## |
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 |
402 |
103 |
17787 |
◊ |
A |
x,y,z |
1_555 |
406 |
105 |
17660 |
3836.6 |
-29.6 |
0.070 |
57 |
5 |
0 |
0.146 |
2 |
2 |
|
A |
81 |
22 |
17660 |
◊ |
A |
-x+1,y,-z+1 |
3_656 |
81 |
22 |
17660 |
704.3 |
-3.7 |
0.428 |
4 |
2 |
0 |
0.000 |
3 |
3 |
|
B |
44 |
14 |
17787 |
◊ |
B |
x,-y,-z+1 |
4_556 |
44 |
14 |
17787 |
426.8 |
-1.7 |
0.476 |
2 |
2 |
0 |
0.000 |
4 |
4 |
|
A |
39 |
11 |
17660 |
x |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
47 |
16 |
17660 |
384.7 |
-1.8 |
0.406 |
3 |
0 |
0 |
0.000 |
5 |
5 |
|
B |
35 |
13 |
17787 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
29 |
9 |
17660 |
351.9 |
-0.5 |
0.564 |
1 |
0 |
0 |
0.000 |
6 |
6 |
|
B |
25 |
7 |
17787 |
◊ |
B |
x,-y,-z |
4_555 |
25 |
7 |
17787 |
225.4 |
-1.3 |
0.453 |
2 |
0 |
0 |
0.000 |
7 |
7 |
|
[PAE]B:556 |
8 |
1 |
244 |
f |
B |
x,y,z |
1_555 |
24 |
10 |
17787 |
106.9 |
-3.8 |
0.449 |
5 |
0 |
0 |
0.016 |
8 |
8 |
|
[PAE]A:556 |
8 |
1 |
241 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
17660 |
106.0 |
-3.2 |
0.596 |
3 |
0 |
0 |
0.012 |
9 |
9 |
|
[SO4]A:558 |
5 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
17660 |
86.7 |
-12.0 |
0.890 |
5 |
0 |
0 |
0.037 |
10 |
10 |
|
[SO4]B:568 |
5 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
17787 |
84.8 |
-11.6 |
0.889 |
6 |
0 |
0 |
0.037 |
11 |
11 |
|
[PO4]B:557 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
17787 |
68.1 |
-4.3 |
0.544 |
6 |
0 |
0 |
0.032 |
12 |
|
[PO4]A:557 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
17660 |
62.2 |
-3.0 |
0.783 |
5 |
0 |
0 |
0.032 |
Average: |
65.1 |
-3.6 |
0.663 |
6 |
0 |
0 |
0.032 |
12 |
13 |
|
[PAE]B:556 |
5 |
1 |
244 |
f |
[PO4]B:557 |
x,y,z |
1_555 |
5 |
1 |
187 |
53.6 |
-5.1 |
0.634 |
0 |
0 |
0 |
0.013 |
13 |
14 |
|
[PAE]A:556 |
7 |
1 |
241 |
f |
[PO4]A:557 |
x,y,z |
1_555 |
5 |
1 |
187 |
48.7 |
-4.4 |
0.773 |
0 |
0 |
0 |
0.011 |
14 |
15 |
|
[ZN]B:453 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
17787 |
41.8 |
-30.8 |
0.000 |
0 |
0 |
0 |
0.154 |
16 |
|
[ZN]A:453 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
17660 |
39.0 |
-28.2 |
0.000 |
0 |
0 |
0 |
0.154 |
Average: |
40.4 |
-29.5 |
0.000 |
0 |
0 |
0 |
0.154 |
15 |
17 |
|
[MG]B:452 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
17787 |
41.8 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.039 |
18 |
|
[MG]A:452 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
17660 |
39.0 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.039 |
Average: |
40.4 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.039 |
16 |
19 |
|
B |
3 |
1 |
17787 |
◊ |
[SO4]A:558 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
3 |
1 |
182 |
36.5 |
-4.1 |
0.919 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
[ZN]B:450 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
17787 |
27.6 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.098 |
21 |
|
[ZN]A:450 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
17660 |
27.4 |
-18.1 |
0.000 |
0 |
0 |
0 |
0.098 |
Average: |
27.5 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.098 |
18 |
22 |
|
[ZN]B:451 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
17787 |
25.9 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.104 |
23 |
|
[ZN]A:451 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
17660 |
25.0 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.104 |
Average: |
25.5 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.104 |
19 |
24 |
|
[PAE]A:556 |
7 |
1 |
241 |
cf |
[ZN]A:450 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.0 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.054 |
25 |
|
[PAE]B:556 |
5 |
1 |
244 |
cf |
[ZN]B:450 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.6 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.054 |
Average: |
22.8 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.054 |
20 |
26 |
|
[PAE]A:556 |
4 |
1 |
241 |
cf |
[ZN]A:451 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.8 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.042 |
27 |
|
[PAE]B:556 |
1 |
1 |
244 |
f |
[ZN]B:451 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.5 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.042 |
Average: |
20.2 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.042 |
21 |
28 |
|
[PO4]B:557 |
3 |
1 |
187 |
cf |
[ZN]B:450 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.0 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.048 |
29 |
|
[PO4]A:557 |
3 |
1 |
187 |
cf |
[ZN]A:450 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.5 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.048 |
Average: |
18.2 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.048 |
22 |
30 |
|
[PO4]B:557 |
2 |
1 |
187 |
cf |
[ZN]B:451 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.4 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.041 |
31 |
|
[PO4]A:557 |
3 |
1 |
187 |
cf |
[ZN]A:451 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.4 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.041 |
Average: |
16.9 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.041 |
23 |
32 |
|
[PAE]A:556 |
3 |
1 |
241 |
f |
[ZN]A:453 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.020 |
33 |
|
[PAE]B:556 |
2 |
1 |
244 |
f |
[ZN]B:453 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.020 |
Average: |
8.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.020 |
24 |
34 |
|
[PAE]A:556 |
3 |
1 |
241 |
f |
[MG]A:452 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.007 |
35 |
|
[PAE]B:556 |
2 |
1 |
244 |
f |
[MG]B:452 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
8.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.007 |
25 |
36 |
|
[MG]A:452 |
1 |
1 |
98 |
f |
[PO4]A:557 |
x,y,z |
1_555 |
2 |
1 |
187 |
8.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.007 |
37 |
|
[MG]B:452 |
1 |
1 |
98 |
f |
[PO4]B:557 |
x,y,z |
1_555 |
2 |
1 |
187 |
7.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
8.2 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.007 |
26 |
38 |
|
[PO4]A:557 |
2 |
1 |
187 |
f |
[ZN]A:453 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.023 |
39 |
|
[PO4]B:557 |
2 |
1 |
187 |
f |
[ZN]B:453 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.023 |
Average: |
8.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.023 |
27 |
40 |
|
[ZN]A:451 |
1 |
1 |
98 |
f |
[ZN]A:450 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.015 |
28 |
41 |
|
[ZN]B:451 |
1 |
1 |
98 |
f |
[ZN]B:450 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.014 |
29 |
42 |
|
[ZN]B:453 |
1 |
1 |
98 |
f |
[ZN]B:451 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.010 |
30 |
43 |
|
[MG]B:452 |
1 |
1 |
98 |
f |
[ZN]B:451 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.006 |
31 |
44 |
|
[ZN]A:453 |
1 |
1 |
98 |
f |
[ZN]A:451 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.009 |
32 |
45 |
|
[MG]A:452 |
1 |
1 |
98 |
f |
[ZN]A:451 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.005 |
|