## |
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 |
|
F |
98 |
22 |
11497 |
◊ |
B |
x,y,z |
1_555 |
99 |
25 |
11465 |
965.6 |
-12.4 |
0.095 |
9 |
7 |
0 |
0.405 |
2 |
|
D |
77 |
21 |
11470 |
◊ |
A |
x,y,z |
1_555 |
77 |
20 |
11537 |
754.4 |
-10.6 |
0.077 |
8 |
7 |
0 |
0.405 |
3 |
|
G |
76 |
20 |
11290 |
◊ |
E |
x,y,z |
1_555 |
78 |
20 |
11378 |
747.7 |
-10.8 |
0.082 |
6 |
4 |
0 |
0.405 |
4 |
|
H |
75 |
20 |
11624 |
◊ |
C |
x,y,z |
1_555 |
78 |
20 |
11082 |
745.3 |
-11.3 |
0.061 |
6 |
5 |
0 |
0.405 |
Average: |
803.2 |
-11.3 |
0.079 |
7 |
6 |
0 |
0.405 |
2 |
5 |
|
E |
60 |
16 |
11378 |
x |
E |
-x+1,y-1/2,-z |
2_645 |
62 |
17 |
11378 |
527.0 |
-3.5 |
0.417 |
5 |
1 |
0 |
0.000 |
6 |
|
A |
44 |
14 |
11537 |
x |
A |
-x,y-1/2,-z |
2_545 |
41 |
15 |
11537 |
376.3 |
-3.7 |
0.288 |
5 |
0 |
0 |
0.000 |
7 |
|
F |
45 |
13 |
11497 |
x |
F |
-x+1,y-1/2,-z+1 |
2_646 |
38 |
13 |
11497 |
361.6 |
-4.2 |
0.273 |
5 |
0 |
0 |
0.000 |
Average: |
421.7 |
-3.8 |
0.326 |
5 |
0 |
0 |
0.000 |
3 |
8 |
|
G |
51 |
14 |
11290 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
47 |
19 |
11497 |
445.4 |
-4.4 |
0.331 |
1 |
0 |
0 |
0.005 |
4 |
9 |
|
G |
49 |
13 |
11290 |
◊ |
A |
x,y-1,z |
1_545 |
50 |
13 |
11537 |
437.9 |
-1.5 |
0.577 |
5 |
2 |
0 |
0.000 |
10 |
|
E |
46 |
12 |
11378 |
◊ |
D |
x,y-1,z |
1_545 |
49 |
13 |
11470 |
429.5 |
-0.9 |
0.611 |
6 |
2 |
0 |
0.000 |
11 |
|
C |
51 |
12 |
11082 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
48 |
14 |
11497 |
424.4 |
1.5 |
0.805 |
4 |
2 |
0 |
0.000 |
12 |
|
H |
51 |
14 |
11624 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
50 |
12 |
11465 |
420.6 |
-1.2 |
0.610 |
5 |
2 |
0 |
0.000 |
Average: |
428.1 |
-0.5 |
0.651 |
5 |
2 |
0 |
0.000 |
5 |
13 |
|
D |
48 |
14 |
11470 |
◊ |
C |
x,y,z |
1_555 |
53 |
16 |
11082 |
418.1 |
1.0 |
0.766 |
7 |
3 |
0 |
0.000 |
6 |
14 |
|
C |
37 |
12 |
11082 |
◊ |
A |
x,y-1,z |
1_545 |
45 |
13 |
11537 |
377.5 |
-2.6 |
0.199 |
4 |
0 |
0 |
0.000 |
15 |
|
H |
42 |
13 |
11624 |
◊ |
D |
x,y-1,z |
1_545 |
34 |
10 |
11470 |
323.2 |
-0.8 |
0.448 |
3 |
0 |
0 |
0.000 |
Average: |
350.4 |
-1.7 |
0.323 |
4 |
0 |
0 |
0.000 |
7 |
16 |
|
G |
31 |
10 |
11290 |
◊ |
B |
x,y,z |
1_555 |
40 |
12 |
11465 |
324.7 |
-2.5 |
0.433 |
4 |
0 |
0 |
0.000 |
8 |
17 |
|
H |
37 |
12 |
11624 |
◊ |
A |
x,y-1,z |
1_545 |
42 |
13 |
11537 |
319.9 |
4.0 |
0.916 |
6 |
4 |
0 |
0.000 |
9 |
18 |
|
B |
32 |
10 |
11465 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
27 |
8 |
11497 |
291.7 |
-2.5 |
0.354 |
2 |
0 |
0 |
0.000 |
19 |
|
D |
33 |
10 |
11470 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
28 |
8 |
11537 |
288.9 |
-2.8 |
0.285 |
2 |
0 |
0 |
0.000 |
Average: |
290.3 |
-2.7 |
0.319 |
2 |
0 |
0 |
0.000 |
10 |
20 |
|
E |
32 |
11 |
11378 |
◊ |
G |
-x+1,y-1/2,-z |
2_645 |
34 |
9 |
11290 |
271.0 |
-2.1 |
0.454 |
2 |
0 |
0 |
0.000 |
11 |
21 |
|
C |
26 |
7 |
11082 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
11465 |
233.0 |
-3.0 |
0.244 |
1 |
0 |
0 |
0.000 |
12 |
22 |
|
D |
22 |
8 |
11470 |
◊ |
B |
x,y,z |
1_555 |
27 |
12 |
11465 |
223.9 |
-2.9 |
0.277 |
3 |
0 |
0 |
0.000 |
13 |
23 |
|
[SO4]D:306 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
19 |
10 |
11470 |
124.7 |
-18.8 |
0.712 |
3 |
0 |
0 |
0.361 |
14 |
24 |
|
[SO4]G:309 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
19 |
11 |
11290 |
121.5 |
-18.4 |
0.721 |
5 |
0 |
0 |
0.595 |
25 |
|
[SO4]C:303 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
15 |
10 |
11082 |
118.0 |
-18.6 |
0.755 |
5 |
0 |
0 |
0.595 |
26 |
|
[SO4]F:308 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
18 |
10 |
11497 |
115.9 |
-17.4 |
0.704 |
4 |
0 |
0 |
0.595 |
Average: |
118.5 |
-18.1 |
0.727 |
5 |
0 |
0 |
0.595 |
15 |
27 |
|
[SO4]F:307 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
9 |
5 |
11497 |
79.3 |
-9.7 |
0.956 |
4 |
0 |
0 |
0.197 |
16 |
28 |
|
[SO4]D:305 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
11470 |
77.0 |
-9.2 |
0.954 |
4 |
0 |
0 |
0.197 |
29 |
|
[SO4]H:310 |
5 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
11 |
5 |
11624 |
76.9 |
-9.7 |
0.925 |
3 |
0 |
0 |
0.197 |
Average: |
77.0 |
-9.5 |
0.940 |
4 |
0 |
0 |
0.197 |
17 |
30 |
|
[SO4]C:304 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
11082 |
76.5 |
-9.4 |
0.949 |
4 |
0 |
0 |
0.193 |
18 |
31 |
|
[SO4]B:302 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
11465 |
73.9 |
-8.7 |
0.956 |
3 |
0 |
0 |
0.172 |
19 |
32 |
|
[SO4]A:301 |
5 |
1 |
178 |
f |
A |
x,y-1,z |
1_545 |
8 |
4 |
11537 |
72.0 |
-8.2 |
0.951 |
3 |
0 |
0 |
0.170 |
20 |
33 |
|
C |
8 |
3 |
11082 |
◊ |
D |
x,y-1,z |
1_545 |
9 |
3 |
11470 |
67.9 |
0.7 |
0.768 |
0 |
0 |
0 |
0.000 |
21 |
34 |
|
H |
10 |
3 |
11624 |
◊ |
E |
x-1,y,z |
1_455 |
5 |
1 |
11378 |
67.0 |
-0.0 |
0.614 |
1 |
0 |
0 |
0.000 |
22 |
35 |
|
H |
4 |
1 |
11624 |
◊ |
A |
-x,y-3/2,-z |
2_535 |
8 |
2 |
11537 |
54.8 |
-0.3 |
0.530 |
0 |
0 |
0 |
0.000 |
23 |
36 |
|
H |
5 |
3 |
11624 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
7 |
3 |
11497 |
47.4 |
0.1 |
0.676 |
0 |
0 |
0 |
0.000 |
37 |
|
G |
9 |
3 |
11290 |
◊ |
D |
x,y-1,z |
1_545 |
5 |
2 |
11470 |
45.3 |
0.2 |
0.685 |
0 |
0 |
0 |
0.000 |
38 |
|
E |
4 |
3 |
11378 |
◊ |
A |
x,y-1,z |
1_545 |
5 |
3 |
11537 |
39.6 |
0.3 |
0.717 |
0 |
0 |
0 |
0.000 |
Average: |
44.1 |
0.2 |
0.693 |
0 |
0 |
0 |
0.000 |
24 |
39 |
|
G |
7 |
4 |
11290 |
◊ |
F |
x,y-1,z |
1_545 |
5 |
1 |
11497 |
34.1 |
-0.6 |
0.450 |
0 |
0 |
0 |
0.000 |
25 |
40 |
|
G |
2 |
2 |
11290 |
◊ |
[SO4]F:307 |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
185 |
9.7 |
-1.3 |
0.592 |
0 |
0 |
0 |
0.001 |
26 |
41 |
|
H |
1 |
1 |
11624 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
2 |
1 |
11470 |
6.6 |
-0.2 |
0.373 |
0 |
0 |
0 |
0.000 |
|