(Ser342) |
1 |
3.697 |
-8.102 |
15 |
B2 |
|
|
3 |
|
-8.032 |
|
|
-S |
-N-H(Ser342) |
|
3.902 |
|
|
|
-O-H |
-C=O(Arg280) |
|
4.452 |
|
|
|
-O-H |
-C=O(Gln271) |
|
2.216 |
|
16 |
B13 |
|
|
3 |
|
-8.009 |
|
|
-N |
N-H(Arg288) |
|
4.297 |
|
|
|
-N |
-N-H(Ser342) |
|
4.699 |
|
|
|
-N-H |
-C-O(Glu259) |
|
3.158 |
|
17 |
B10 |
|
|
3 |
|
-7.897 |
|
|
-N |
-N-H(Ser342) |
|
4.629 |
|
|
|
-N |
-N-H(Arg288) |
|
4.396 |
|
|
|
-N-H |
-C-O(Glu259) |
|
3.399 |
|
18 |
B5 |
-C-O |
-O-H(Tyr473) |
1 |
2.025 |
-7.893 |
19 |
B16 |
|
|
5 |
|
-7.819 |
|
|
-S |
N-H(Ser342) |
|
3.393 |
|
|
|
-O-H |
-N-H(Ser342) |
|
3.482 |
|
|
|
-N-O |
-C=O(Gln271) |
|
5.595 |
|
|
|
-N-O |
-C-O(Glu259) |
|
3.013 |
|
|
|
-N-O |
-C=O(Arg280) |
|
3.991 |
|
20 |
B11 |
|
|
2 |
|
-7.533 |
|
|
-N-O |
-C=O(Val339) |
|
4.401 |
|
|
|
-C-O |
-O-H(Tyr473) |
|
2.084 |
|
21 |
B12 |
|
|
3 |
|
-7.495 |
|
|
-N |
-N-H(Arg288) |
|
4.587 |
|
|
|
-N |
-N-H(Ser342) |
|
4.663 |
|
|
|
-N-O |
-C-O(Glu259) |
|
3.858 |
|
22 |
B18 |
|
|
3 |
|
-7.444 |
|
|
-N |
-N-H(Ser342) |
|
2.816 |
|
|
|
-O-H |
-N-H(Glu343) |
|
4.084 |
|
|
|
-O-H |
-N-H(Arg288) |
|
4.417 |
|
23 |
B17 |
|
|
3 |
|
-6.898 |
|
|
-N-H |
-C-O(Glu259) |
|
2.537 |
|
|
|
-N |
-N-H(Ser342) |
|
4.658 |
|
|
|
-N |
-N-H(Arg288) |
|
4.620 |
|
24 |
A1 |
|
|
2 |
|
-6.841 |
|
|
-N |
-N-H(Ser342) |
|
4.020 |
|
|
|
-N-O |
-C-O(Glu259) |
|
2.557 |
|
25 |
A5 |
|
|
2 |
|
-6.677 |
|
|
-N |
-N-H(Ser342) |
|
3.298 |
|
|
|
-O-H |
-C-O(Glu259) |
|
2.178 |
|
|