## |
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 |
51 |
12 |
3030 |
◊ |
A |
x,y,z |
1_555 |
70 |
15 |
2903 |
573.0 |
-11.2 |
0.304 |
2 |
3 |
0 |
0.000 |
2 |
|
C |
56 |
13 |
2999 |
◊ |
B |
x,y,z |
1_555 |
62 |
14 |
3030 |
554.6 |
-11.5 |
0.308 |
2 |
1 |
0 |
0.000 |
3 |
|
C |
62 |
14 |
2999 |
◊ |
A |
x,y,z |
1_555 |
45 |
12 |
2903 |
534.8 |
-11.8 |
0.228 |
2 |
1 |
0 |
0.000 |
Average: |
554.1 |
-11.5 |
0.280 |
2 |
2 |
0 |
0.000 |
2 |
4 |
|
B |
29 |
7 |
3030 |
◊ |
A |
-x-1/2,y-1/2,-z-1 |
4_444 |
29 |
9 |
2903 |
263.7 |
-5.8 |
0.401 |
0 |
0 |
0 |
0.000 |
3 |
5 |
|
C |
20 |
6 |
2999 |
x |
C |
-x-1/2,y-1/2,-z |
4_445 |
25 |
6 |
2999 |
166.8 |
-0.2 |
0.799 |
0 |
0 |
0 |
0.000 |
4 |
6 |
|
B |
18 |
4 |
3030 |
◊ |
C |
x-1/2,y-1/2,z |
3_445 |
21 |
6 |
2999 |
143.6 |
-2.0 |
0.627 |
0 |
0 |
0 |
0.000 |
5 |
7 |
|
A |
13 |
3 |
2903 |
◊ |
A |
-x-1,y,-z |
2_455 |
13 |
3 |
2903 |
125.4 |
0.2 |
0.790 |
2 |
0 |
0 |
0.000 |
8 |
|
C |
6 |
2 |
2999 |
◊ |
B |
-x-1,y,-z |
2_455 |
10 |
3 |
3030 |
82.1 |
-0.8 |
0.565 |
1 |
0 |
0 |
0.000 |
Average: |
103.7 |
-0.3 |
0.677 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
A |
9 |
3 |
2903 |
◊ |
C |
-x-1/2,y-1/2,-z-1 |
4_444 |
10 |
4 |
2999 |
86.8 |
2.1 |
0.929 |
2 |
4 |
0 |
0.000 |
7 |
10 |
|
[ACE]A:0 |
3 |
1 |
171 |
cf |
A |
x,y,z |
1_555 |
8 |
3 |
2903 |
73.0 |
-0.4 |
0.819 |
2 |
0 |
0 |
0.006 |
8 |
11 |
|
[ACE]B:0 |
3 |
1 |
171 |
cf |
B |
x,y,z |
1_555 |
7 |
3 |
3030 |
60.7 |
-0.2 |
0.814 |
2 |
0 |
0 |
0.032 |
9 |
12 |
|
[ACE]C:0 |
3 |
1 |
171 |
cf |
C |
x,y,z |
1_555 |
10 |
4 |
2999 |
59.4 |
-0.1 |
0.838 |
2 |
0 |
0 |
0.006 |
10 |
13 |
|
[NH2]C:30 |
1 |
1 |
117 |
cf |
C |
x,y,z |
1_555 |
8 |
4 |
2999 |
54.5 |
0.5 |
0.808 |
0 |
0 |
0 |
0.000 |
11 |
14 |
|
[ACE]C:0 |
3 |
1 |
171 |
◊ |
C |
-x-1/2,y-1/2,-z |
4_445 |
14 |
4 |
2999 |
49.8 |
-1.3 |
0.681 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
A |
7 |
2 |
2903 |
x |
A |
-x-1/2,y-1/2,-z-1 |
4_444 |
4 |
1 |
2903 |
49.3 |
-0.1 |
0.700 |
0 |
0 |
0 |
0.000 |
16 |
|
B |
3 |
1 |
3030 |
x |
C |
-x-1/2,y-1/2,-z-1 |
4_444 |
5 |
2 |
2999 |
37.1 |
1.1 |
0.871 |
1 |
2 |
0 |
0.000 |
Average: |
43.2 |
0.5 |
0.785 |
1 |
1 |
0 |
0.000 |
13 |
17 |
|
[NH2]A:30 |
1 |
1 |
117 |
cf |
A |
x,y,z |
1_555 |
8 |
4 |
2903 |
48.8 |
0.6 |
0.825 |
0 |
0 |
0 |
0.000 |
18 |
|
[NH2]B:30 |
1 |
1 |
117 |
cf |
B |
x,y,z |
1_555 |
7 |
4 |
3030 |
48.0 |
0.6 |
0.804 |
0 |
0 |
0 |
0.000 |
Average: |
48.4 |
0.6 |
0.814 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
A |
5 |
3 |
2903 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
4 |
2 |
3030 |
45.3 |
1.6 |
0.900 |
1 |
2 |
0 |
0.000 |
15 |
20 |
|
[ACE]B:0 |
3 |
1 |
171 |
◊ |
C |
x-1/2,y-1/2,z |
3_445 |
11 |
3 |
2999 |
44.6 |
-1.1 |
0.675 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
[ZN]B:1031 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
3030 |
38.8 |
-20.7 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
|
[ZN]A:1032 |
1 |
1 |
98 |
◊ |
C |
-x-1/2,y-1/2,-z-1 |
4_444 |
8 |
3 |
2999 |
32.7 |
-18.6 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
|
[ZN]A:1032 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
2903 |
30.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
34.0 |
-17.3 |
0.000 |
0 |
0 |
0 |
0.000 |
17 |
24 |
|
[NH2]B:30 |
1 |
1 |
117 |
◊ |
A |
-x-1/2,y-1/2,-z-1 |
4_444 |
7 |
3 |
2903 |
38.7 |
-0.0 |
0.740 |
0 |
0 |
0 |
0.000 |
25 |
|
B |
5 |
2 |
3030 |
◊ |
[NH2]A:30 |
-x-1/2,y-1/2,-z-1 |
4_444 |
1 |
1 |
117 |
37.0 |
-0.0 |
0.703 |
0 |
0 |
0 |
0.000 |
Average: |
37.8 |
-0.0 |
0.722 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
[ACE]A:0 |
2 |
1 |
171 |
◊ |
A |
-x-1,y,-z |
2_455 |
4 |
2 |
2903 |
38.3 |
-0.2 |
0.870 |
0 |
0 |
0 |
0.000 |
27 |
|
[ACE]C:0 |
2 |
1 |
171 |
◊ |
B |
-x-1,y,-z |
2_455 |
4 |
2 |
3030 |
28.7 |
-0.2 |
0.857 |
0 |
0 |
0 |
0.000 |
Average: |
33.5 |
-0.2 |
0.863 |
0 |
0 |
0 |
0.000 |
19 |
28 |
|
[ARS]A:1030 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
2999 |
38.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
|
[ARS]A:1030 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
3030 |
37.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
|
[ARS]A:1030 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
2903 |
36.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
37.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
31 |
|
B |
3 |
1 |
3030 |
x |
B |
x-1/2,y+1/2,z |
3_455 |
4 |
2 |
3030 |
37.9 |
0.9 |
0.858 |
1 |
2 |
0 |
0.000 |
21 |
32 |
|
B |
6 |
2 |
3030 |
◊ |
[NH2]C:30 |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
117 |
36.4 |
0.7 |
0.881 |
0 |
0 |
0 |
0.000 |
22 |
33 |
|
A |
3 |
1 |
2903 |
◊ |
C |
x,y,z-1 |
1_554 |
4 |
1 |
2999 |
33.0 |
0.6 |
0.828 |
1 |
2 |
0 |
0.000 |
23 |
34 |
|
A |
6 |
2 |
2903 |
f |
[ZN]B:1030 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
98 |
31.7 |
-14.8 |
0.000 |
0 |
0 |
0 |
0.062 |
24 |
35 |
|
[ACE]A:0 |
1 |
1 |
171 |
◊ |
[ACE]A:0 |
-x-1,y,-z |
2_455 |
1 |
1 |
171 |
29.7 |
-1.0 |
0.667 |
0 |
0 |
0 |
0.000 |
25 |
36 |
|
[ZN]A:1031 |
1 |
1 |
98 |
cf |
C |
-x-1/2,y-1/2,-z-1 |
4_444 |
6 |
2 |
2999 |
29.7 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.097 |
26 |
37 |
|
[ZN]A:1031 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
2903 |
28.4 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
|
[ZN]B:1030 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
3030 |
28.2 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
28.3 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
39 |
|
B |
4 |
1 |
3030 |
◊ |
[ZN]B:1030 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
98 |
26.8 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
40 |
|
[ZN]A:1031 |
1 |
1 |
98 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
1 |
2999 |
25.4 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
41 |
|
B |
5 |
2 |
3030 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
3 |
1 |
2903 |
23.0 |
0.2 |
0.757 |
0 |
0 |
0 |
0.000 |
30 |
42 |
|
[ZN]B:1031 |
1 |
1 |
98 |
f |
A |
-x-1/2,y-1/2,-z |
4_445 |
3 |
1 |
2903 |
21.5 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.035 |
31 |
43 |
|
[ACE]C:0 |
1 |
1 |
171 |
◊ |
[ACE]B:0 |
-x-1,y,-z |
2_455 |
1 |
1 |
171 |
18.8 |
-0.6 |
0.667 |
0 |
0 |
0 |
0.000 |
32 |
44 |
|
A |
6 |
3 |
2903 |
◊ |
[ZN]B:1031 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
98 |
17.9 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
45 |
|
C |
3 |
1 |
2999 |
◊ |
A |
-x-1,y,-z |
2_455 |
2 |
1 |
2903 |
11.3 |
-0.1 |
0.667 |
0 |
0 |
0 |
0.000 |
34 |
46 |
|
[ZN]A:1032 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
3030 |
10.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.085 |
35 |
47 |
|
[ACE]B:0 |
2 |
1 |
171 |
◊ |
C |
-x-1,y,-z |
2_455 |
4 |
3 |
2999 |
9.3 |
-0.1 |
0.810 |
0 |
0 |
0 |
0.000 |
36 |
48 |
|
B |
1 |
1 |
3030 |
◊ |
A |
-x-1,y,-z |
2_455 |
3 |
1 |
2903 |
7.8 |
0.2 |
0.811 |
0 |
0 |
0 |
0.000 |
37 |
49 |
|
[ZN]A:1032 |
1 |
1 |
98 |
◊ |
[ACE]B:0 |
-x-1,y,-z-1 |
2_454 |
1 |
1 |
171 |
7.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
50 |
|
[ACE]B:0 |
1 |
1 |
171 |
◊ |
A |
-x-1,y,-z-1 |
2_454 |
1 |
1 |
2903 |
5.8 |
-0.0 |
0.755 |
0 |
0 |
0 |
0.000 |
39 |
51 |
|
[ZN]B:1031 |
1 |
1 |
98 |
◊ |
[ZN]B:1030 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
52 |
|
C |
2 |
1 |
2999 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
2903 |
5.4 |
-0.2 |
0.534 |
0 |
0 |
0 |
0.000 |
41 |
53 |
|
[ZN]B:1030 |
1 |
1 |
98 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
2903 |
3.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
54 |
|
[ZN]A:1032 |
1 |
1 |
98 |
◊ |
[ZN]A:1031 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
55 |
|
B |
1 |
1 |
3030 |
◊ |
C |
-x-1/2,y-1/2,-z |
4_445 |
3 |
1 |
2999 |
3.0 |
0.1 |
0.771 |
0 |
0 |
0 |
0.000 |
44 |
56 |
|
B |
1 |
1 |
3030 |
◊ |
[ZN]B:1031 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
98 |
0.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
57 |
|
[ZN]A:1031 |
1 |
1 |
98 |
◊ |
[ACE]C:0 |
x,y,z-1 |
1_554 |
1 |
1 |
171 |
0.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
58 |
|
[ZN]A:1031 |
1 |
1 |
98 |
◊ |
A |
-x-1/2,y-1/2,-z-1 |
4_444 |
1 |
1 |
2903 |
0.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|