## |
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 |
|
C |
58 |
17 |
9579 |
x |
C |
-x,y-1/2,-z |
2_545 |
67 |
19 |
9579 |
555.8 |
-5.0 |
0.174 |
4 |
2 |
0 |
0.000 |
2 |
|
A |
58 |
17 |
9524 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
68 |
20 |
9524 |
553.7 |
-5.0 |
0.175 |
5 |
2 |
0 |
0.000 |
3 |
|
B |
56 |
17 |
9110 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
65 |
19 |
9110 |
547.8 |
-5.0 |
0.186 |
4 |
2 |
0 |
0.000 |
4 |
|
D |
57 |
17 |
9032 |
x |
D |
-x+1,y-1/2,-z |
2_645 |
65 |
18 |
9032 |
546.1 |
-5.2 |
0.153 |
5 |
2 |
0 |
0.000 |
Average: |
550.9 |
-5.1 |
0.172 |
5 |
2 |
0 |
0.000 |
2 |
5 |
|
D |
23 |
8 |
9032 |
◊ |
A |
x,y,z |
1_555 |
23 |
9 |
9524 |
221.7 |
2.2 |
0.814 |
5 |
4 |
0 |
0.000 |
3 |
6 |
|
C |
22 |
8 |
9579 |
◊ |
B |
x,y,z |
1_555 |
28 |
9 |
9110 |
217.4 |
2.0 |
0.798 |
4 |
2 |
0 |
0.000 |
4 |
7 |
|
A |
18 |
6 |
9524 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
20 |
7 |
9110 |
183.3 |
-1.6 |
0.301 |
1 |
1 |
0 |
0.000 |
8 |
|
D |
16 |
6 |
9032 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
15 |
5 |
9579 |
167.5 |
-1.2 |
0.366 |
0 |
1 |
0 |
0.000 |
Average: |
175.4 |
-1.4 |
0.333 |
1 |
1 |
0 |
0.000 |
5 |
9 |
|
B |
21 |
8 |
9110 |
x |
B |
x,y-1,z |
1_545 |
16 |
6 |
9110 |
129.6 |
-0.3 |
0.557 |
0 |
0 |
0 |
0.000 |
10 |
|
D |
20 |
8 |
9032 |
x |
D |
x,y-1,z |
1_545 |
17 |
6 |
9032 |
127.2 |
-0.3 |
0.540 |
0 |
0 |
0 |
0.000 |
11 |
|
C |
18 |
8 |
9579 |
x |
C |
x,y-1,z |
1_545 |
14 |
6 |
9579 |
109.9 |
-0.2 |
0.556 |
0 |
0 |
0 |
0.000 |
12 |
|
A |
19 |
8 |
9524 |
x |
A |
x,y-1,z |
1_545 |
13 |
6 |
9524 |
108.3 |
-0.0 |
0.594 |
0 |
0 |
0 |
0.000 |
Average: |
118.7 |
-0.2 |
0.562 |
0 |
0 |
0 |
0.000 |
6 |
13 |
|
[SO4]C:303 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
23 |
11 |
9579 |
104.2 |
-15.4 |
0.677 |
2 |
0 |
0 |
0.016 |
7 |
14 |
|
[SO4]A:303 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
9524 |
103.0 |
-16.5 |
0.512 |
2 |
0 |
0 |
0.017 |
8 |
15 |
|
[SO4]D:303 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
21 |
10 |
9032 |
102.6 |
-16.3 |
0.396 |
2 |
0 |
0 |
0.017 |
9 |
16 |
|
[SO4]B:303 |
5 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
9110 |
100.0 |
-16.3 |
0.320 |
2 |
0 |
0 |
0.017 |
10 |
17 |
|
B |
13 |
6 |
9110 |
◊ |
D |
x-1,y+1,z |
1_465 |
9 |
2 |
9032 |
83.7 |
-0.1 |
0.570 |
1 |
0 |
0 |
0.000 |
11 |
18 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
9110 |
35.1 |
-24.9 |
0.000 |
0 |
0 |
0 |
0.025 |
19 |
|
[ZN]D:302 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
9032 |
34.8 |
-24.6 |
0.000 |
0 |
0 |
0 |
0.025 |
20 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
9524 |
34.3 |
-24.5 |
0.000 |
0 |
0 |
0 |
0.025 |
21 |
|
[ZN]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
9579 |
34.2 |
-24.6 |
0.000 |
0 |
0 |
0 |
0.025 |
Average: |
34.6 |
-24.6 |
0.000 |
0 |
0 |
0 |
0.025 |
12 |
22 |
|
[ZN]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
9032 |
34.9 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.026 |
23 |
|
[ZN]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
5 |
9579 |
34.4 |
-25.2 |
0.000 |
0 |
0 |
0 |
0.026 |
24 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
9110 |
34.3 |
-25.6 |
0.000 |
0 |
0 |
0 |
0.026 |
25 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
9524 |
34.2 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
34.5 |
-25.7 |
0.000 |
0 |
0 |
0 |
0.026 |
13 |
26 |
|
[SO4]A:303 |
4 |
1 |
186 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.0 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.012 |
27 |
|
[SO4]B:303 |
3 |
1 |
181 |
f |
[ZN]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.0 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
24.0 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.012 |
14 |
28 |
|
[SO4]C:303 |
3 |
1 |
185 |
f |
[ZN]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.0 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.012 |
15 |
29 |
|
[SO4]D:303 |
3 |
1 |
185 |
f |
[ZN]D:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.0 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.012 |
16 |
30 |
|
[SO4]B:303 |
3 |
1 |
181 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.8 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.012 |
17 |
31 |
|
[SO4]D:303 |
3 |
1 |
185 |
f |
[ZN]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.7 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.011 |
18 |
32 |
|
[SO4]A:303 |
4 |
1 |
186 |
f |
[ZN]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.6 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.011 |
19 |
33 |
|
[SO4]C:303 |
3 |
1 |
185 |
f |
[ZN]C:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.4 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.011 |
20 |
34 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.6 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.011 |
21 |
35 |
|
[ZN]C:302 |
1 |
1 |
98 |
f |
[ZN]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.6 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.011 |
22 |
36 |
|
[ZN]D:302 |
1 |
1 |
98 |
f |
[ZN]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.5 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.011 |
23 |
37 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.3 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.010 |
24 |
38 |
|
D |
1 |
1 |
9032 |
◊ |
C |
x,y-1,z |
1_545 |
1 |
1 |
9579 |
6.3 |
0.3 |
0.823 |
0 |
0 |
0 |
0.000 |
25 |
39 |
|
C |
3 |
2 |
9579 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9524 |
5.4 |
0.0 |
0.636 |
0 |
0 |
0 |
0.000 |
26 |
40 |
|
B |
2 |
2 |
9110 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
9032 |
5.4 |
0.1 |
0.682 |
0 |
0 |
0 |
0.000 |
|