## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
D |
53 |
15 |
4674 |
◊ |
A |
-x+3,y-1/2,-z+3 |
2_848 |
55 |
14 |
4509 |
565.7 |
-11.6 |
0.011 |
0 |
0 |
0 |
1.000 |
2 |
|
C |
54 |
15 |
4473 |
◊ |
B |
-x+3,y-1/2,-z+2 |
2_847 |
47 |
15 |
4718 |
536.0 |
-12.0 |
0.005 |
0 |
0 |
0 |
1.000 |
Average: |
550.9 |
-11.8 |
0.008 |
0 |
0 |
0 |
1.000 |
2 |
3 |
|
C |
46 |
14 |
4473 |
◊ |
B |
-x+2,y-1/2,-z+2 |
2_747 |
50 |
14 |
4718 |
481.8 |
-2.1 |
0.374 |
6 |
2 |
0 |
0.000 |
4 |
|
D |
49 |
14 |
4674 |
◊ |
A |
-x+2,y-1/2,-z+3 |
2_748 |
48 |
15 |
4509 |
452.9 |
-2.3 |
0.389 |
6 |
1 |
0 |
0.000 |
Average: |
467.4 |
-2.2 |
0.381 |
6 |
2 |
0 |
0.000 |
3 |
5 |
|
B |
21 |
6 |
4718 |
◊ |
A |
x,y,z |
1_555 |
30 |
9 |
4509 |
228.1 |
2.7 |
0.808 |
5 |
5 |
0 |
0.000 |
6 |
|
D |
20 |
6 |
4674 |
◊ |
C |
x,y,z |
1_555 |
24 |
10 |
4473 |
206.9 |
1.3 |
0.719 |
3 |
4 |
0 |
0.000 |
Average: |
217.5 |
2.0 |
0.763 |
4 |
5 |
0 |
0.000 |
4 |
7 |
|
B |
22 |
7 |
4718 |
◊ |
C |
x-1,y,z |
1_455 |
25 |
8 |
4473 |
205.4 |
1.0 |
0.607 |
4 |
1 |
0 |
0.000 |
5 |
8 |
|
B |
22 |
8 |
4718 |
◊ |
D |
x,y,z-1 |
1_554 |
20 |
6 |
4674 |
177.4 |
0.6 |
0.614 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
D |
15 |
7 |
4674 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
4509 |
166.5 |
1.7 |
0.751 |
4 |
2 |
0 |
0.000 |
7 |
10 |
|
D |
17 |
6 |
4674 |
◊ |
C |
x-1,y,z |
1_455 |
14 |
6 |
4473 |
149.7 |
1.9 |
0.788 |
4 |
5 |
0 |
0.000 |
11 |
|
B |
20 |
6 |
4718 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
6 |
4509 |
145.5 |
2.3 |
0.794 |
6 |
5 |
0 |
0.000 |
Average: |
147.6 |
2.1 |
0.791 |
5 |
5 |
0 |
0.000 |
8 |
12 |
|
B |
13 |
4 |
4718 |
x |
B |
x-1,y,z |
1_455 |
16 |
4 |
4718 |
128.5 |
0.6 |
0.533 |
2 |
0 |
0 |
0.000 |
13 |
|
D |
12 |
4 |
4674 |
x |
D |
x-1,y,z |
1_455 |
13 |
4 |
4674 |
113.6 |
-0.1 |
0.435 |
3 |
0 |
0 |
0.000 |
Average: |
121.1 |
0.2 |
0.484 |
3 |
0 |
0 |
0.000 |
9 |
14 |
|
C |
11 |
3 |
4473 |
x |
C |
x-1,y,z |
1_455 |
14 |
5 |
4473 |
101.8 |
1.1 |
0.696 |
1 |
0 |
0 |
0.000 |
15 |
|
A |
9 |
3 |
4509 |
x |
A |
x-1,y,z |
1_455 |
15 |
6 |
4509 |
101.7 |
0.9 |
0.682 |
1 |
0 |
0 |
0.000 |
Average: |
101.7 |
1.0 |
0.689 |
1 |
0 |
0 |
0.000 |
10 |
16 |
|
B |
14 |
5 |
4718 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
19 |
7 |
4509 |
92.0 |
1.1 |
0.679 |
1 |
0 |
0 |
0.000 |
11 |
17 |
|
[GOL]D:102 |
6 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
4674 |
82.3 |
0.3 |
0.606 |
2 |
0 |
0 |
0.000 |
12 |
18 |
|
[IOD]D:101 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
4674 |
77.8 |
0.2 |
0.757 |
0 |
0 |
0 |
0.000 |
13 |
19 |
|
[IOD]A:102 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
4509 |
74.1 |
0.2 |
0.753 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
[GOL]D:102 |
6 |
1 |
218 |
◊ |
A |
-x+2,y-1/2,-z+3 |
2_748 |
9 |
5 |
4509 |
71.6 |
-0.4 |
0.514 |
1 |
0 |
0 |
0.063 |
15 |
21 |
|
[IOD]B:101 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
4718 |
70.6 |
-0.5 |
0.546 |
0 |
0 |
0 |
0.008 |
22 |
|
D |
14 |
4 |
4674 |
◊ |
[IOD]A:103 |
-x+3,y-1/2,-z+3 |
2_848 |
1 |
1 |
144 |
69.1 |
-0.4 |
0.609 |
0 |
0 |
0 |
0.008 |
23 |
|
[IOD]A:103 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
4509 |
60.0 |
-0.5 |
0.611 |
0 |
0 |
0 |
0.008 |
24 |
|
C |
14 |
6 |
4473 |
◊ |
[IOD]B:101 |
-x+3,y-1/2,-z+2 |
2_847 |
1 |
1 |
144 |
57.8 |
-0.4 |
0.608 |
0 |
0 |
0 |
0.008 |
Average: |
64.4 |
-0.5 |
0.593 |
0 |
0 |
0 |
0.008 |
16 |
25 |
|
D |
10 |
5 |
4674 |
f |
[IOD]A:101 |
-x+2,y-1/2,-z+3 |
2_748 |
1 |
1 |
144 |
66.4 |
-0.2 |
0.658 |
0 |
0 |
0 |
0.100 |
26 |
|
[IOD]B:102 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
4718 |
65.6 |
-0.2 |
0.655 |
0 |
0 |
0 |
0.100 |
Average: |
66.0 |
-0.2 |
0.656 |
0 |
0 |
0 |
0.100 |
17 |
27 |
|
C |
10 |
5 |
4473 |
f |
[EDO]B:103 |
-x+2,y-1/2,-z+2 |
2_747 |
4 |
1 |
187 |
65.6 |
1.3 |
0.232 |
2 |
0 |
0 |
0.000 |
18 |
28 |
|
[EDO]B:103 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
4718 |
64.7 |
1.8 |
0.280 |
2 |
0 |
0 |
0.000 |
19 |
29 |
|
[GOL]D:102 |
5 |
1 |
218 |
f |
D |
x-1,y,z |
1_455 |
9 |
4 |
4674 |
52.0 |
-0.8 |
0.383 |
0 |
0 |
0 |
0.110 |
20 |
30 |
|
C |
8 |
5 |
4473 |
◊ |
[IOD]B:102 |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
144 |
47.1 |
-0.1 |
0.649 |
0 |
0 |
0 |
0.000 |
31 |
|
[IOD]A:101 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
4509 |
46.5 |
-0.1 |
0.668 |
0 |
0 |
0 |
0.000 |
Average: |
46.8 |
-0.1 |
0.659 |
0 |
0 |
0 |
0.000 |
21 |
32 |
|
[EDO]B:103 |
2 |
1 |
187 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
4 |
4718 |
45.9 |
0.6 |
0.433 |
0 |
0 |
0 |
0.000 |
22 |
33 |
|
C |
6 |
3 |
4473 |
◊ |
D |
-x+3,y-1/2,-z+3 |
2_848 |
3 |
2 |
4674 |
24.0 |
1.1 |
0.822 |
0 |
0 |
0 |
0.000 |
23 |
34 |
|
B |
3 |
2 |
4718 |
◊ |
D |
x-1,y,z-1 |
1_454 |
6 |
1 |
4674 |
23.3 |
0.3 |
0.640 |
0 |
0 |
0 |
0.000 |
24 |
35 |
|
D |
2 |
2 |
4674 |
◊ |
[IOD]A:102 |
-x+3,y-1/2,-z+3 |
2_848 |
1 |
1 |
144 |
12.1 |
0.2 |
0.850 |
0 |
0 |
0 |
0.000 |
25 |
36 |
|
C |
1 |
1 |
4473 |
◊ |
A |
-x+3,y-1/2,-z+3 |
2_848 |
1 |
1 |
4509 |
2.5 |
0.1 |
0.736 |
0 |
0 |
0 |
0.000 |
26 |
37 |
|
D |
1 |
1 |
4674 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
4509 |
1.0 |
0.0 |
0.624 |
0 |
0 |
0 |
0.000 |
|