## |
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 |
179 |
48 |
19130 |
◊ |
A |
-x,y,-z+1 |
2_556 |
180 |
42 |
19090 |
1506.0 |
-9.5 |
0.259 |
3 |
3 |
0 |
0.027 |
2 |
|
C |
144 |
42 |
19855 |
◊ |
C |
-x,y,-z+1 |
2_556 |
142 |
42 |
19855 |
1151.2 |
-8.8 |
0.237 |
4 |
4 |
0 |
0.027 |
Average: |
1328.6 |
-9.2 |
0.248 |
4 |
4 |
0 |
0.027 |
2 |
3 |
|
C |
112 |
30 |
19855 |
◊ |
A |
x,y,z |
1_555 |
97 |
32 |
19090 |
919.5 |
-6.5 |
0.259 |
9 |
0 |
0 |
0.047 |
4 |
|
B |
74 |
25 |
19130 |
◊ |
A |
x,y,z |
1_555 |
87 |
24 |
19090 |
740.5 |
-5.1 |
0.264 |
5 |
0 |
0 |
0.047 |
5 |
|
C |
71 |
22 |
19855 |
◊ |
B |
x,y,z |
1_555 |
78 |
23 |
19130 |
721.5 |
-8.3 |
0.102 |
7 |
0 |
0 |
0.047 |
Average: |
793.8 |
-6.6 |
0.208 |
7 |
0 |
0 |
0.047 |
3 |
6 |
|
A |
61 |
17 |
19090 |
◊ |
A |
-x,y,-z |
2_555 |
62 |
17 |
19090 |
564.7 |
0.6 |
0.693 |
4 |
0 |
0 |
0.000 |
4 |
7 |
|
B |
31 |
12 |
19130 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
34 |
11 |
19855 |
264.7 |
2.6 |
0.845 |
0 |
0 |
0 |
0.000 |
5 |
8 |
|
A |
25 |
9 |
19090 |
◊ |
A |
-x,y,-z+1 |
2_556 |
25 |
9 |
19090 |
216.1 |
-2.6 |
0.247 |
0 |
0 |
0 |
0.005 |
9 |
|
C |
14 |
6 |
19855 |
◊ |
B |
-x,y,-z+1 |
2_556 |
12 |
5 |
19130 |
125.5 |
-2.1 |
0.177 |
0 |
0 |
0 |
0.005 |
Average: |
170.8 |
-2.3 |
0.212 |
0 |
0 |
0 |
0.005 |
6 |
10 |
|
B |
22 |
8 |
19130 |
◊ |
A |
-x,y,-z |
2_555 |
27 |
11 |
19090 |
215.9 |
2.3 |
0.788 |
2 |
0 |
0 |
0.000 |
7 |
11 |
|
C |
21 |
5 |
19855 |
◊ |
A |
-x,y,-z |
2_555 |
27 |
8 |
19090 |
215.8 |
0.3 |
0.645 |
2 |
2 |
0 |
0.000 |
8 |
12 |
|
B |
19 |
8 |
19130 |
◊ |
B |
-x,y,-z+1 |
2_556 |
19 |
8 |
19130 |
172.0 |
1.9 |
0.806 |
2 |
2 |
0 |
0.000 |
13 |
|
C |
15 |
6 |
19855 |
◊ |
A |
-x,y,-z+1 |
2_556 |
12 |
5 |
19090 |
89.7 |
0.5 |
0.649 |
0 |
0 |
0 |
0.000 |
Average: |
130.8 |
1.2 |
0.728 |
1 |
1 |
0 |
0.000 |
9 |
14 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
19090 |
50.4 |
-25.1 |
0.000 |
0 |
0 |
0 |
0.074 |
10 |
15 |
|
[ZN]A:503 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
19090 |
50.2 |
-27.2 |
0.000 |
0 |
0 |
0 |
0.081 |
16 |
|
[ZN]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
19855 |
43.0 |
-23.0 |
0.000 |
0 |
0 |
0 |
0.081 |
Average: |
46.6 |
-25.1 |
0.000 |
0 |
0 |
0 |
0.081 |
11 |
17 |
|
[ZN]C:510 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
19855 |
48.4 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.150 |
18 |
|
[ZN]A:504 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
19090 |
47.5 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.150 |
19 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
19130 |
47.4 |
-25.2 |
0.000 |
0 |
0 |
0 |
0.150 |
Average: |
47.8 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.150 |
12 |
20 |
|
[ZN]C:512 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
19855 |
47.1 |
-28.1 |
0.000 |
0 |
0 |
0 |
0.059 |
13 |
21 |
|
[ZN]C:505 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
19855 |
43.4 |
-23.2 |
0.000 |
0 |
0 |
0 |
0.092 |
22 |
|
[ZN]B:503 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
19130 |
40.4 |
-20.9 |
0.000 |
0 |
0 |
0 |
0.092 |
Average: |
41.9 |
-22.0 |
0.000 |
0 |
0 |
0 |
0.092 |
14 |
23 |
|
[ZN]B:506 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
19130 |
42.9 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.069 |
15 |
24 |
|
[ZN]B:509 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
19130 |
42.9 |
-20.8 |
0.000 |
0 |
0 |
0 |
0.084 |
25 |
|
[ZN]C:504 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
19855 |
40.5 |
-19.6 |
0.000 |
0 |
0 |
0 |
0.084 |
Average: |
41.7 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.084 |
16 |
26 |
|
[ZN]C:513 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
19855 |
41.3 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.033 |
27 |
|
[ZN]C:511 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
19130 |
2.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.033 |
Average: |
22.0 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.033 |
17 |
28 |
|
B |
10 |
4 |
19130 |
◊ |
[ZN]C:508 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
98 |
39.7 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.108 |
29 |
|
[ZN]C:508 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
19855 |
37.2 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.108 |
30 |
|
[ZN]B:507 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
19130 |
31.2 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.108 |
31 |
|
[ZN]B:508 |
1 |
1 |
98 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
2 |
19855 |
28.7 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.108 |
Average: |
34.2 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.108 |
18 |
32 |
|
[ZN]C:511 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
19855 |
39.7 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.042 |
19 |
33 |
|
[ZN]C:501 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
19855 |
39.2 |
-17.9 |
0.000 |
0 |
0 |
0 |
0.038 |
20 |
34 |
|
[ZN]B:508 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
19130 |
37.9 |
-20.7 |
0.000 |
0 |
0 |
0 |
0.085 |
35 |
|
[ZN]B:507 |
1 |
1 |
98 |
f |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
2 |
19855 |
37.2 |
-19.8 |
0.000 |
0 |
0 |
0 |
0.085 |
Average: |
37.6 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.085 |
21 |
36 |
|
[ZN]C:513 |
1 |
1 |
98 |
f |
C |
-x,y,-z+1 |
2_556 |
6 |
3 |
19855 |
37.4 |
-17.6 |
0.000 |
0 |
0 |
0 |
0.037 |
22 |
37 |
|
B |
8 |
5 |
19130 |
◊ |
[ZN]C:507 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
98 |
37.3 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.081 |
38 |
|
[ZN]C:506 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
19855 |
32.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.081 |
39 |
|
[ZN]B:504 |
1 |
1 |
98 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
2 |
19855 |
31.5 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.081 |
40 |
|
[ZN]B:504 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
19130 |
29.2 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.081 |
Average: |
32.6 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.081 |
23 |
41 |
|
[ZN]B:503 |
1 |
1 |
98 |
◊ |
A |
-x,y,-z+1 |
2_556 |
4 |
1 |
19090 |
37.1 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.030 |
24 |
42 |
|
[ZN]B:510 |
1 |
1 |
98 |
c |
A |
-x,y,-z |
2_555 |
7 |
3 |
19090 |
35.5 |
-15.8 |
0.000 |
0 |
0 |
0 |
0.083 |
43 |
|
[ZN]B:505 |
1 |
1 |
98 |
◊ |
A |
-x,y,-z |
2_555 |
6 |
4 |
19090 |
28.6 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.083 |
Average: |
32.0 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.083 |
25 |
44 |
|
[ZN]A:505 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
19090 |
34.5 |
-15.6 |
0.000 |
0 |
0 |
0 |
0.046 |
26 |
45 |
|
[ZN]B:506 |
1 |
1 |
98 |
cf |
A |
-x,y,-z |
2_555 |
5 |
3 |
19090 |
34.3 |
-14.8 |
0.000 |
0 |
0 |
0 |
0.081 |
46 |
|
[ZN]B:511 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
19130 |
28.9 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.081 |
Average: |
31.6 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.081 |
27 |
47 |
|
[ZN]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
19130 |
34.0 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.042 |
28 |
48 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
C |
-x,y,-z |
2_555 |
7 |
3 |
19855 |
33.1 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.031 |
29 |
49 |
|
[ZN]B:505 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
19130 |
32.2 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.082 |
50 |
|
[ZN]B:510 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
19130 |
31.8 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.082 |
Average: |
32.0 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.082 |
30 |
51 |
|
[ZN]C:509 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
19855 |
32.2 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.072 |
52 |
|
B |
6 |
3 |
19130 |
◊ |
[ZN]C:509 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
98 |
30.9 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.072 |
53 |
|
B |
6 |
3 |
19130 |
◊ |
[ZN]C:506 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
98 |
29.4 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.072 |
54 |
|
[ZN]C:507 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
19855 |
27.9 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.072 |
Average: |
30.1 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.072 |
31 |
55 |
|
[ZN]C:503 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
19855 |
30.1 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.027 |
32 |
56 |
|
[ZN]B:512 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
19130 |
28.0 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.037 |
33 |
57 |
|
[ZN]A:501 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
19090 |
27.4 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.004 |
34 |
58 |
|
[ZN]C:512 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
19090 |
26.7 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.018 |
35 |
59 |
|
[ZN]B:510 |
1 |
1 |
98 |
f |
[ZN]B:505 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.6 |
-18.1 |
0.000 |
0 |
0 |
0 |
0.053 |
36 |
60 |
|
[ZN]B:513 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
19130 |
21.0 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.025 |
37 |
61 |
|
[ZN]B:508 |
1 |
1 |
98 |
◊ |
[ZN]C:508 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
98 |
15.0 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.025 |
38 |
62 |
|
[ZN]B:507 |
1 |
1 |
98 |
◊ |
[ZN]C:508 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
98 |
14.9 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.025 |
39 |
63 |
|
[ZN]B:504 |
1 |
1 |
98 |
f |
[ZN]C:506 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
98 |
14.6 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.020 |
40 |
64 |
|
[ZN]C:509 |
1 |
1 |
98 |
f |
[ZN]C:506 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.3 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.020 |
41 |
65 |
|
[ZN]C:509 |
1 |
1 |
98 |
f |
[ZN]C:507 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.1 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.020 |
42 |
66 |
|
[ZN]B:504 |
1 |
1 |
98 |
f |
[ZN]C:507 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
98 |
14.0 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.020 |
43 |
67 |
|
[ZN]C:511 |
1 |
1 |
98 |
◊ |
A |
-x,y,-z+1 |
2_556 |
1 |
1 |
19090 |
11.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.007 |
44 |
68 |
|
[ZN]C:507 |
1 |
1 |
98 |
f |
[ZN]C:506 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.012 |
45 |
69 |
|
[ZN]B:504 |
1 |
1 |
98 |
f |
[ZN]C:509 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
98 |
5.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.008 |
|