| ## |
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 |
113 |
35 |
16859 |
◊ |
A |
x,y,z |
1_555 |
114 |
35 |
16877 |
1048.0 |
-3.7 |
0.437 |
12 |
0 |
0 |
0.048 |
2 |
|
D |
112 |
34 |
16868 |
◊ |
C |
x,y,z |
1_555 |
114 |
35 |
16857 |
1039.9 |
-3.8 |
0.430 |
13 |
0 |
0 |
0.048 |
3 |
|
H |
110 |
33 |
16869 |
◊ |
G |
x,y,z |
1_555 |
108 |
32 |
16870 |
988.8 |
-3.5 |
0.443 |
13 |
0 |
0 |
0.048 |
4 |
|
F |
108 |
33 |
16865 |
◊ |
E |
x,y,z |
1_555 |
109 |
34 |
16855 |
974.8 |
-3.5 |
0.437 |
11 |
0 |
0 |
0.048 |
| Average: |
1012.9 |
-3.6 |
0.437 |
12 |
0 |
0 |
0.048 |
| 2 |
5 |
|
F |
108 |
30 |
16865 |
◊ |
C |
x,y,z |
1_555 |
105 |
31 |
16857 |
974.0 |
-14.2 |
0.024 |
3 |
0 |
0 |
0.096 |
6 |
|
E |
101 |
30 |
16855 |
◊ |
D |
x,y,z |
1_555 |
103 |
30 |
16868 |
953.0 |
-13.9 |
0.024 |
5 |
0 |
0 |
0.096 |
7 |
|
H |
102 |
30 |
16869 |
◊ |
A |
x,y,z |
1_555 |
98 |
29 |
16877 |
945.2 |
-14.7 |
0.016 |
6 |
0 |
0 |
0.096 |
8 |
|
G |
97 |
30 |
16870 |
◊ |
B |
x,y,z |
1_555 |
97 |
30 |
16859 |
937.8 |
-13.9 |
0.020 |
6 |
0 |
0 |
0.096 |
| Average: |
952.5 |
-14.2 |
0.021 |
5 |
0 |
0 |
0.096 |
| 3 |
9 |
|
D |
72 |
23 |
16868 |
◊ |
A |
x,y,z |
1_555 |
64 |
19 |
16877 |
659.9 |
-1.1 |
0.535 |
6 |
2 |
0 |
0.000 |
10 |
|
H |
66 |
19 |
16869 |
◊ |
F |
x-1/2,y-1/2,z |
3_445 |
71 |
21 |
16865 |
650.2 |
-1.2 |
0.525 |
6 |
2 |
0 |
0.000 |
| Average: |
655.0 |
-1.1 |
0.530 |
6 |
2 |
0 |
0.000 |
| 4 |
11 |
|
H |
67 |
16 |
16869 |
◊ |
H |
-x+1,y,-z+1 |
2_656 |
66 |
16 |
16869 |
529.4 |
-5.0 |
0.239 |
0 |
2 |
0 |
0.000 |
| 5 |
12 |
|
D |
43 |
15 |
16868 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
52 |
20 |
16877 |
413.7 |
1.9 |
0.742 |
5 |
2 |
0 |
0.000 |
| 6 |
13 |
|
B |
45 |
12 |
16859 |
◊ |
C |
x-1/2,y-1/2,z |
3_445 |
45 |
16 |
16857 |
398.2 |
-1.2 |
0.487 |
2 |
1 |
0 |
0.000 |
14 |
|
G |
44 |
12 |
16870 |
◊ |
E |
x,y,z |
1_555 |
42 |
15 |
16855 |
389.7 |
-1.3 |
0.473 |
2 |
2 |
0 |
0.000 |
| Average: |
394.0 |
-1.3 |
0.480 |
2 |
2 |
0 |
0.000 |
| 7 |
15 |
|
B |
41 |
11 |
16859 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
47 |
15 |
16857 |
375.5 |
-1.7 |
0.408 |
2 |
2 |
0 |
0.000 |
16 |
|
G |
36 |
11 |
16870 |
◊ |
E |
-x+1,y,-z |
2_655 |
41 |
13 |
16855 |
319.0 |
-0.1 |
0.589 |
1 |
2 |
0 |
0.000 |
| Average: |
347.3 |
-0.9 |
0.498 |
2 |
2 |
0 |
0.000 |
| 8 |
17 |
|
E |
12 |
6 |
16855 |
◊ |
E |
-x+1,y,-z |
2_655 |
12 |
6 |
16855 |
118.5 |
0.6 |
0.708 |
0 |
0 |
0 |
0.000 |
18 |
|
C |
12 |
6 |
16857 |
◊ |
C |
-x+1,y,-z |
2_655 |
12 |
6 |
16857 |
115.7 |
0.7 |
0.717 |
0 |
0 |
0 |
0.000 |
| Average: |
117.1 |
0.7 |
0.713 |
0 |
0 |
0 |
0.000 |
| 9 |
19 |
|
[ZN]C:501 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
16857 |
47.4 |
-33.4 |
0.000 |
0 |
0 |
0 |
0.373 |
20 |
|
[ZN]E:501 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
15 |
9 |
16855 |
47.1 |
-33.1 |
0.000 |
0 |
0 |
0 |
0.373 |
21 |
|
[ZN]F:501 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
15 |
9 |
16865 |
47.0 |
-33.3 |
0.000 |
0 |
0 |
0 |
0.373 |
22 |
|
[ZN]G:501 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
15 |
8 |
16870 |
46.7 |
-32.4 |
0.000 |
0 |
0 |
0 |
0.373 |
23 |
|
[ZN]H:501 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
15 |
9 |
16869 |
46.7 |
-33.0 |
0.000 |
0 |
0 |
0 |
0.373 |
24 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
16859 |
46.5 |
-33.1 |
0.000 |
0 |
0 |
0 |
0.373 |
25 |
|
[ZN]D:501 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
15 |
9 |
16868 |
46.5 |
-33.0 |
0.000 |
0 |
0 |
0 |
0.373 |
26 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
16877 |
46.3 |
-33.2 |
0.000 |
0 |
0 |
0 |
0.373 |
| Average: |
46.8 |
-33.0 |
0.000 |
0 |
0 |
0 |
0.373 |
| 10 |
27 |
|
[ZN]F:502 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
12 |
7 |
16865 |
46.0 |
-32.7 |
0.000 |
0 |
0 |
0 |
0.366 |
28 |
|
[ZN]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
16857 |
45.6 |
-32.7 |
0.000 |
0 |
0 |
0 |
0.366 |
29 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
16877 |
45.3 |
-32.4 |
0.000 |
0 |
0 |
0 |
0.366 |
30 |
|
[ZN]H:502 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
12 |
7 |
16869 |
45.2 |
-32.2 |
0.000 |
0 |
0 |
0 |
0.366 |
31 |
|
[ZN]E:502 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
12 |
7 |
16855 |
45.2 |
-32.4 |
0.000 |
0 |
0 |
0 |
0.366 |
32 |
|
[ZN]G:502 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
12 |
6 |
16870 |
45.2 |
-31.6 |
0.000 |
0 |
0 |
0 |
0.366 |
33 |
|
[ZN]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
16868 |
45.2 |
-32.4 |
0.000 |
0 |
0 |
0 |
0.366 |
34 |
|
[ZN]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
16859 |
44.8 |
-32.5 |
0.000 |
0 |
0 |
0 |
0.366 |
| Average: |
45.3 |
-32.4 |
0.000 |
0 |
0 |
0 |
0.366 |
| 11 |
35 |
|
A |
2 |
1 |
16877 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
2 |
1 |
16877 |
21.5 |
0.7 |
0.885 |
0 |
0 |
0 |
0.000 |
| 12 |
36 |
|
[ZN]B:502 |
1 |
1 |
98 |
f |
[ZN]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.1 |
-16.1 |
0.000 |
0 |
0 |
0 |
0.090 |
| 13 |
37 |
|
[ZN]E:502 |
1 |
1 |
98 |
f |
[ZN]E:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.1 |
-16.1 |
0.000 |
0 |
0 |
0 |
0.090 |
| 14 |
38 |
|
[ZN]H:502 |
1 |
1 |
98 |
f |
[ZN]H:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.0 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.089 |
| 15 |
39 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.9 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.089 |
| 16 |
40 |
|
[ZN]D:502 |
1 |
1 |
98 |
f |
[ZN]D:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.7 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.088 |
| 17 |
41 |
|
[ZN]F:502 |
1 |
1 |
98 |
f |
[ZN]F:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.5 |
-15.6 |
0.000 |
0 |
0 |
0 |
0.087 |
| 18 |
42 |
|
[ZN]C:502 |
1 |
1 |
98 |
f |
[ZN]C:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.5 |
-15.6 |
0.000 |
0 |
0 |
0 |
0.087 |
| 19 |
43 |
|
[ZN]G:502 |
1 |
1 |
98 |
f |
[ZN]G:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.4 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.087 |
| 20 |
44 |
|
D |
2 |
1 |
16868 |
◊ |
F |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
16865 |
18.3 |
1.3 |
0.961 |
0 |
0 |
0 |
0.000 |
| 21 |
45 |
|
D |
2 |
2 |
16868 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
2 |
2 |
16868 |
6.7 |
0.2 |
0.752 |
0 |
0 |
0 |
0.000 |
|