| ## |
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 |
|
C |
173 |
42 |
19140 |
◊ |
C |
-x,y,-z |
2_555 |
173 |
42 |
19140 |
1457.4 |
-10.8 |
0.229 |
8 |
8 |
0 |
0.037 |
2 |
|
B |
168 |
39 |
19155 |
◊ |
A |
-x,y,-z |
2_555 |
173 |
38 |
18998 |
1378.5 |
-11.0 |
0.207 |
8 |
7 |
0 |
0.037 |
| Average: |
1418.0 |
-10.9 |
0.218 |
8 |
8 |
0 |
0.037 |
| 2 |
3 |
|
C |
87 |
28 |
19140 |
◊ |
B |
x,y,z |
1_555 |
85 |
25 |
19155 |
831.3 |
-7.5 |
0.183 |
8 |
0 |
0 |
0.036 |
4 |
|
B |
71 |
23 |
19155 |
◊ |
A |
x,y,z |
1_555 |
93 |
27 |
18998 |
758.7 |
-5.7 |
0.242 |
10 |
0 |
0 |
0.036 |
5 |
|
C |
79 |
24 |
19140 |
◊ |
A |
x,y,z |
1_555 |
77 |
25 |
18998 |
704.6 |
-6.9 |
0.153 |
4 |
0 |
0 |
0.036 |
| Average: |
764.9 |
-6.7 |
0.193 |
7 |
0 |
0 |
0.036 |
| 3 |
6 |
|
A |
59 |
16 |
18998 |
◊ |
A |
-x,y,-z-1 |
2_554 |
59 |
16 |
18998 |
560.7 |
1.2 |
0.739 |
4 |
0 |
0 |
0.000 |
| 4 |
7 |
|
B |
44 |
15 |
19155 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
40 |
15 |
19140 |
344.2 |
3.8 |
0.871 |
1 |
0 |
0 |
0.000 |
| 5 |
8 |
|
C |
26 |
8 |
19140 |
◊ |
A |
-x,y,-z-1 |
2_554 |
32 |
10 |
18998 |
236.2 |
0.4 |
0.649 |
2 |
0 |
0 |
0.000 |
| 6 |
9 |
|
B |
23 |
7 |
19155 |
◊ |
A |
-x,y,-z-1 |
2_554 |
28 |
11 |
18998 |
198.5 |
0.8 |
0.688 |
2 |
0 |
0 |
0.000 |
| 7 |
10 |
|
B |
25 |
9 |
19155 |
◊ |
B |
-x,y,-z |
2_555 |
25 |
9 |
19155 |
196.5 |
2.1 |
0.804 |
2 |
4 |
0 |
0.000 |
11 |
|
C |
20 |
7 |
19140 |
◊ |
A |
-x,y,-z |
2_555 |
18 |
7 |
18998 |
166.1 |
2.0 |
0.821 |
1 |
2 |
0 |
0.000 |
| Average: |
181.3 |
2.0 |
0.813 |
2 |
3 |
0 |
0.000 |
| 8 |
12 |
|
C |
17 |
6 |
19140 |
◊ |
B |
-x,y,-z |
2_555 |
15 |
7 |
19155 |
194.2 |
-1.8 |
0.236 |
0 |
0 |
0 |
0.000 |
13 |
|
A |
26 |
9 |
18998 |
◊ |
A |
-x,y,-z |
2_555 |
25 |
8 |
18998 |
183.8 |
-3.3 |
0.191 |
0 |
0 |
0 |
0.000 |
| Average: |
189.0 |
-2.6 |
0.214 |
0 |
0 |
0 |
0.000 |
| 9 |
14 |
|
[ZN]A:506 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
18998 |
62.0 |
-29.6 |
0.000 |
0 |
0 |
0 |
0.087 |
15 |
|
[ZN]B:504 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
19155 |
39.0 |
-17.8 |
0.000 |
0 |
0 |
0 |
0.087 |
| Average: |
50.5 |
-23.7 |
0.000 |
0 |
0 |
0 |
0.087 |
| 10 |
16 |
|
[ZN]B:508 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
19155 |
60.8 |
-38.3 |
0.000 |
0 |
0 |
0 |
0.071 |
| 11 |
17 |
|
[ZN]A:507 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
18998 |
50.5 |
-27.3 |
0.000 |
0 |
0 |
0 |
0.134 |
18 |
|
[ZN]C:505 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
19140 |
49.7 |
-28.0 |
0.000 |
0 |
0 |
0 |
0.134 |
| Average: |
50.1 |
-27.6 |
0.000 |
0 |
0 |
0 |
0.134 |
| 12 |
19 |
|
[ZN]A:508 |
1 |
1 |
98 |
f |
A |
-x,y,-z-1 |
2_554 |
10 |
4 |
18998 |
47.4 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.048 |
| 13 |
20 |
|
[ZN]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
19140 |
46.7 |
-24.6 |
0.000 |
0 |
0 |
0 |
0.118 |
21 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
18998 |
44.4 |
-23.4 |
0.000 |
0 |
0 |
0 |
0.118 |
22 |
|
[ZN]B:511 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
19155 |
42.2 |
-21.4 |
0.000 |
0 |
0 |
0 |
0.118 |
| Average: |
44.4 |
-23.1 |
0.000 |
0 |
0 |
0 |
0.118 |
| 14 |
23 |
|
[ZN]C:503 |
1 |
1 |
98 |
f |
C |
-x,y,-z |
2_555 |
10 |
6 |
19140 |
45.4 |
-24.2 |
0.000 |
0 |
0 |
0 |
0.116 |
24 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
18998 |
42.7 |
-21.9 |
0.000 |
0 |
0 |
0 |
0.116 |
25 |
|
[ZN]B:503 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
19155 |
41.0 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.116 |
| Average: |
43.1 |
-22.2 |
0.000 |
0 |
0 |
0 |
0.116 |
| 15 |
26 |
|
[CA]A:509 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
18998 |
43.0 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.017 |
| 16 |
27 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
C |
-x+1/2,y-1/2,-z |
4_545 |
8 |
4 |
19140 |
42.6 |
-21.1 |
0.000 |
0 |
0 |
0 |
0.101 |
28 |
|
B |
8 |
4 |
19155 |
f |
[ZN]C:507 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
98 |
39.6 |
-22.1 |
0.000 |
0 |
0 |
0 |
0.101 |
| Average: |
41.1 |
-21.6 |
0.000 |
0 |
0 |
0 |
0.101 |
| 17 |
29 |
|
[ZN]C:504 |
1 |
1 |
98 |
f |
A |
-x,y,-z |
2_555 |
6 |
3 |
18998 |
41.5 |
-21.7 |
0.000 |
0 |
0 |
0 |
0.101 |
30 |
|
[ZN]B:502 |
1 |
1 |
98 |
f |
B |
-x,y,-z |
2_555 |
6 |
3 |
19155 |
39.7 |
-20.7 |
0.000 |
0 |
0 |
0 |
0.101 |
31 |
|
[ZN]C:512 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
19140 |
37.8 |
-21.1 |
0.000 |
0 |
0 |
0 |
0.101 |
| Average: |
39.6 |
-21.2 |
0.000 |
0 |
0 |
0 |
0.101 |
| 18 |
32 |
|
[ZN]B:506 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
19155 |
41.0 |
-19.2 |
0.000 |
0 |
0 |
0 |
0.089 |
33 |
|
[ZN]C:506 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
19140 |
38.6 |
-18.6 |
0.000 |
0 |
0 |
0 |
0.089 |
| Average: |
39.8 |
-18.9 |
0.000 |
0 |
0 |
0 |
0.089 |
| 19 |
34 |
|
[ZN]B:513 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
19155 |
40.0 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.058 |
35 |
|
[ZN]A:504 |
1 |
1 |
98 |
◊ |
C |
-x,y,-z-1 |
2_554 |
6 |
3 |
19140 |
33.9 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.058 |
36 |
|
[ZN]A:508 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
18998 |
25.5 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.058 |
37 |
|
[ZN]A:503 |
1 |
1 |
98 |
◊ |
C |
-x,y,-z-1 |
2_554 |
1 |
1 |
19140 |
2.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.058 |
| Average: |
25.4 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.058 |
| 20 |
38 |
|
[ZN]B:509 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
8 |
3 |
19155 |
39.1 |
-23.3 |
0.000 |
0 |
0 |
0 |
0.043 |
| 21 |
39 |
|
[ZN]B:514 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
19155 |
38.0 |
-19.6 |
0.000 |
0 |
0 |
0 |
0.036 |
| 22 |
40 |
|
[ZN]B:509 |
1 |
1 |
98 |
◊ |
A |
-x,y,-z |
2_555 |
9 |
5 |
18998 |
37.9 |
-15.8 |
0.000 |
0 |
0 |
0 |
0.029 |
| 23 |
41 |
|
[ZN]C:503 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
19140 |
37.2 |
-16.5 |
0.000 |
0 |
0 |
0 |
0.079 |
42 |
|
[ZN]B:503 |
1 |
1 |
98 |
◊ |
A |
-x,y,-z |
2_555 |
4 |
1 |
18998 |
36.7 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.079 |
43 |
|
[ZN]A:501 |
1 |
1 |
98 |
◊ |
B |
-x,y,-z |
2_555 |
3 |
1 |
19155 |
19.7 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.079 |
| Average: |
31.2 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.079 |
| 24 |
44 |
|
B |
8 |
5 |
19155 |
◊ |
[ZN]C:511 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
98 |
36.8 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.088 |
45 |
|
[ZN]C:510 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
19140 |
34.8 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.088 |
46 |
|
B |
5 |
2 |
19155 |
◊ |
[ZN]C:508 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
98 |
30.5 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.088 |
47 |
|
[ZN]C:508 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
19140 |
29.4 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.088 |
| Average: |
32.9 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.088 |
| 25 |
48 |
|
[ZN]A:503 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
18998 |
36.7 |
-17.2 |
0.000 |
0 |
0 |
0 |
0.032 |
| 26 |
49 |
|
[ZN]B:512 |
1 |
1 |
98 |
◊ |
A |
-x,y,-z-1 |
2_554 |
6 |
2 |
18998 |
35.8 |
-16.4 |
0.000 |
0 |
0 |
0 |
0.036 |
50 |
|
[ZN]B:510 |
1 |
1 |
98 |
◊ |
A |
-x,y,-z-1 |
2_554 |
6 |
4 |
18998 |
29.7 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.036 |
| Average: |
32.7 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.036 |
| 27 |
51 |
|
[ZN]C:513 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
19140 |
35.8 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.097 |
| 28 |
52 |
|
[ZN]B:501 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
19155 |
35.3 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.045 |
53 |
|
[ZN]C:507 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
19140 |
31.0 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.045 |
| Average: |
33.1 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.045 |
| 29 |
54 |
|
[ZN]A:504 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
18998 |
35.2 |
-16.1 |
0.000 |
0 |
0 |
0 |
0.030 |
| 30 |
55 |
|
[ZN]C:513 |
1 |
1 |
98 |
◊ |
C |
-x,y,-z |
2_555 |
8 |
5 |
19140 |
33.0 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.066 |
| 31 |
56 |
|
[ZN]B:513 |
1 |
1 |
98 |
◊ |
A |
-x,y,-z-1 |
2_554 |
8 |
5 |
18998 |
32.1 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.044 |
57 |
|
[ZN]B:514 |
1 |
1 |
98 |
◊ |
A |
-x,y,-z-1 |
2_554 |
5 |
3 |
18998 |
31.8 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.044 |
58 |
|
[ZN]B:505 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
19155 |
25.2 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.044 |
| Average: |
29.7 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.044 |
| 32 |
59 |
|
B |
6 |
3 |
19155 |
◊ |
[ZN]C:501 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
98 |
31.4 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.075 |
60 |
|
[ZN]C:501 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
19140 |
30.4 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.075 |
61 |
|
B |
6 |
3 |
19155 |
◊ |
[ZN]C:510 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
98 |
29.0 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.075 |
62 |
|
[ZN]C:511 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
19140 |
28.1 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.075 |
| Average: |
29.7 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.075 |
| 33 |
63 |
|
[ZN]B:512 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
19155 |
30.2 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.049 |
64 |
|
[ZN]B:510 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
19155 |
29.0 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.049 |
| Average: |
29.6 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.049 |
| 34 |
65 |
|
[ZN]C:512 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
19155 |
29.4 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.020 |
66 |
|
[ZN]B:502 |
1 |
1 |
98 |
◊ |
A |
-x,y,-z |
2_555 |
2 |
1 |
18998 |
10.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.020 |
| Average: |
19.9 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.020 |
| 35 |
67 |
|
[ZN]C:509 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
19140 |
29.0 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.062 |
| 36 |
68 |
|
[ZN]A:505 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
18998 |
27.1 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.022 |
| 37 |
69 |
|
[CA]A:509 |
1 |
1 |
85 |
f |
[ZN]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.9 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.022 |
| 38 |
70 |
|
[ZN]B:512 |
1 |
1 |
98 |
f |
[ZN]B:510 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.4 |
-17.1 |
0.000 |
0 |
0 |
0 |
0.031 |
| 39 |
71 |
|
[ZN]C:504 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
19140 |
19.0 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.003 |
72 |
|
[ZN]B:502 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
19155 |
18.4 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.003 |
73 |
|
[ZN]C:512 |
1 |
1 |
98 |
◊ |
A |
-x,y,-z |
2_555 |
2 |
1 |
18998 |
16.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.003 |
| Average: |
17.8 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.003 |
| 40 |
74 |
|
[ZN]A:504 |
1 |
1 |
98 |
f |
[ZN]A:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.4 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.027 |
| 41 |
75 |
|
[ZN]C:513 |
1 |
1 |
98 |
◊ |
B |
-x,y,-z |
2_555 |
3 |
1 |
19155 |
15.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 42 |
76 |
|
[ZN]B:514 |
1 |
1 |
98 |
◊ |
[ZN]B:513 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.4 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.015 |
| 43 |
77 |
|
[ZN]C:510 |
1 |
1 |
98 |
f |
[ZN]C:508 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.7 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.021 |
| 44 |
78 |
|
[ZN]C:511 |
1 |
1 |
98 |
f |
[ZN]C:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.9 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.020 |
| 45 |
79 |
|
[ZN]C:511 |
1 |
1 |
98 |
f |
[ZN]C:508 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.4 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.019 |
| 46 |
80 |
|
[ZN]C:510 |
1 |
1 |
98 |
f |
[ZN]C:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.7 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.018 |
| 47 |
81 |
|
[ZN]B:501 |
1 |
1 |
98 |
◊ |
[ZN]C:507 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
98 |
8.9 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.012 |
| 48 |
82 |
|
[ZN]C:504 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
19155 |
8.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.007 |
83 |
|
[ZN]B:502 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
18998 |
0.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.007 |
| Average: |
4.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.007 |
| 49 |
84 |
|
[ZN]C:511 |
1 |
1 |
98 |
f |
[ZN]C:510 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.8 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.011 |
| 50 |
85 |
|
[ZN]B:507 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
19155 |
7.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.006 |
| 51 |
86 |
|
[ZN]C:508 |
1 |
1 |
98 |
f |
[ZN]C:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.010 |
|