## |
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 |
159 |
36 |
8601 |
◊ |
A |
x,y,z |
1_555 |
165 |
33 |
8612 |
1475.2 |
-16.6 |
0.066 |
16 |
8 |
0 |
0.117 |
2 |
|
D |
152 |
31 |
8512 |
◊ |
C |
x,y,z |
1_555 |
151 |
32 |
8510 |
1325.4 |
-13.7 |
0.145 |
14 |
8 |
0 |
0.117 |
Average: |
1400.3 |
-15.1 |
0.105 |
15 |
8 |
0 |
0.117 |
2 |
3 |
|
B |
29 |
8 |
8601 |
◊ |
C |
-x+3/2,-y+2,z-1/2 |
2_674 |
35 |
9 |
8510 |
301.9 |
0.4 |
0.657 |
7 |
0 |
0 |
0.006 |
3 |
4 |
|
A |
33 |
11 |
8612 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
34 |
9 |
8601 |
278.0 |
-1.9 |
0.372 |
1 |
0 |
0 |
0.005 |
4 |
5 |
|
A |
29 |
8 |
8612 |
◊ |
C |
-x+2,y-1/2,-z+1/2 |
3_745 |
30 |
8 |
8510 |
262.7 |
0.4 |
0.666 |
6 |
0 |
0 |
0.000 |
5 |
6 |
|
D |
27 |
8 |
8512 |
◊ |
C |
-x+2,y-1/2,-z+1/2 |
3_745 |
20 |
7 |
8510 |
213.4 |
-2.8 |
0.270 |
0 |
0 |
0 |
0.006 |
6 |
7 |
|
D |
14 |
4 |
8512 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
8601 |
144.2 |
1.3 |
0.726 |
3 |
1 |
0 |
0.000 |
7 |
8 |
|
B |
16 |
6 |
8601 |
◊ |
D |
x-1,y,z |
1_455 |
13 |
4 |
8512 |
142.3 |
1.7 |
0.819 |
5 |
0 |
0 |
0.000 |
8 |
9 |
|
[SO4]B:201 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
8601 |
112.4 |
-17.0 |
0.631 |
8 |
0 |
0 |
0.097 |
9 |
10 |
|
[SO4]A:202 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
8612 |
109.2 |
-16.6 |
0.739 |
8 |
0 |
0 |
0.095 |
11 |
|
[SO4]D:201 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
19 |
8 |
8512 |
107.2 |
-16.6 |
0.659 |
8 |
0 |
0 |
0.095 |
Average: |
108.2 |
-16.6 |
0.699 |
8 |
0 |
0 |
0.095 |
10 |
12 |
|
[SO4]C:201 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
8510 |
108.2 |
-16.7 |
0.641 |
7 |
0 |
0 |
0.090 |
11 |
13 |
|
[SO4]D:202 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
18 |
9 |
8512 |
93.7 |
-13.2 |
0.768 |
3 |
0 |
0 |
0.066 |
12 |
14 |
|
[SO4]C:202 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
19 |
10 |
8510 |
92.6 |
-12.7 |
0.809 |
2 |
0 |
0 |
0.062 |
13 |
15 |
|
[SO4]A:201 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
8612 |
91.5 |
-12.1 |
0.857 |
4 |
0 |
0 |
0.065 |
14 |
16 |
|
A |
10 |
4 |
8612 |
◊ |
D |
x-1/2,-y+3/2,-z |
4_465 |
7 |
4 |
8512 |
66.5 |
0.0 |
0.623 |
0 |
0 |
0 |
0.000 |
15 |
17 |
|
[ZN]D:203 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
8512 |
52.2 |
-30.9 |
0.000 |
0 |
0 |
0 |
0.287 |
18 |
|
[ZN]B:203 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
8601 |
52.1 |
-31.0 |
0.000 |
0 |
0 |
0 |
0.287 |
19 |
|
[ZN]A:203 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
8612 |
49.9 |
-30.0 |
0.000 |
0 |
0 |
0 |
0.287 |
20 |
|
[ZN]C:203 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
8510 |
48.9 |
-29.7 |
0.000 |
0 |
0 |
0 |
0.287 |
Average: |
50.8 |
-30.4 |
0.000 |
0 |
0 |
0 |
0.287 |
16 |
21 |
|
[ZN]A:204 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
8612 |
49.5 |
-35.9 |
0.000 |
0 |
0 |
0 |
0.295 |
22 |
|
[ZN]D:204 |
1 |
1 |
98 |
cf |
D |
x,y,z |
1_555 |
6 |
3 |
8512 |
38.4 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.295 |
23 |
|
[ZN]B:202 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
6 |
4 |
8601 |
36.2 |
-26.9 |
0.000 |
0 |
0 |
0 |
0.295 |
24 |
|
[ZN]C:204 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
8510 |
35.8 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.295 |
Average: |
40.0 |
-28.9 |
0.000 |
0 |
0 |
0 |
0.295 |
17 |
25 |
|
B |
5 |
3 |
8601 |
◊ |
[ZN]C:204 |
-x+3/2,-y+2,z-1/2 |
2_674 |
1 |
1 |
98 |
30.9 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.087 |
26 |
|
A |
5 |
2 |
8612 |
◊ |
[ZN]B:202 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
98 |
30.0 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.087 |
27 |
|
[ZN]D:204 |
1 |
1 |
98 |
◊ |
C |
-x+2,y-1/2,-z+1/2 |
3_745 |
4 |
2 |
8510 |
29.1 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.087 |
Average: |
30.0 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.087 |
18 |
28 |
|
A |
3 |
1 |
8612 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
8601 |
25.1 |
0.5 |
0.832 |
0 |
0 |
0 |
0.000 |
19 |
29 |
|
[ZN]A:203 |
1 |
1 |
98 |
f |
[SO4]A:201 |
x,y,z |
1_555 |
2 |
1 |
186 |
17.5 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.043 |
30 |
|
[ZN]D:203 |
1 |
1 |
98 |
f |
[SO4]D:202 |
x,y,z |
1_555 |
2 |
1 |
188 |
15.5 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.043 |
Average: |
16.5 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.043 |
20 |
31 |
|
[ZN]C:203 |
1 |
1 |
98 |
f |
[SO4]C:202 |
x,y,z |
1_555 |
1 |
1 |
186 |
17.2 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.041 |
21 |
32 |
|
A |
2 |
2 |
8612 |
◊ |
C |
-x+3/2,-y+2,z-1/2 |
2_674 |
2 |
2 |
8510 |
16.4 |
0.9 |
0.892 |
0 |
0 |
0 |
0.000 |
22 |
33 |
|
A |
2 |
2 |
8612 |
x |
A |
x-1/2,-y+3/2,-z |
4_465 |
3 |
3 |
8612 |
5.2 |
0.1 |
0.662 |
0 |
0 |
0 |
0.000 |
|