## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
A |
30 |
9 |
2503 |
x |
A |
-y,x,z |
3_555 |
36 |
10 |
2503 |
299.1 |
-5.5 |
0.774 |
0 |
0 |
0 |
0.158 |
2 |
|
[OLB]A:106 |
25 |
1 |
708 |
f |
A |
x,y,z |
1_555 |
32 |
9 |
2503 |
253.1 |
-3.5 |
0.421 |
0 |
0 |
0 |
0.101 |
3 |
|
[OLB]A:105 |
19 |
1 |
728 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
2503 |
155.3 |
-1.8 |
0.415 |
2 |
0 |
0 |
0.077 |
4 |
|
A |
18 |
4 |
2503 |
◊ |
A |
-x+1,-y,z |
2_655 |
18 |
4 |
2503 |
134.5 |
-3.1 |
0.651 |
0 |
0 |
0 |
0.000 |
5 |
|
[OLB]A:106 |
14 |
1 |
708 |
f |
[OLB]A:105 |
x,y,z |
1_555 |
13 |
1 |
728 |
108.5 |
1.1 |
0.394 |
0 |
0 |
0 |
0.000 |
6 |
|
[OLB]A:105 |
12 |
1 |
728 |
◊ |
[OLB]A:105 |
-x,-y-1,z |
2_545 |
12 |
1 |
728 |
107.6 |
2.2 |
0.503 |
0 |
0 |
0 |
0.000 |
7 |
|
A |
15 |
5 |
2503 |
◊ |
[OLB]A:105 |
-y,x,z |
3_555 |
11 |
1 |
728 |
101.2 |
-1.6 |
0.443 |
0 |
0 |
0 |
0.045 |
8 |
|
[OLB]A:106 |
11 |
1 |
708 |
◊ |
[OLB]A:105 |
-x,-y-1,z |
2_545 |
12 |
1 |
728 |
87.8 |
4.3 |
0.654 |
1 |
0 |
0 |
0.000 |
9 |
|
[EDO]A:104 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
19 |
3 |
2503 |
78.2 |
2.0 |
0.335 |
0 |
0 |
0 |
0.000 |
10 |
|
[OLB]A:106 |
7 |
1 |
708 |
◊ |
A |
-y,x-1,z |
3_545 |
7 |
5 |
2503 |
75.5 |
-1.0 |
0.412 |
0 |
0 |
0 |
0.000 |
11 |
|
A |
9 |
3 |
2503 |
x |
A |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
5 |
3 |
2503 |
70.7 |
-0.4 |
0.562 |
0 |
0 |
0 |
0.000 |
12 |
|
[OLB]A:105 |
5 |
1 |
728 |
◊ |
A |
-y,x-1,z |
3_545 |
11 |
4 |
2503 |
69.5 |
-2.2 |
0.313 |
0 |
0 |
0 |
0.000 |
13 |
|
A |
6 |
3 |
2503 |
◊ |
[OLB]A:106 |
-y,x,z |
3_555 |
7 |
1 |
708 |
59.0 |
-1.9 |
0.315 |
0 |
0 |
0 |
0.054 |
14 |
|
A |
6 |
2 |
2503 |
◊ |
[OLB]A:106 |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
5 |
1 |
708 |
57.5 |
-0.2 |
0.462 |
0 |
0 |
0 |
0.000 |
15 |
|
[ACE]A:21 |
3 |
1 |
172 |
◊ |
A |
-y,x,z |
3_555 |
15 |
4 |
2503 |
49.2 |
-0.7 |
0.816 |
0 |
0 |
0 |
0.020 |
16 |
|
A |
9 |
3 |
2503 |
◊ |
[ACE]A:21 |
-y+1/2,x-1/2,z-1/2 |
7_544 |
3 |
1 |
172 |
44.8 |
-0.4 |
0.867 |
0 |
0 |
0 |
0.000 |
17 |
|
[CL]A:102 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
7 |
4 |
2503 |
42.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.170 |
18 |
|
[EDO]A:104 |
4 |
1 |
184 |
f |
A |
-y,x,z |
3_555 |
4 |
2 |
2503 |
41.3 |
0.3 |
0.788 |
0 |
0 |
0 |
0.000 |
19 |
|
[NH2]A:47 |
1 |
1 |
117 |
cf |
A |
x,y,z |
1_555 |
5 |
4 |
2503 |
38.5 |
0.5 |
0.877 |
0 |
0 |
0 |
0.000 |
20 |
|
[OLB]A:105 |
5 |
1 |
728 |
◊ |
A |
x-1/2,y-1/2,z+1/2 |
5_445 |
2 |
1 |
2503 |
37.1 |
2.0 |
0.735 |
0 |
0 |
0 |
0.000 |
21 |
|
[ACE]A:21 |
3 |
1 |
172 |
cf |
A |
x,y,z |
1_555 |
3 |
1 |
2503 |
36.8 |
-0.2 |
0.870 |
0 |
0 |
0 |
0.006 |
22 |
|
A |
3 |
1 |
2503 |
x |
A |
-y,x-1,z |
3_545 |
2 |
1 |
2503 |
34.3 |
-1.1 |
0.366 |
0 |
0 |
0 |
0.000 |
23 |
|
[OLB]A:105 |
3 |
1 |
728 |
f |
[CA]A:103 |
x,y,z |
1_555 |
1 |
1 |
85 |
32.1 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.215 |
24 |
|
[CA]A:103 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
2503 |
25.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.127 |
25 |
|
[NH2]A:47 |
1 |
1 |
117 |
◊ |
[ACE]A:21 |
-y+1/2,x-1/2,z-1/2 |
7_544 |
3 |
1 |
172 |
22.8 |
0.2 |
0.981 |
0 |
0 |
0 |
0.000 |
26 |
|
[CA]A:101 |
1 |
1 |
85 |
x |
A |
x,y,z |
1_555 |
4 |
2 |
2503 |
22.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.121 |
27 |
|
A |
1 |
1 |
2503 |
◊ |
[OLB]A:105 |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
4 |
1 |
728 |
21.1 |
-0.4 |
0.482 |
0 |
0 |
0 |
0.000 |
28 |
|
[NH2]A:47 |
1 |
1 |
117 |
◊ |
A |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
5 |
3 |
2503 |
20.7 |
0.0 |
0.827 |
0 |
0 |
0 |
0.000 |
29 |
|
A |
3 |
3 |
2503 |
◊ |
A |
-x,-y,z |
2_555 |
3 |
3 |
2503 |
16.9 |
-0.1 |
0.732 |
0 |
0 |
0 |
0.002 |
30 |
|
[EDO]A:104 |
2 |
1 |
184 |
x |
[EDO]A:104 |
-y,x,z |
3_555 |
3 |
1 |
184 |
13.9 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
31 |
|
[OLB]A:105 |
5 |
1 |
728 |
◊ |
A |
-x,-y-1,z |
2_545 |
4 |
3 |
2503 |
10.9 |
0.1 |
0.557 |
0 |
0 |
0 |
0.000 |
32 |
|
[NH2]A:47 |
1 |
1 |
117 |
◊ |
[OLB]A:105 |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
1 |
1 |
728 |
8.2 |
-0.4 |
0.400 |
0 |
0 |
0 |
0.000 |
33 |
|
[NH2]A:47 |
1 |
1 |
117 |
◊ |
A |
-y+1/2,x-1/2,z-1/2 |
7_544 |
2 |
1 |
2503 |
7.7 |
0.2 |
0.917 |
0 |
0 |
0 |
0.000 |
34 |
|
A |
1 |
1 |
2503 |
◊ |
[CA]A:103 |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
1 |
1 |
85 |
6.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
|
A |
3 |
3 |
2503 |
x |
A |
-y+1/2,x-1/2,z-1/2 |
7_544 |
1 |
1 |
2503 |
5.7 |
0.1 |
0.833 |
0 |
0 |
0 |
0.000 |
36 |
|
[ACE]A:21 |
1 |
1 |
172 |
◊ |
[OLB]A:105 |
-y,x,z |
3_555 |
1 |
1 |
728 |
5.1 |
-0.2 |
0.516 |
0 |
0 |
0 |
0.007 |
37 |
|
[CL]A:102 |
1 |
1 |
125 |
f |
[CA]A:101 |
x,y,z |
1_555 |
1 |
1 |
85 |
5.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.100 |
38 |
|
[OLB]A:106 |
1 |
1 |
708 |
◊ |
A |
-y,x,z |
3_555 |
1 |
1 |
2503 |
2.4 |
-0.1 |
0.606 |
0 |
0 |
0 |
0.003 |
39 |
|
A |
2 |
1 |
2503 |
◊ |
[ACE]A:21 |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
2 |
1 |
172 |
2.1 |
-0.0 |
0.826 |
0 |
0 |
0 |
0.000 |
40 |
|
[CA]A:101 |
1 |
1 |
85 |
x |
[ACE]A:21 |
x,y,z |
1_555 |
2 |
1 |
172 |
1.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.010 |
41 |
|
[ACE]A:21 |
1 |
1 |
172 |
◊ |
[CA]A:103 |
-y,x,z |
3_555 |
1 |
1 |
85 |
1.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
|