## |
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 |
11112 |
◊ |
D |
x-1,y,z |
1_455 |
85 |
22 |
11185 |
725.3 |
-2.0 |
0.437 |
8 |
4 |
0 |
0.000 |
2 |
|
B |
84 |
22 |
11164 |
◊ |
C |
x,y,z-1 |
1_554 |
82 |
22 |
11277 |
710.1 |
-2.0 |
0.457 |
9 |
4 |
0 |
0.000 |
3 |
|
H |
79 |
21 |
10915 |
◊ |
F |
x,y,z |
1_555 |
78 |
21 |
10951 |
652.6 |
-1.6 |
0.473 |
6 |
4 |
0 |
0.000 |
4 |
|
G |
75 |
20 |
10915 |
◊ |
E |
x,y,z |
1_555 |
78 |
21 |
10996 |
647.3 |
-2.2 |
0.435 |
5 |
3 |
0 |
0.000 |
Average: |
683.8 |
-1.9 |
0.451 |
7 |
4 |
0 |
0.000 |
2 |
5 |
|
A |
45 |
13 |
11112 |
◊ |
C |
x-1,y,z |
1_455 |
50 |
15 |
11277 |
465.7 |
-0.9 |
0.490 |
6 |
2 |
0 |
0.000 |
6 |
|
F |
53 |
16 |
10951 |
◊ |
E |
x,y,z |
1_555 |
44 |
13 |
10996 |
464.9 |
-0.9 |
0.492 |
5 |
1 |
0 |
0.000 |
7 |
|
G |
52 |
16 |
10915 |
◊ |
H |
x,y,z-1 |
1_554 |
45 |
13 |
10915 |
464.6 |
-0.4 |
0.541 |
5 |
1 |
0 |
0.000 |
8 |
|
B |
51 |
16 |
11164 |
◊ |
D |
x-1,y,z |
1_455 |
45 |
13 |
11185 |
464.0 |
-1.0 |
0.477 |
6 |
1 |
0 |
0.000 |
9 |
|
D |
50 |
15 |
11185 |
◊ |
B |
x,y,z |
1_555 |
44 |
13 |
11164 |
462.3 |
-0.3 |
0.538 |
5 |
1 |
0 |
0.000 |
10 |
|
H |
50 |
15 |
10915 |
◊ |
G |
x-1,y,z+1 |
1_456 |
44 |
13 |
10915 |
460.1 |
-0.3 |
0.547 |
6 |
1 |
0 |
0.000 |
11 |
|
C |
44 |
13 |
11277 |
◊ |
A |
x,y,z |
1_555 |
49 |
14 |
11112 |
459.5 |
-0.4 |
0.534 |
5 |
1 |
0 |
0.000 |
12 |
|
F |
44 |
13 |
10951 |
◊ |
E |
x-1,y,z |
1_455 |
50 |
15 |
10996 |
459.3 |
-0.3 |
0.549 |
6 |
1 |
0 |
0.000 |
Average: |
462.6 |
-0.6 |
0.521 |
6 |
1 |
0 |
0.000 |
3 |
13 |
|
D |
37 |
12 |
11185 |
◊ |
E |
x,y-1,z |
1_545 |
37 |
15 |
10996 |
346.0 |
1.5 |
0.709 |
2 |
2 |
0 |
0.000 |
14 |
|
E |
35 |
12 |
10996 |
◊ |
D |
x,y,z |
1_555 |
35 |
13 |
11185 |
320.8 |
0.8 |
0.622 |
2 |
2 |
0 |
0.000 |
Average: |
333.4 |
1.1 |
0.666 |
2 |
2 |
0 |
0.000 |
4 |
15 |
|
D |
37 |
11 |
11185 |
◊ |
A |
x,y,z |
1_555 |
37 |
10 |
11112 |
304.8 |
-1.4 |
0.407 |
4 |
5 |
0 |
0.000 |
16 |
|
B |
37 |
10 |
11164 |
◊ |
C |
x-1,y,z-1 |
1_454 |
34 |
9 |
11277 |
300.0 |
-0.7 |
0.499 |
4 |
4 |
0 |
0.000 |
17 |
|
H |
37 |
10 |
10915 |
◊ |
F |
x-1,y,z |
1_455 |
35 |
9 |
10951 |
299.7 |
-0.3 |
0.538 |
5 |
4 |
0 |
0.000 |
18 |
|
G |
36 |
10 |
10915 |
◊ |
E |
x-1,y,z |
1_455 |
35 |
9 |
10996 |
299.6 |
-0.7 |
0.505 |
4 |
3 |
0 |
0.000 |
Average: |
301.0 |
-0.8 |
0.487 |
4 |
4 |
0 |
0.000 |
5 |
19 |
|
G |
39 |
13 |
10915 |
◊ |
C |
x,y,z-1 |
1_554 |
29 |
10 |
11277 |
295.4 |
0.9 |
0.625 |
5 |
2 |
0 |
0.000 |
20 |
|
A |
34 |
11 |
11112 |
◊ |
H |
x,y-1,z |
1_545 |
23 |
7 |
10915 |
259.2 |
1.0 |
0.645 |
5 |
2 |
0 |
0.000 |
Average: |
277.3 |
0.9 |
0.635 |
5 |
2 |
0 |
0.000 |
6 |
21 |
|
B |
28 |
10 |
11164 |
◊ |
A |
x,y,z |
1_555 |
22 |
7 |
11112 |
241.8 |
1.1 |
0.683 |
4 |
4 |
0 |
0.000 |
22 |
|
G |
28 |
10 |
10915 |
◊ |
F |
x,y,z-1 |
1_554 |
22 |
7 |
10951 |
241.6 |
0.9 |
0.674 |
4 |
4 |
0 |
0.000 |
23 |
|
B |
22 |
7 |
11164 |
◊ |
A |
x,y,z-1 |
1_554 |
28 |
10 |
11112 |
241.5 |
1.1 |
0.681 |
5 |
5 |
0 |
0.000 |
24 |
|
D |
22 |
7 |
11185 |
◊ |
C |
x,y,z |
1_555 |
28 |
10 |
11277 |
240.1 |
1.2 |
0.712 |
3 |
5 |
0 |
0.000 |
25 |
|
D |
28 |
10 |
11185 |
◊ |
C |
x,y,z-1 |
1_554 |
22 |
7 |
11277 |
239.5 |
1.1 |
0.692 |
4 |
5 |
0 |
0.000 |
26 |
|
H |
28 |
10 |
10915 |
◊ |
E |
x-1,y,z+1 |
1_456 |
21 |
7 |
10996 |
238.2 |
1.3 |
0.709 |
3 |
5 |
0 |
0.000 |
27 |
|
G |
20 |
7 |
10915 |
◊ |
F |
x,y,z |
1_555 |
28 |
10 |
10951 |
237.8 |
1.4 |
0.728 |
2 |
4 |
0 |
0.000 |
28 |
|
H |
22 |
7 |
10915 |
◊ |
E |
x-1,y,z |
1_455 |
28 |
10 |
10996 |
234.7 |
2.2 |
0.786 |
2 |
5 |
0 |
0.000 |
Average: |
239.4 |
1.3 |
0.708 |
3 |
5 |
0 |
0.000 |
7 |
29 |
|
D |
22 |
5 |
11185 |
◊ |
G |
x,y-1,z |
1_545 |
19 |
8 |
10915 |
210.0 |
-0.2 |
0.533 |
3 |
0 |
0 |
0.000 |
30 |
|
A |
22 |
8 |
11112 |
◊ |
E |
x-1,y,z |
1_455 |
23 |
6 |
10996 |
208.0 |
-0.3 |
0.512 |
3 |
0 |
0 |
0.000 |
Average: |
209.0 |
-0.3 |
0.523 |
3 |
0 |
0 |
0.000 |
8 |
31 |
|
G |
26 |
9 |
10915 |
◊ |
B |
x,y,z |
1_555 |
24 |
8 |
11164 |
187.1 |
1.9 |
0.657 |
2 |
0 |
0 |
0.000 |
32 |
|
A |
23 |
8 |
11112 |
◊ |
F |
x,y-1,z |
1_545 |
21 |
7 |
10951 |
182.2 |
1.8 |
0.673 |
1 |
0 |
0 |
0.000 |
Average: |
184.7 |
1.8 |
0.665 |
2 |
0 |
0 |
0.000 |
9 |
33 |
|
B |
16 |
6 |
11164 |
◊ |
H |
x,y-1,z-1 |
1_544 |
16 |
7 |
10915 |
137.2 |
0.2 |
0.502 |
0 |
0 |
0 |
0.000 |
34 |
|
F |
14 |
4 |
10951 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
11277 |
130.9 |
0.2 |
0.465 |
0 |
0 |
0 |
0.000 |
Average: |
134.1 |
0.2 |
0.484 |
0 |
0 |
0 |
0.000 |
10 |
35 |
|
[SO4]B:301 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
11164 |
107.8 |
-17.6 |
0.597 |
6 |
0 |
0 |
0.100 |
11 |
36 |
|
[SO4]E:301 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
20 |
9 |
10996 |
107.6 |
-17.4 |
0.602 |
7 |
0 |
0 |
0.100 |
12 |
37 |
|
[SO4]C:301 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
11277 |
107.3 |
-18.0 |
0.599 |
5 |
0 |
0 |
0.100 |
13 |
38 |
|
[SO4]G:301 |
5 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
21 |
9 |
10915 |
106.9 |
-18.2 |
0.614 |
7 |
0 |
0 |
0.100 |
14 |
39 |
|
[SO4]A:301 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
11112 |
105.8 |
-17.5 |
0.597 |
5 |
0 |
0 |
0.100 |
15 |
40 |
|
[SO4]F:301 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
18 |
9 |
10951 |
105.4 |
-17.5 |
0.600 |
5 |
0 |
0 |
0.100 |
16 |
41 |
|
[SO4]D:301 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
11185 |
103.8 |
-17.1 |
0.621 |
5 |
0 |
0 |
0.100 |
17 |
42 |
|
[SO4]H:301 |
5 |
1 |
187 |
f |
H |
x,y,z |
1_555 |
18 |
9 |
10915 |
103.5 |
-17.6 |
0.601 |
5 |
0 |
0 |
0.100 |
18 |
43 |
|
F |
12 |
6 |
10951 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
11112 |
96.4 |
-0.6 |
0.411 |
0 |
0 |
0 |
0.000 |
44 |
|
B |
11 |
6 |
11164 |
◊ |
G |
x,y-1,z |
1_545 |
11 |
5 |
10915 |
91.8 |
-0.5 |
0.433 |
0 |
0 |
0 |
0.000 |
Average: |
94.1 |
-0.6 |
0.422 |
0 |
0 |
0 |
0.000 |
19 |
45 |
|
D |
8 |
3 |
11185 |
◊ |
F |
x,y-1,z |
1_545 |
6 |
2 |
10951 |
50.1 |
0.0 |
0.531 |
0 |
0 |
0 |
0.000 |
46 |
|
B |
5 |
1 |
11164 |
◊ |
E |
x-1,y,z |
1_455 |
7 |
2 |
10996 |
44.6 |
-0.0 |
0.501 |
0 |
0 |
0 |
0.000 |
Average: |
47.3 |
0.0 |
0.516 |
0 |
0 |
0 |
0.000 |
20 |
47 |
|
H |
7 |
4 |
10915 |
◊ |
C |
x-1,y,z |
1_455 |
13 |
5 |
11277 |
45.5 |
1.0 |
0.731 |
0 |
0 |
0 |
0.000 |
48 |
|
H |
11 |
4 |
10915 |
◊ |
C |
x-1,y+1,z |
1_465 |
4 |
2 |
11277 |
35.7 |
0.8 |
0.715 |
0 |
0 |
0 |
0.000 |
Average: |
40.6 |
0.9 |
0.723 |
0 |
0 |
0 |
0.000 |
21 |
49 |
|
H |
4 |
2 |
10915 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11112 |
19.0 |
0.5 |
0.767 |
0 |
0 |
0 |
0.000 |
50 |
|
C |
4 |
2 |
11277 |
◊ |
G |
x,y-1,z+1 |
1_546 |
2 |
1 |
10915 |
15.9 |
0.5 |
0.778 |
0 |
0 |
0 |
0.000 |
Average: |
17.5 |
0.5 |
0.772 |
0 |
0 |
0 |
0.000 |
22 |
51 |
|
E |
2 |
1 |
10996 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
11277 |
9.7 |
-0.0 |
0.576 |
0 |
0 |
0 |
0.000 |
52 |
|
H |
1 |
1 |
10915 |
◊ |
D |
x-1,y+1,z+1 |
1_466 |
1 |
1 |
11185 |
6.4 |
-0.0 |
0.472 |
0 |
0 |
0 |
0.000 |
Average: |
8.1 |
-0.0 |
0.524 |
0 |
0 |
0 |
0.000 |
|