## |
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 |
|
D |
106 |
29 |
8529 |
◊ |
A |
x,y,z |
1_555 |
112 |
31 |
8613 |
1060.8 |
-11.8 |
0.143 |
11 |
0 |
0 |
0.074 |
2 |
|
C |
109 |
28 |
8522 |
◊ |
B |
x,y,z |
1_555 |
109 |
31 |
8690 |
1057.4 |
-13.1 |
0.115 |
9 |
0 |
0 |
0.074 |
Average: |
1059.1 |
-12.4 |
0.129 |
10 |
0 |
0 |
0.074 |
2 |
3 |
|
D |
78 |
23 |
8529 |
◊ |
B |
x,y,z |
1_555 |
84 |
26 |
8690 |
803.4 |
-7.9 |
0.238 |
12 |
10 |
0 |
0.068 |
4 |
|
C |
81 |
22 |
8522 |
◊ |
A |
x,y,z |
1_555 |
84 |
24 |
8613 |
797.3 |
-9.2 |
0.157 |
11 |
12 |
0 |
0.068 |
Average: |
800.4 |
-8.6 |
0.198 |
12 |
11 |
0 |
0.068 |
3 |
5 |
|
A |
38 |
12 |
8613 |
◊ |
D |
-y+1,x-y,z+1/3 |
2_655 |
43 |
13 |
8529 |
347.1 |
-1.7 |
0.448 |
2 |
1 |
0 |
0.000 |
6 |
|
C |
41 |
14 |
8522 |
◊ |
B |
-y,x-y,z+1/3 |
2_555 |
41 |
14 |
8690 |
345.4 |
-3.2 |
0.298 |
2 |
0 |
0 |
0.000 |
Average: |
346.2 |
-2.4 |
0.373 |
2 |
1 |
0 |
0.000 |
4 |
7 |
|
A |
32 |
11 |
8613 |
◊ |
B |
-y+1,x-y,z+1/3 |
2_655 |
34 |
13 |
8690 |
292.6 |
-3.3 |
0.271 |
3 |
0 |
0 |
0.000 |
8 |
|
A |
34 |
13 |
8613 |
◊ |
B |
-y,x-y,z+1/3 |
2_555 |
34 |
12 |
8690 |
283.6 |
-3.3 |
0.281 |
5 |
0 |
0 |
0.000 |
Average: |
288.1 |
-3.3 |
0.276 |
4 |
0 |
0 |
0.000 |
5 |
9 |
|
[SO4]C:503 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
14 |
9 |
8522 |
97.2 |
-15.5 |
0.252 |
4 |
0 |
0 |
0.076 |
6 |
10 |
|
[SO4]D:505 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
13 |
8 |
8529 |
94.8 |
-15.8 |
0.237 |
4 |
0 |
0 |
0.076 |
7 |
11 |
|
[SO4]B:502 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
10 |
8690 |
94.5 |
-15.9 |
0.268 |
4 |
0 |
0 |
0.077 |
8 |
12 |
|
[SO4]A:501 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
8613 |
93.0 |
-16.2 |
0.291 |
5 |
0 |
0 |
0.080 |
9 |
13 |
|
C |
13 |
8 |
8522 |
◊ |
A |
x-1,y,z |
1_455 |
10 |
4 |
8613 |
80.3 |
0.2 |
0.587 |
0 |
0 |
0 |
0.000 |
14 |
|
B |
13 |
4 |
8690 |
◊ |
D |
x-1,y-1,z |
1_445 |
15 |
7 |
8529 |
76.3 |
0.3 |
0.668 |
0 |
0 |
0 |
0.000 |
Average: |
78.3 |
0.2 |
0.627 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
[SO4]C:504 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
8522 |
63.6 |
-8.5 |
0.820 |
2 |
0 |
0 |
0.041 |
11 |
16 |
|
[SO4]D:506 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
8529 |
63.4 |
-8.4 |
0.808 |
2 |
0 |
0 |
0.040 |
12 |
17 |
|
[ZN]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
8690 |
33.9 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.218 |
18 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
8613 |
33.4 |
-24.9 |
0.000 |
0 |
0 |
0 |
0.218 |
19 |
|
[ZN]C:305 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
8522 |
32.9 |
-24.6 |
0.000 |
0 |
0 |
0 |
0.218 |
20 |
|
[ZN]D:308 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
8529 |
32.6 |
-24.4 |
0.000 |
0 |
0 |
0 |
0.218 |
Average: |
33.2 |
-24.8 |
0.000 |
0 |
0 |
0 |
0.218 |
13 |
21 |
|
[ZN]C:306 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
8522 |
33.9 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.219 |
22 |
|
[ZN]A:302 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
9 |
6 |
8613 |
33.2 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.219 |
23 |
|
[ZN]D:307 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
8529 |
33.1 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.219 |
24 |
|
[ZN]B:304 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
8 |
5 |
8690 |
33.0 |
-24.8 |
0.000 |
0 |
0 |
0 |
0.219 |
Average: |
33.3 |
-25.1 |
0.000 |
0 |
0 |
0 |
0.219 |
14 |
25 |
|
[SO4]C:503 |
3 |
1 |
186 |
f |
[ZN]C:306 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.3 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.055 |
15 |
26 |
|
[SO4]D:505 |
3 |
1 |
186 |
f |
[ZN]D:308 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.9 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.157 |
27 |
|
[SO4]D:505 |
3 |
1 |
186 |
f |
[ZN]D:307 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.8 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.157 |
28 |
|
[SO4]B:502 |
4 |
1 |
185 |
f |
[ZN]B:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.4 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.157 |
Average: |
23.4 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.157 |
16 |
29 |
|
[SO4]C:503 |
3 |
1 |
186 |
f |
[ZN]C:305 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.9 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.054 |
17 |
30 |
|
[SO4]B:502 |
4 |
1 |
185 |
f |
[ZN]B:304 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.3 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.053 |
18 |
31 |
|
[SO4]A:501 |
4 |
1 |
186 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.5 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.052 |
19 |
32 |
|
[SO4]A:501 |
4 |
1 |
186 |
f |
[ZN]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.4 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.052 |
20 |
33 |
|
[SO4]D:506 |
1 |
1 |
187 |
◊ |
[SO4]C:504 |
x,y,z |
1_555 |
2 |
1 |
186 |
17.1 |
-4.1 |
0.876 |
0 |
0 |
0 |
0.008 |
21 |
34 |
|
[SO4]C:503 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8613 |
13.4 |
-1.7 |
0.469 |
0 |
0 |
0 |
0.007 |
22 |
35 |
|
[SO4]D:505 |
2 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
8690 |
12.8 |
-1.6 |
0.531 |
0 |
0 |
0 |
0.007 |
23 |
36 |
|
[SO4]A:501 |
1 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
8522 |
12.6 |
-1.7 |
0.460 |
0 |
0 |
0 |
0.007 |
24 |
37 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.4 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.043 |
25 |
38 |
|
[ZN]B:304 |
1 |
1 |
98 |
f |
[ZN]B:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.3 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.043 |
26 |
39 |
|
[SO4]B:502 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
8529 |
12.3 |
-1.6 |
0.355 |
0 |
0 |
0 |
0.007 |
27 |
40 |
|
[ZN]D:308 |
1 |
1 |
98 |
f |
[ZN]D:307 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.0 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.042 |
28 |
41 |
|
[ZN]C:306 |
1 |
1 |
98 |
f |
[ZN]C:305 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.9 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.042 |
29 |
42 |
|
[SO4]D:506 |
1 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
8690 |
8.4 |
-0.9 |
0.780 |
0 |
0 |
0 |
0.004 |
30 |
43 |
|
[SO4]C:504 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8613 |
2.3 |
-0.2 |
0.852 |
0 |
0 |
0 |
0.001 |
31 |
44 |
|
C |
1 |
1 |
8522 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
8529 |
2.3 |
0.0 |
0.581 |
0 |
0 |
0 |
0.000 |
32 |
45 |
|
[SO4]C:504 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8690 |
0.6 |
-0.1 |
0.764 |
0 |
0 |
0 |
0.000 |
|