## |
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 |
|
A |
121 |
33 |
21572 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
116 |
31 |
21341 |
1215.7 |
-10.8 |
0.139 |
15 |
12 |
0 |
0.083 |
2 |
2 |
|
[O1H]B:603 |
32 |
1 |
682 |
f |
B |
x,y,z |
1_555 |
69 |
24 |
21341 |
469.9 |
-3.9 |
0.363 |
1 |
0 |
0 |
0.036 |
3 |
|
[O1H]A:603 |
32 |
1 |
684 |
f |
A |
x,y,z |
1_555 |
72 |
25 |
21572 |
469.2 |
-3.6 |
0.378 |
1 |
0 |
0 |
0.036 |
Average: |
469.5 |
-3.7 |
0.371 |
1 |
0 |
0 |
0.036 |
3 |
4 |
|
A |
46 |
16 |
21572 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
42 |
13 |
21341 |
429.6 |
5.1 |
0.921 |
7 |
4 |
0 |
0.000 |
4 |
5 |
|
A |
39 |
12 |
21572 |
◊ |
A |
-x,-y,z |
2_555 |
39 |
12 |
21572 |
410.0 |
1.1 |
0.731 |
10 |
6 |
0 |
0.000 |
5 |
6 |
|
B |
39 |
14 |
21341 |
◊ |
A |
-x+1,-y,z |
2_655 |
39 |
10 |
21572 |
343.6 |
-1.8 |
0.431 |
4 |
0 |
0 |
0.000 |
7 |
|
A |
38 |
12 |
21572 |
◊ |
B |
-x+1,-y,z-1 |
2_654 |
36 |
10 |
21341 |
336.8 |
-0.3 |
0.570 |
5 |
0 |
0 |
0.000 |
Average: |
340.2 |
-1.1 |
0.501 |
5 |
0 |
0 |
0.000 |
6 |
8 |
|
B |
27 |
9 |
21341 |
◊ |
A |
x,y,z |
1_555 |
31 |
11 |
21572 |
245.8 |
-1.9 |
0.371 |
0 |
0 |
0 |
0.000 |
7 |
9 |
|
A |
17 |
5 |
21572 |
x |
A |
x,y,z-1 |
1_554 |
12 |
4 |
21572 |
113.3 |
0.0 |
0.459 |
1 |
0 |
0 |
0.000 |
10 |
|
B |
9 |
4 |
21341 |
x |
B |
x,y,z-1 |
1_554 |
8 |
2 |
21341 |
60.3 |
-1.1 |
0.322 |
0 |
0 |
0 |
0.000 |
Average: |
86.8 |
-0.6 |
0.390 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
[PO4]B:605 |
5 |
1 |
193 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
21341 |
92.0 |
-5.7 |
0.687 |
8 |
0 |
0 |
0.080 |
12 |
|
[PO4]A:605 |
5 |
1 |
192 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
21572 |
91.2 |
-5.8 |
0.666 |
8 |
0 |
0 |
0.080 |
Average: |
91.6 |
-5.8 |
0.676 |
8 |
0 |
0 |
0.080 |
9 |
13 |
|
B |
8 |
4 |
21341 |
◊ |
B |
-x+1,-y,z |
2_655 |
8 |
4 |
21341 |
63.4 |
0.9 |
0.790 |
0 |
0 |
0 |
0.000 |
10 |
14 |
|
[CA]A:604 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
7 |
21572 |
46.5 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.101 |
15 |
|
[CA]B:604 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
21341 |
46.0 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.101 |
Average: |
46.3 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.101 |
11 |
16 |
|
[PO4]A:605 |
4 |
1 |
192 |
f |
[O1H]A:603 |
x,y,z |
1_555 |
4 |
1 |
684 |
37.6 |
-2.0 |
0.441 |
0 |
0 |
0 |
0.017 |
17 |
|
[PO4]B:605 |
4 |
1 |
193 |
f |
[O1H]B:603 |
x,y,z |
1_555 |
5 |
1 |
682 |
37.2 |
-2.0 |
0.505 |
0 |
0 |
0 |
0.017 |
Average: |
37.4 |
-2.0 |
0.473 |
0 |
0 |
0 |
0.017 |
12 |
18 |
|
[ZN]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
21572 |
35.6 |
-23.2 |
0.000 |
0 |
0 |
0 |
0.198 |
19 |
|
[ZN]B:601 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
10 |
7 |
21341 |
35.2 |
-23.2 |
0.000 |
0 |
0 |
0 |
0.198 |
Average: |
35.4 |
-23.2 |
0.000 |
0 |
0 |
0 |
0.198 |
13 |
20 |
|
[ZN]B:602 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
21341 |
31.6 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.202 |
21 |
|
[ZN]A:602 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
21572 |
31.5 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.202 |
Average: |
31.6 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.202 |
14 |
22 |
|
[PO4]A:605 |
3 |
1 |
192 |
cf |
[ZN]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.6 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.098 |
23 |
|
[PO4]B:605 |
3 |
1 |
193 |
cf |
[ZN]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.3 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.098 |
Average: |
23.4 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.098 |
15 |
24 |
|
[PO4]A:605 |
4 |
1 |
192 |
f |
[ZN]A:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.5 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.085 |
25 |
|
[PO4]B:605 |
4 |
1 |
193 |
f |
[ZN]B:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.9 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.085 |
Average: |
21.2 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.085 |
16 |
26 |
|
[ZN]B:602 |
1 |
1 |
98 |
f |
[ZN]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.1 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.045 |
17 |
27 |
|
[ZN]A:602 |
1 |
1 |
98 |
f |
[ZN]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.8 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.044 |
18 |
28 |
|
A |
1 |
1 |
21572 |
◊ |
B |
x-1,y,z-1 |
1_454 |
2 |
1 |
21341 |
8.9 |
0.4 |
0.843 |
0 |
0 |
0 |
0.000 |
19 |
29 |
|
[O1H]A:603 |
1 |
1 |
684 |
f |
[ZN]A:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.012 |
30 |
|
[O1H]B:603 |
1 |
1 |
682 |
f |
[ZN]B:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
4.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.012 |
|