| ## |
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 |
|
D |
51 |
16 |
9418 |
◊ |
A |
x,y,z |
1_555 |
58 |
16 |
9516 |
459.1 |
-5.2 |
0.246 |
3 |
0 |
0 |
0.000 |
2 |
|
C |
57 |
15 |
9530 |
◊ |
B |
x,y,z |
1_555 |
53 |
17 |
9557 |
457.0 |
-4.9 |
0.264 |
3 |
0 |
0 |
0.000 |
| Average: |
458.0 |
-5.0 |
0.255 |
3 |
0 |
0 |
0.000 |
| 2 |
3 |
|
B |
47 |
13 |
9557 |
◊ |
A |
x,y,z |
1_555 |
42 |
12 |
9516 |
426.3 |
0.7 |
0.693 |
6 |
6 |
0 |
0.000 |
4 |
|
D |
47 |
13 |
9418 |
◊ |
C |
x,y,z |
1_555 |
44 |
12 |
9530 |
424.0 |
0.4 |
0.680 |
5 |
6 |
0 |
0.000 |
| Average: |
425.1 |
0.5 |
0.686 |
6 |
6 |
0 |
0.000 |
| 3 |
5 |
|
D |
41 |
12 |
9418 |
◊ |
B |
x,y,z |
1_555 |
44 |
13 |
9557 |
414.4 |
-0.2 |
0.634 |
10 |
0 |
0 |
0.000 |
| 4 |
6 |
|
A |
49 |
15 |
9516 |
◊ |
D |
-x+2,y-1/2,-z+2 |
2_747 |
44 |
11 |
9418 |
359.8 |
3.1 |
0.808 |
5 |
4 |
0 |
0.000 |
| 5 |
7 |
|
B |
36 |
12 |
9557 |
◊ |
C |
-x+2,y-1/2,-z+3 |
2_748 |
35 |
9 |
9530 |
333.9 |
-0.1 |
0.636 |
5 |
3 |
0 |
0.000 |
8 |
|
A |
35 |
9 |
9516 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
37 |
11 |
9418 |
326.7 |
-0.3 |
0.618 |
5 |
3 |
0 |
0.000 |
| Average: |
330.3 |
-0.2 |
0.627 |
5 |
3 |
0 |
0.000 |
| 6 |
9 |
|
[AHL]B:301 |
13 |
1 |
365 |
f |
B |
x,y,z |
1_555 |
34 |
14 |
9557 |
220.5 |
-1.0 |
0.231 |
4 |
0 |
0 |
0.007 |
| 7 |
10 |
|
[CIT]B:303 |
9 |
1 |
315 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
9557 |
137.7 |
2.1 |
0.621 |
2 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[ACT]D:301 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
23 |
12 |
9418 |
113.3 |
-0.7 |
0.526 |
2 |
0 |
0 |
0.004 |
| 9 |
12 |
|
[ACT]A:301 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
9516 |
97.8 |
-0.8 |
0.523 |
2 |
0 |
0 |
0.004 |
| 10 |
13 |
|
[ACT]C:301 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
19 |
10 |
9530 |
97.3 |
-0.8 |
0.515 |
3 |
0 |
0 |
0.005 |
| 11 |
14 |
|
[CIT]B:303 |
8 |
1 |
315 |
f |
C |
x,y,z |
1_555 |
13 |
3 |
9530 |
65.2 |
-1.7 |
0.264 |
0 |
0 |
0 |
0.004 |
| 12 |
15 |
|
D |
7 |
3 |
9418 |
x |
D |
x-1,y,z |
1_455 |
6 |
2 |
9418 |
49.2 |
1.2 |
0.833 |
3 |
2 |
0 |
0.000 |
| 13 |
16 |
|
B |
6 |
2 |
9557 |
x |
B |
x-1,y,z |
1_455 |
5 |
1 |
9557 |
47.8 |
1.3 |
0.813 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
9516 |
40.6 |
-26.9 |
0.000 |
0 |
0 |
0 |
0.067 |
18 |
|
[ZN]D:302 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
9418 |
40.5 |
-27.4 |
0.000 |
0 |
0 |
0 |
0.067 |
19 |
|
[ZN]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
9530 |
39.6 |
-27.2 |
0.000 |
0 |
0 |
0 |
0.067 |
20 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
9557 |
38.7 |
-26.8 |
0.000 |
0 |
0 |
0 |
0.067 |
| Average: |
39.9 |
-27.1 |
0.000 |
0 |
0 |
0 |
0.067 |
| 15 |
21 |
|
C |
2 |
1 |
9530 |
x |
C |
x-1,y,z |
1_455 |
3 |
1 |
9530 |
31.9 |
1.0 |
0.896 |
1 |
2 |
0 |
0.000 |
| 16 |
22 |
|
[AHL]B:301 |
4 |
1 |
365 |
f |
[ZN]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.5 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.031 |
| 17 |
23 |
|
[ACT]C:301 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
9557 |
31.3 |
-0.4 |
0.642 |
0 |
0 |
0 |
0.000 |
| 18 |
24 |
|
[ZN]D:302 |
1 |
1 |
98 |
f |
[ACT]D:301 |
x,y,z |
1_555 |
3 |
1 |
183 |
28.9 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.030 |
25 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
[ACT]A:301 |
x,y,z |
1_555 |
3 |
1 |
184 |
28.0 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.030 |
26 |
|
[ZN]C:302 |
1 |
1 |
98 |
f |
[ACT]C:301 |
x,y,z |
1_555 |
3 |
1 |
183 |
27.4 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.030 |
| Average: |
28.1 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.030 |
| 19 |
27 |
|
[ACT]A:301 |
3 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
9418 |
28.8 |
-0.5 |
0.620 |
0 |
0 |
0 |
0.000 |
| 20 |
28 |
|
A |
1 |
1 |
9516 |
◊ |
C |
-x+2,y-1/2,-z+2 |
2_747 |
2 |
2 |
9530 |
15.4 |
0.4 |
0.827 |
0 |
0 |
0 |
0.000 |
|