| ## |
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 |
|
C |
59 |
14 |
3817 |
◊ |
A |
x,y,z |
1_555 |
96 |
35 |
9475 |
699.0 |
-7.2 |
0.258 |
13 |
1 |
0 |
0.334 |
2 |
|
I |
59 |
14 |
3805 |
◊ |
B |
x,y,z |
1_555 |
93 |
32 |
9669 |
687.9 |
-6.5 |
0.242 |
13 |
1 |
0 |
0.334 |
| Average: |
693.4 |
-6.8 |
0.250 |
13 |
1 |
0 |
0.334 |
| 2 |
3 |
|
B |
51 |
15 |
9669 |
◊ |
A |
x,y,z |
1_555 |
50 |
16 |
9475 |
442.6 |
-2.3 |
0.453 |
3 |
0 |
0 |
0.000 |
| 3 |
4 |
|
C |
31 |
13 |
3817 |
◊ |
I |
x,y-1,z |
1_545 |
32 |
13 |
3805 |
391.0 |
-3.5 |
0.315 |
8 |
0 |
0 |
0.006 |
| 4 |
5 |
|
A |
35 |
10 |
9475 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
34 |
14 |
9475 |
304.8 |
-0.1 |
0.621 |
1 |
0 |
0 |
0.000 |
| 5 |
6 |
|
A |
27 |
8 |
9475 |
◊ |
I |
x,y-1,z |
1_545 |
26 |
7 |
3805 |
246.1 |
0.4 |
0.669 |
5 |
5 |
0 |
0.004 |
7 |
|
C |
24 |
8 |
3817 |
◊ |
B |
x,y-1,z |
1_545 |
29 |
9 |
9669 |
237.2 |
0.8 |
0.678 |
4 |
6 |
0 |
0.004 |
| Average: |
241.7 |
0.6 |
0.673 |
5 |
6 |
0 |
0.004 |
| 6 |
8 |
|
A |
26 |
9 |
9475 |
x |
A |
x-1,y,z |
1_455 |
30 |
12 |
9475 |
240.9 |
-0.7 |
0.573 |
3 |
0 |
0 |
0.000 |
9 |
|
B |
31 |
11 |
9669 |
x |
B |
x-1,y,z |
1_455 |
22 |
8 |
9669 |
238.7 |
-0.2 |
0.600 |
4 |
0 |
0 |
0.000 |
| Average: |
239.8 |
-0.4 |
0.586 |
4 |
0 |
0 |
0.000 |
| 7 |
10 |
|
I |
28 |
7 |
3805 |
◊ |
C |
x-1,y+1,z |
1_465 |
27 |
7 |
3817 |
230.4 |
1.4 |
0.727 |
2 |
2 |
0 |
0.000 |
| 8 |
11 |
|
B |
22 |
8 |
9669 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
22 |
6 |
9669 |
175.6 |
-1.3 |
0.376 |
1 |
2 |
0 |
0.000 |
| 9 |
12 |
|
A |
21 |
9 |
9475 |
◊ |
I |
-x,y-1/2,-z-1/2 |
3_544 |
21 |
5 |
3805 |
172.8 |
1.5 |
0.773 |
3 |
2 |
0 |
0.000 |
| 10 |
13 |
|
[SO4]I:102 |
5 |
1 |
187 |
f |
I |
x,y,z |
1_555 |
19 |
5 |
3805 |
98.3 |
-13.8 |
0.760 |
4 |
0 |
0 |
0.223 |
| 11 |
14 |
|
I |
10 |
4 |
3805 |
f |
[SO4]C:102 |
x-1,y+1,z |
1_465 |
5 |
1 |
187 |
88.1 |
-12.7 |
0.749 |
3 |
0 |
0 |
0.201 |
| 12 |
15 |
|
[SO4]C:101 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
3817 |
84.0 |
-11.3 |
0.836 |
3 |
0 |
0 |
0.321 |
| 13 |
16 |
|
B |
10 |
5 |
9669 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
5 |
9475 |
83.7 |
-1.2 |
0.363 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[SO4]I:101 |
5 |
1 |
186 |
f |
I |
x,y,z |
1_555 |
11 |
8 |
3805 |
79.1 |
-10.7 |
0.865 |
3 |
0 |
0 |
0.173 |
| 15 |
18 |
|
B |
10 |
4 |
9669 |
◊ |
C |
x-1,y+1,z |
1_465 |
13 |
4 |
3817 |
73.3 |
0.2 |
0.643 |
1 |
1 |
0 |
0.006 |
19 |
|
I |
10 |
3 |
3805 |
◊ |
A |
x-1,y+1,z |
1_465 |
7 |
3 |
9475 |
62.6 |
0.3 |
0.668 |
1 |
1 |
0 |
0.006 |
| Average: |
68.0 |
0.2 |
0.655 |
1 |
1 |
0 |
0.006 |
| 16 |
20 |
|
A |
7 |
4 |
9475 |
x |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
9 |
6 |
9475 |
64.0 |
-0.1 |
0.563 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[SO4]I:102 |
4 |
1 |
187 |
◊ |
C |
x-1,y+1,z |
1_465 |
12 |
3 |
3817 |
61.9 |
-7.5 |
0.796 |
2 |
0 |
0 |
0.118 |
| 18 |
22 |
|
[SO4]C:102 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
3817 |
58.8 |
-8.1 |
0.713 |
1 |
0 |
0 |
0.120 |
| 19 |
23 |
|
[CA]B:301 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
9669 |
44.9 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.324 |
24 |
|
[CA]A:301 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
9475 |
42.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.324 |
| Average: |
43.7 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.324 |
| 20 |
25 |
|
B |
5 |
3 |
9669 |
◊ |
I |
x,y-1,z |
1_545 |
3 |
1 |
3805 |
38.3 |
1.8 |
0.913 |
1 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[SO4]I:101 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
9669 |
28.2 |
-2.8 |
0.952 |
1 |
0 |
0 |
0.046 |
| 22 |
27 |
|
[SO4]C:101 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9475 |
15.1 |
-0.8 |
0.987 |
0 |
0 |
0 |
0.022 |
| 23 |
28 |
|
C |
2 |
1 |
3817 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
9475 |
6.8 |
-0.0 |
0.435 |
0 |
0 |
0 |
0.000 |
| 24 |
29 |
|
[SO4]C:102 |
1 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9475 |
3.6 |
-0.4 |
0.861 |
0 |
0 |
0 |
0.003 |
|