| ## |
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 |
|
B |
111 |
40 |
20406 |
◊ |
B |
-x-1,-y,z |
2_455 |
110 |
40 |
20406 |
1001.3 |
-2.9 |
0.598 |
6 |
6 |
0 |
0.017 |
| 2 |
2 |
|
B |
90 |
29 |
20406 |
◊ |
A |
x,y,z |
1_555 |
100 |
27 |
20498 |
850.5 |
-1.8 |
0.516 |
8 |
9 |
0 |
0.017 |
| 3 |
3 |
|
A |
98 |
26 |
20498 |
◊ |
A |
-x-1,-y,z |
2_455 |
98 |
26 |
20498 |
842.8 |
0.8 |
0.763 |
14 |
10 |
0 |
0.018 |
| 4 |
4 |
|
[MAL]B:482 |
23 |
1 |
457 |
f |
B |
x,y,z |
1_555 |
56 |
20 |
20406 |
331.2 |
2.0 |
0.527 |
5 |
0 |
0 |
0.015 |
5 |
|
[MAL]A:482 |
23 |
1 |
455 |
f |
A |
x,y,z |
1_555 |
57 |
19 |
20498 |
320.3 |
1.1 |
0.422 |
8 |
0 |
0 |
0.015 |
| Average: |
325.7 |
1.5 |
0.475 |
7 |
0 |
0 |
0.015 |
| 5 |
6 |
|
B |
39 |
16 |
20406 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
39 |
9 |
20406 |
287.1 |
3.0 |
0.885 |
2 |
2 |
0 |
0.000 |
| 6 |
7 |
|
A |
28 |
8 |
20498 |
x |
A |
-x-1/2,y-1/2,-z+1 |
3_446 |
29 |
9 |
20498 |
229.7 |
-1.0 |
0.504 |
2 |
0 |
0 |
0.000 |
| 7 |
8 |
|
A |
23 |
10 |
20498 |
x |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
18 |
7 |
20498 |
166.6 |
-0.7 |
0.487 |
1 |
1 |
0 |
0.000 |
| 8 |
9 |
|
B |
19 |
6 |
20406 |
◊ |
A |
-x-1,-y,z |
2_455 |
15 |
4 |
20498 |
143.2 |
-0.3 |
0.563 |
0 |
7 |
0 |
0.004 |
| 9 |
10 |
|
B |
9 |
5 |
20406 |
◊ |
B |
-x,-y,z |
2_555 |
9 |
5 |
20406 |
70.7 |
0.0 |
0.640 |
0 |
0 |
0 |
0.000 |
| 10 |
11 |
|
B |
6 |
2 |
20406 |
◊ |
B |
-x-1,-y-1,z |
2_445 |
6 |
2 |
20406 |
65.5 |
0.7 |
0.798 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[ZN]A:486 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
20498 |
53.4 |
-32.9 |
0.000 |
0 |
0 |
0 |
0.198 |
13 |
|
[ZN]B:491 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
20406 |
51.4 |
-30.4 |
0.000 |
0 |
0 |
0 |
0.198 |
| Average: |
52.4 |
-31.7 |
0.000 |
0 |
0 |
0 |
0.198 |
| 12 |
14 |
|
[ZN]A:484 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
20498 |
49.8 |
-28.8 |
0.000 |
0 |
0 |
0 |
0.173 |
| 13 |
15 |
|
[ZN]B:485 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
20406 |
49.3 |
-37.3 |
0.000 |
0 |
0 |
0 |
0.195 |
| 14 |
16 |
|
[CA]A:487 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
20498 |
42.5 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.058 |
17 |
|
[CA]B:492 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
20406 |
38.1 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.058 |
| Average: |
40.3 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.058 |
| 15 |
18 |
|
[ZN]B:483 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
20406 |
41.0 |
-21.8 |
0.000 |
0 |
0 |
0 |
0.114 |
| 16 |
19 |
|
[CA]A:488 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
20498 |
40.8 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.052 |
20 |
|
[CA]B:493 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
20406 |
40.8 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.052 |
| Average: |
40.8 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.052 |
| 17 |
21 |
|
[ZN]A:485 |
1 |
1 |
98 |
f |
A |
-x-1,-y,z |
2_455 |
7 |
3 |
20498 |
40.8 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.153 |
| 18 |
22 |
|
[ZN]B:486 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
20406 |
40.1 |
-19.7 |
0.000 |
0 |
0 |
0 |
0.103 |
| 19 |
23 |
|
[ZN]A:489 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
20498 |
39.9 |
-20.8 |
0.000 |
0 |
0 |
0 |
0.125 |
| 20 |
24 |
|
[ZN]B:484 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
20498 |
39.0 |
-17.9 |
0.000 |
0 |
0 |
0 |
0.045 |
| 21 |
25 |
|
[ZN]B:487 |
1 |
1 |
98 |
◊ |
A |
-x-1,-y,z |
2_455 |
6 |
2 |
20498 |
37.5 |
-21.4 |
0.000 |
0 |
0 |
0 |
0.129 |
| 22 |
26 |
|
[ZN]B:484 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
20406 |
37.3 |
-20.8 |
0.000 |
0 |
0 |
0 |
0.109 |
| 23 |
27 |
|
[ZN]A:489 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
20406 |
36.6 |
-18.1 |
0.000 |
0 |
0 |
0 |
0.045 |
| 24 |
28 |
|
[ZN]B:489 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
20406 |
36.3 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.135 |
| 25 |
29 |
|
[ZN]B:483 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
20498 |
36.2 |
-16.7 |
0.000 |
0 |
0 |
0 |
0.041 |
| 26 |
30 |
|
[ZN]B:487 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
20406 |
35.7 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.081 |
31 |
|
[ZN]B:488 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
20406 |
30.1 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.081 |
| Average: |
32.9 |
-15.0 |
0.000 |
0 |
0 |
0 |
0.081 |
| 27 |
32 |
|
[ZN]A:490 |
1 |
1 |
98 |
x |
A |
x,y,z |
1_555 |
2 |
1 |
20498 |
34.5 |
-17.0 |
0.000 |
0 |
0 |
0 |
0.090 |
| 28 |
33 |
|
[ZN]A:485 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
20498 |
31.9 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.073 |
| 29 |
34 |
|
[ZN]B:489 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
20498 |
30.9 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.032 |
| 30 |
35 |
|
[ZN]B:486 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
20498 |
29.4 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.033 |
| 31 |
36 |
|
[ZN]B:488 |
1 |
1 |
98 |
cf |
A |
-x-1,-y,z |
2_455 |
5 |
3 |
20498 |
27.7 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.083 |
| 32 |
37 |
|
[ZN]A:490 |
1 |
1 |
98 |
x |
B |
x,y,z |
1_555 |
7 |
3 |
20406 |
27.4 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.072 |
| 33 |
38 |
|
[ZN]B:488 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
20498 |
27.2 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.058 |
| 34 |
39 |
|
[CA]B:492 |
1 |
1 |
85 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
20406 |
24.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 35 |
40 |
|
[ZN]B:491 |
1 |
1 |
98 |
◊ |
B |
-x-1,-y-1,z |
2_445 |
1 |
1 |
20406 |
3.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 36 |
41 |
|
[ZN]B:488 |
1 |
1 |
98 |
◊ |
[ZN]B:487 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.013 |
| 37 |
42 |
|
[ZN]B:489 |
1 |
1 |
98 |
f |
[ZN]B:483 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
|