## |
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 |
|
A |
82 |
22 |
10293 |
◊ |
C |
x-1,y,z+1 |
1_456 |
93 |
39 |
10287 |
819.3 |
-4.2 |
0.431 |
21 |
0 |
0 |
0.000 |
2 |
|
C |
84 |
23 |
10287 |
◊ |
B |
x,y,z |
1_555 |
97 |
39 |
10257 |
814.6 |
-4.9 |
0.381 |
20 |
0 |
0 |
0.000 |
3 |
|
B |
80 |
21 |
10257 |
◊ |
A |
x,y,z |
1_555 |
90 |
38 |
10293 |
802.2 |
-4.0 |
0.437 |
22 |
0 |
0 |
0.000 |
Average: |
812.0 |
-4.4 |
0.417 |
21 |
0 |
0 |
0.000 |
2 |
4 |
|
A |
25 |
6 |
10293 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
22 |
7 |
10257 |
223.6 |
2.5 |
0.883 |
3 |
0 |
0 |
0.000 |
3 |
5 |
|
A |
19 |
7 |
10293 |
◊ |
B |
x-1,y,z |
1_455 |
22 |
8 |
10257 |
207.6 |
-0.2 |
0.528 |
10 |
0 |
0 |
0.031 |
4 |
6 |
|
B |
20 |
6 |
10257 |
x |
C |
-x+1,y-1/2,-z-1 |
2_644 |
17 |
7 |
10287 |
182.3 |
0.9 |
0.715 |
5 |
0 |
0 |
0.000 |
7 |
|
A |
20 |
7 |
10293 |
x |
A |
-x,y-1/2,-z |
2_545 |
17 |
5 |
10293 |
174.9 |
1.1 |
0.758 |
3 |
0 |
0 |
0.000 |
Average: |
178.6 |
1.0 |
0.736 |
4 |
0 |
0 |
0.000 |
5 |
8 |
|
B |
15 |
7 |
10257 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
21 |
5 |
10293 |
160.5 |
0.2 |
0.655 |
1 |
0 |
0 |
0.000 |
6 |
9 |
|
C |
13 |
5 |
10287 |
◊ |
B |
-x+1,y-1/2,-z-1 |
2_644 |
14 |
5 |
10257 |
135.6 |
3.0 |
0.937 |
0 |
0 |
0 |
0.000 |
7 |
10 |
|
[SO4]B:306 |
5 |
1 |
191 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
10257 |
86.6 |
-12.9 |
0.663 |
3 |
0 |
0 |
0.098 |
8 |
11 |
|
[SO4]A:306 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
10293 |
85.5 |
-12.4 |
0.666 |
3 |
0 |
0 |
0.094 |
9 |
12 |
|
C |
11 |
3 |
10287 |
x |
C |
-x+2,y-1/2,-z-1 |
2_744 |
11 |
5 |
10287 |
85.2 |
0.9 |
0.603 |
2 |
2 |
0 |
0.000 |
10 |
13 |
|
[SO4]A:303 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
10293 |
74.1 |
-11.0 |
0.740 |
5 |
0 |
0 |
0.091 |
11 |
14 |
|
[SO4]A:304 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
10257 |
73.1 |
-10.9 |
0.724 |
5 |
0 |
0 |
0.090 |
12 |
15 |
|
[SO4]B:304 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
10287 |
72.9 |
-10.9 |
0.734 |
5 |
0 |
0 |
0.026 |
13 |
16 |
|
[SO4]C:303 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
10287 |
72.3 |
-10.8 |
0.722 |
5 |
0 |
0 |
0.025 |
14 |
17 |
|
A |
8 |
3 |
10293 |
f |
[SO4]B:305 |
-x+1,y-1/2,-z |
2_645 |
5 |
1 |
186 |
65.7 |
-9.6 |
0.761 |
4 |
0 |
0 |
0.078 |
15 |
18 |
|
[SO4]A:304 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
10293 |
63.9 |
-9.3 |
0.684 |
2 |
0 |
0 |
0.000 |
16 |
19 |
|
[SO4]B:304 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
10257 |
63.7 |
-9.0 |
0.691 |
2 |
0 |
0 |
0.000 |
17 |
20 |
|
[SO4]A:303 |
5 |
1 |
186 |
◊ |
C |
x-1,y,z+1 |
1_456 |
11 |
5 |
10287 |
63.4 |
-9.1 |
0.694 |
3 |
0 |
0 |
0.000 |
18 |
21 |
|
C |
13 |
5 |
10287 |
x |
C |
-x+1,y-1/2,-z-1 |
2_644 |
7 |
3 |
10287 |
62.9 |
-1.2 |
0.288 |
1 |
0 |
0 |
0.000 |
22 |
|
A |
7 |
3 |
10293 |
x |
B |
-x,y-1/2,-z |
2_545 |
13 |
4 |
10257 |
61.7 |
-1.2 |
0.272 |
0 |
0 |
0 |
0.000 |
Average: |
62.3 |
-1.2 |
0.280 |
1 |
0 |
0 |
0.000 |
19 |
23 |
|
A |
11 |
5 |
10293 |
f |
[SO4]B:303 |
x-1,y,z |
1_455 |
5 |
1 |
185 |
61.8 |
-9.0 |
0.704 |
3 |
0 |
0 |
0.071 |
20 |
24 |
|
B |
5 |
3 |
10257 |
◊ |
[SO4]C:303 |
-x+1,y-1/2,-z-1 |
2_644 |
4 |
1 |
186 |
54.8 |
-6.1 |
0.961 |
4 |
0 |
0 |
0.000 |
21 |
25 |
|
[SO4]A:305 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
10257 |
53.3 |
-6.8 |
0.683 |
1 |
0 |
0 |
0.000 |
22 |
26 |
|
[SO4]A:305 |
5 |
1 |
186 |
f |
B |
-x+1,y-1/2,-z |
2_645 |
8 |
2 |
10257 |
53.2 |
-6.8 |
0.587 |
1 |
0 |
0 |
0.050 |
23 |
27 |
|
[SO4]B:303 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
10257 |
50.7 |
-6.9 |
0.750 |
2 |
0 |
0 |
0.054 |
24 |
28 |
|
[SO4]B:303 |
4 |
1 |
185 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
6 |
3 |
10293 |
47.5 |
-4.3 |
0.957 |
2 |
0 |
0 |
0.000 |
25 |
29 |
|
[CA]B:302 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
10257 |
47.0 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.172 |
30 |
|
[CA]C:302 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
11 |
9 |
10287 |
46.5 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.172 |
31 |
|
[CA]A:302 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
8 |
10293 |
46.2 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.172 |
Average: |
46.6 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.172 |
26 |
32 |
|
C |
3 |
1 |
10287 |
◊ |
A |
x,y,z-1 |
1_554 |
6 |
2 |
10293 |
44.0 |
1.0 |
0.888 |
0 |
0 |
0 |
0.000 |
27 |
33 |
|
[CA]B:301 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
10257 |
42.8 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.173 |
34 |
|
[CA]C:301 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
10287 |
42.7 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.173 |
35 |
|
[CA]A:301 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
10293 |
42.5 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.173 |
Average: |
42.7 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.173 |
28 |
36 |
|
[SO4]A:305 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
10293 |
40.9 |
-3.6 |
0.986 |
2 |
0 |
0 |
0.000 |
29 |
37 |
|
[SO4]B:305 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
10257 |
40.9 |
-3.4 |
0.986 |
2 |
0 |
0 |
0.000 |
30 |
38 |
|
C |
4 |
1 |
10287 |
◊ |
[SO4]B:305 |
-x+1,y-1/2,-z-1 |
2_644 |
3 |
1 |
186 |
29.6 |
-3.7 |
0.877 |
1 |
0 |
0 |
0.000 |
31 |
39 |
|
A |
1 |
1 |
10293 |
◊ |
[SO4]B:306 |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
191 |
17.0 |
-1.6 |
0.936 |
0 |
0 |
0 |
0.000 |
32 |
40 |
|
[SO4]A:306 |
1 |
1 |
186 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
3 |
1 |
10293 |
13.1 |
-1.6 |
0.701 |
0 |
0 |
0 |
0.000 |
33 |
41 |
|
B |
2 |
2 |
10257 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
3 |
3 |
10257 |
10.8 |
-0.1 |
0.501 |
0 |
0 |
0 |
0.000 |
|