| ## |
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 |
|
[SUE]A:1201 |
46 |
1 |
988 |
f |
A |
x,y,z |
1_555 |
66 |
22 |
8443 |
545.0 |
-10.2 |
0.640 |
8 |
0 |
0 |
0.746 |
2 |
|
[SUE]C:1201 |
44 |
1 |
982 |
f |
C |
x,y,z |
1_555 |
68 |
23 |
8655 |
520.2 |
-10.2 |
0.639 |
7 |
0 |
0 |
0.746 |
3 |
|
[SUE]D:1201 |
46 |
1 |
978 |
f |
D |
x,y,z |
1_555 |
64 |
23 |
8295 |
518.6 |
-10.7 |
0.546 |
7 |
0 |
0 |
0.746 |
4 |
|
[SUE]B:1201 |
44 |
1 |
1003 |
f |
B |
x,y,z |
1_555 |
61 |
22 |
8513 |
515.3 |
-10.9 |
0.470 |
10 |
0 |
0 |
0.746 |
| Average: |
524.8 |
-10.5 |
0.574 |
8 |
0 |
0 |
0.746 |
| 2 |
5 |
|
C |
45 |
13 |
8655 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
56 |
18 |
8295 |
469.4 |
-5.2 |
0.366 |
5 |
0 |
0 |
0.000 |
| 3 |
6 |
|
A |
53 |
17 |
8443 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
41 |
12 |
8513 |
441.8 |
-3.1 |
0.552 |
6 |
2 |
0 |
0.039 |
| 4 |
7 |
|
B |
56 |
16 |
8513 |
◊ |
A |
x,y,z |
1_555 |
50 |
18 |
8443 |
436.6 |
-2.5 |
0.628 |
4 |
0 |
0 |
0.000 |
8 |
|
B |
40 |
13 |
8513 |
◊ |
A |
x-1,y,z |
1_455 |
50 |
17 |
8443 |
381.3 |
-5.3 |
0.348 |
1 |
0 |
0 |
0.000 |
| Average: |
408.9 |
-3.9 |
0.488 |
3 |
0 |
0 |
0.000 |
| 5 |
9 |
|
C |
49 |
13 |
8655 |
◊ |
A |
x,y,z |
1_555 |
48 |
13 |
8443 |
404.2 |
-3.9 |
0.535 |
4 |
0 |
0 |
0.000 |
10 |
|
D |
40 |
13 |
8295 |
◊ |
B |
x,y,z-1 |
1_554 |
42 |
13 |
8513 |
339.2 |
-4.5 |
0.395 |
2 |
0 |
0 |
0.000 |
| Average: |
371.7 |
-4.2 |
0.465 |
3 |
0 |
0 |
0.000 |
| 6 |
11 |
|
C |
28 |
8 |
8655 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
29 |
12 |
8513 |
272.9 |
-3.7 |
0.352 |
3 |
0 |
0 |
0.032 |
| 7 |
12 |
|
D |
23 |
13 |
8295 |
◊ |
C |
x,y,z |
1_555 |
23 |
12 |
8655 |
262.0 |
-2.3 |
0.475 |
6 |
0 |
0 |
0.109 |
| 8 |
13 |
|
[SUE]B:1201 |
26 |
1 |
1003 |
◊ |
C |
x,y,z |
1_555 |
28 |
7 |
8655 |
242.2 |
-4.4 |
0.679 |
0 |
0 |
0 |
0.000 |
14 |
|
D |
29 |
7 |
8295 |
◊ |
[SUE]A:1201 |
x-1,y,z-1 |
1_454 |
26 |
1 |
988 |
225.7 |
-4.0 |
0.704 |
0 |
0 |
0 |
0.000 |
| Average: |
233.9 |
-4.2 |
0.692 |
0 |
0 |
0 |
0.000 |
| 9 |
15 |
|
C |
25 |
11 |
8655 |
◊ |
A |
x-1,y,z |
1_455 |
25 |
9 |
8443 |
230.7 |
-1.9 |
0.545 |
2 |
2 |
0 |
0.029 |
| 10 |
16 |
|
[SUE]D:1201 |
24 |
1 |
978 |
◊ |
[SUE]C:1201 |
x,y,z |
1_555 |
29 |
1 |
982 |
208.7 |
-5.1 |
0.971 |
0 |
0 |
0 |
0.113 |
| 11 |
17 |
|
D |
19 |
7 |
8295 |
◊ |
B |
x-1,y,z-1 |
1_454 |
28 |
10 |
8513 |
208.0 |
-0.6 |
0.687 |
2 |
0 |
0 |
0.000 |
| 12 |
18 |
|
C |
21 |
9 |
8655 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
23 |
9 |
8513 |
176.0 |
-0.4 |
0.708 |
3 |
0 |
0 |
0.000 |
| 13 |
19 |
|
C |
16 |
9 |
8655 |
◊ |
B |
x,y,z |
1_555 |
20 |
8 |
8513 |
154.9 |
-1.5 |
0.494 |
1 |
0 |
0 |
0.000 |
20 |
|
D |
14 |
7 |
8295 |
◊ |
A |
x-1,y,z-1 |
1_454 |
16 |
7 |
8443 |
134.1 |
-1.2 |
0.490 |
0 |
0 |
0 |
0.000 |
| Average: |
144.5 |
-1.4 |
0.492 |
1 |
0 |
0 |
0.000 |
| 14 |
21 |
|
A |
17 |
5 |
8443 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
19 |
7 |
8295 |
146.6 |
-1.4 |
0.535 |
2 |
0 |
0 |
0.000 |
| 15 |
22 |
|
[SO4]B:1202 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
8513 |
108.0 |
-14.6 |
0.879 |
4 |
0 |
0 |
0.106 |
| 16 |
23 |
|
[SUE]C:1201 |
5 |
1 |
982 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
8295 |
62.5 |
-1.5 |
0.494 |
0 |
0 |
0 |
0.058 |
24 |
|
[SUE]D:1201 |
5 |
1 |
978 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
8655 |
57.8 |
-1.1 |
0.601 |
0 |
0 |
0 |
0.058 |
| Average: |
60.1 |
-1.3 |
0.547 |
0 |
0 |
0 |
0.058 |
| 17 |
25 |
|
[SUE]A:1201 |
7 |
1 |
988 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
8513 |
62.3 |
-0.3 |
0.837 |
0 |
0 |
0 |
0.000 |
26 |
|
[SUE]B:1201 |
7 |
1 |
1003 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
4 |
8443 |
58.2 |
-0.5 |
0.788 |
0 |
0 |
0 |
0.000 |
| Average: |
60.3 |
-0.4 |
0.812 |
0 |
0 |
0 |
0.000 |
| 18 |
27 |
|
[ZN]A:1202 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
8443 |
42.2 |
-33.5 |
0.000 |
0 |
0 |
0 |
0.316 |
| 19 |
28 |
|
[ZN]C:1202 |
1 |
1 |
98 |
f |
B |
-x-1,y-1/2,-z |
2_445 |
2 |
2 |
8513 |
15.7 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.042 |
| 20 |
29 |
|
C |
1 |
1 |
8655 |
◊ |
[ZN]A:1202 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
14.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.254 |
30 |
|
D |
2 |
1 |
8295 |
◊ |
[ZN]B:1203 |
x-1,y,z-1 |
1_454 |
1 |
1 |
98 |
11.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.254 |
| Average: |
12.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.254 |
| 21 |
31 |
|
C |
1 |
1 |
8655 |
f |
[ZN]D:1202 |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
98 |
12.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.117 |
|