## |
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 |
77 |
23 |
6637 |
◊ |
A |
x,y,z |
1_555 |
76 |
22 |
6588 |
649.3 |
-3.5 |
0.335 |
14 |
0 |
0 |
0.076 |
2 |
|
C |
63 |
20 |
6745 |
◊ |
C |
-x,-y,z |
2_555 |
64 |
20 |
6745 |
568.1 |
-4.9 |
0.212 |
6 |
0 |
0 |
0.076 |
Average: |
608.7 |
-4.2 |
0.274 |
10 |
0 |
0 |
0.076 |
2 |
3 |
|
C |
60 |
19 |
6745 |
◊ |
B |
x,y,z |
1_555 |
58 |
19 |
6637 |
584.3 |
-0.1 |
0.533 |
8 |
4 |
0 |
0.024 |
3 |
4 |
|
B |
40 |
16 |
6637 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
49 |
15 |
6745 |
442.1 |
-4.0 |
0.209 |
4 |
0 |
0 |
0.033 |
4 |
5 |
|
C |
42 |
14 |
6745 |
◊ |
A |
-x-1/2,y-1/2,-z |
3_445 |
38 |
12 |
6588 |
344.3 |
1.3 |
0.674 |
10 |
2 |
0 |
0.036 |
5 |
6 |
|
C |
27 |
12 |
6745 |
◊ |
A |
x,y,z-1 |
1_554 |
40 |
12 |
6588 |
307.2 |
1.2 |
0.671 |
5 |
0 |
0 |
0.000 |
6 |
7 |
|
B |
30 |
9 |
6637 |
◊ |
A |
-x-1/2,y-1/2,-z+1 |
3_446 |
24 |
7 |
6588 |
246.8 |
1.6 |
0.715 |
3 |
2 |
0 |
0.000 |
7 |
8 |
|
B |
27 |
8 |
6637 |
◊ |
B |
-x-1,-y,z |
2_455 |
27 |
8 |
6637 |
183.9 |
-0.5 |
0.492 |
0 |
0 |
0 |
0.001 |
8 |
9 |
|
[ACT]A:502 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
6588 |
102.1 |
-0.4 |
0.613 |
3 |
0 |
0 |
0.043 |
9 |
10 |
|
B |
15 |
4 |
6637 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
9 |
3 |
6588 |
98.0 |
-0.6 |
0.320 |
1 |
1 |
0 |
0.005 |
10 |
11 |
|
[SO4]B:503 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
6745 |
66.8 |
-7.8 |
0.866 |
0 |
0 |
0 |
0.044 |
11 |
12 |
|
[ACT]C:204 |
3 |
1 |
182 |
◊ |
A |
-x-1/2,y-1/2,-z |
3_445 |
7 |
5 |
6588 |
60.0 |
0.2 |
0.726 |
2 |
0 |
0 |
0.007 |
12 |
13 |
|
[ACT]C:205 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
6 |
5 |
6745 |
59.8 |
0.9 |
0.833 |
3 |
0 |
0 |
0.005 |
13 |
14 |
|
[ACT]C:204 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
6745 |
52.3 |
0.4 |
0.717 |
0 |
0 |
0 |
0.000 |
14 |
15 |
|
[ACT]C:205 |
4 |
1 |
183 |
◊ |
A |
-x-1/2,y-1/2,-z |
3_445 |
9 |
3 |
6588 |
46.4 |
0.4 |
0.719 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
A |
4 |
2 |
6588 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
6745 |
46.1 |
-0.1 |
0.285 |
0 |
0 |
0 |
0.000 |
16 |
17 |
|
[ZN]A:501 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
6588 |
46.0 |
-24.6 |
0.000 |
0 |
0 |
0 |
0.623 |
18 |
|
[ZN]B:504 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
5 |
6637 |
42.7 |
-21.1 |
0.000 |
0 |
0 |
0 |
0.623 |
19 |
|
[ZN]B:502 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
7 |
5 |
6745 |
34.5 |
-16.4 |
0.000 |
0 |
0 |
0 |
0.623 |
Average: |
41.1 |
-20.7 |
0.000 |
0 |
0 |
0 |
0.623 |
17 |
20 |
|
C |
4 |
2 |
6745 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
1 |
6637 |
35.1 |
1.0 |
0.847 |
1 |
2 |
0 |
0.000 |
18 |
21 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
6637 |
34.9 |
-16.6 |
0.000 |
0 |
0 |
0 |
0.093 |
19 |
22 |
|
[ZN]C:201 |
1 |
1 |
98 |
◊ |
A |
-x-1/2,y-1/2,-z |
3_445 |
7 |
4 |
6588 |
32.3 |
-15.2 |
0.000 |
0 |
0 |
0 |
0.322 |
23 |
|
[ZN]C:202 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
6745 |
32.1 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.322 |
Average: |
32.2 |
-15.4 |
0.000 |
0 |
0 |
0 |
0.322 |
20 |
24 |
|
[ZN]C:201 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
3 |
1 |
6745 |
32.2 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.334 |
25 |
|
[ZN]C:202 |
1 |
1 |
98 |
f |
A |
-x-1/2,y-1/2,-z |
3_445 |
3 |
1 |
6588 |
31.4 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.334 |
26 |
|
[ZN]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
6637 |
26.9 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.334 |
Average: |
30.2 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.334 |
21 |
27 |
|
[ZN]C:203 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
6745 |
30.9 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.142 |
22 |
28 |
|
C |
3 |
1 |
6745 |
◊ |
B |
-x-1/2,y-1/2,-z |
3_445 |
5 |
1 |
6637 |
30.3 |
-0.1 |
0.506 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
[SO4]B:503 |
4 |
1 |
185 |
f |
[ZN]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.8 |
-16.4 |
0.000 |
0 |
0 |
0 |
0.092 |
24 |
30 |
|
[SO4]B:503 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
6637 |
29.4 |
-3.8 |
0.870 |
0 |
0 |
0 |
0.021 |
25 |
31 |
|
[SO4]B:503 |
4 |
1 |
185 |
f |
[ZN]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.9 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.075 |
26 |
32 |
|
A |
4 |
3 |
6588 |
◊ |
A |
-x-1,-y+1,z |
2_465 |
4 |
3 |
6588 |
26.5 |
0.9 |
0.821 |
0 |
0 |
0 |
0.000 |
27 |
33 |
|
[ACT]C:205 |
3 |
1 |
183 |
◊ |
[ZN]C:202 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.1 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.098 |
28 |
34 |
|
[ACT]C:204 |
3 |
1 |
182 |
f |
[ZN]C:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.4 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.105 |
29 |
35 |
|
[ZN]B:504 |
1 |
1 |
98 |
◊ |
B |
-x-1,-y,z |
2_455 |
4 |
2 |
6637 |
24.7 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.053 |
30 |
36 |
|
[ZN]B:504 |
1 |
1 |
98 |
f |
[ZN]B:504 |
-x-1,-y,z |
2_455 |
1 |
1 |
98 |
20.1 |
-16.1 |
0.000 |
0 |
0 |
0 |
0.100 |
31 |
37 |
|
[ZN]C:203 |
1 |
1 |
98 |
◊ |
A |
-x-1/2,y-1/2,-z+1 |
3_446 |
3 |
1 |
6588 |
17.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.030 |
32 |
38 |
|
[SO4]B:503 |
2 |
1 |
185 |
◊ |
[ZN]C:203 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.3 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.049 |
33 |
39 |
|
C |
3 |
1 |
6745 |
◊ |
[ACT]A:502 |
-x-1/2,y-1/2,-z |
3_445 |
1 |
1 |
182 |
14.4 |
-0.5 |
0.421 |
0 |
0 |
0 |
0.005 |
34 |
40 |
|
[ZN]B:501 |
1 |
1 |
98 |
◊ |
A |
-x-1/2,y-1/2,-z+1 |
3_446 |
3 |
1 |
6588 |
13.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.023 |
35 |
41 |
|
[SO4]B:503 |
1 |
1 |
185 |
◊ |
A |
-x-1/2,y-1/2,-z+1 |
3_446 |
1 |
1 |
6588 |
7.7 |
-0.8 |
0.815 |
0 |
0 |
0 |
0.003 |
36 |
42 |
|
[ZN]C:203 |
1 |
1 |
98 |
◊ |
[ZN]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.023 |
37 |
43 |
|
A |
4 |
2 |
6588 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
6745 |
3.9 |
0.2 |
0.704 |
0 |
0 |
0 |
0.000 |
38 |
44 |
|
C |
2 |
2 |
6745 |
◊ |
A |
-x-1/2,y-1/2,-z+1 |
3_446 |
2 |
2 |
6588 |
3.4 |
0.1 |
0.679 |
0 |
0 |
0 |
0.000 |
39 |
45 |
|
[ZN]B:502 |
1 |
1 |
98 |
f |
[ZN]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
|