## |
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 |
217 |
63 |
9555 |
◊ |
A |
x,y,z |
1_555 |
185 |
43 |
17124 |
2092.2 |
-42.0 |
0.000 |
16 |
6 |
0 |
0.303 |
2 |
|
D |
208 |
63 |
9505 |
◊ |
C |
x,y,z |
1_555 |
181 |
43 |
16847 |
2025.2 |
-42.4 |
0.000 |
15 |
6 |
0 |
0.303 |
Average: |
2058.7 |
-42.2 |
0.000 |
16 |
6 |
0 |
0.303 |
2 |
3 |
|
C |
139 |
43 |
16847 |
◊ |
A |
x,y,z |
1_555 |
131 |
41 |
17124 |
1311.2 |
-15.1 |
0.165 |
6 |
3 |
0 |
0.124 |
3 |
4 |
|
A |
73 |
23 |
17124 |
◊ |
E |
x,y,z |
1_555 |
59 |
11 |
1586 |
644.9 |
-5.2 |
0.723 |
14 |
2 |
0 |
0.154 |
4 |
5 |
|
E |
33 |
9 |
1586 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
42 |
12 |
16847 |
391.9 |
-4.3 |
0.559 |
6 |
0 |
0 |
0.010 |
5 |
6 |
|
A |
34 |
9 |
17124 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
29 |
11 |
9505 |
299.3 |
1.0 |
0.788 |
4 |
4 |
0 |
0.000 |
6 |
7 |
|
B |
32 |
11 |
9555 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
33 |
10 |
9505 |
289.6 |
0.7 |
0.723 |
7 |
4 |
0 |
0.000 |
7 |
8 |
|
A |
29 |
13 |
17124 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
26 |
10 |
16847 |
249.7 |
-0.1 |
0.675 |
2 |
2 |
0 |
0.000 |
8 |
9 |
|
D |
27 |
6 |
9505 |
◊ |
A |
x,y,z |
1_555 |
29 |
12 |
17124 |
235.7 |
1.0 |
0.733 |
3 |
1 |
0 |
0.005 |
10 |
|
B |
24 |
7 |
9555 |
◊ |
C |
x,y,z |
1_555 |
26 |
10 |
16847 |
215.8 |
0.8 |
0.706 |
4 |
2 |
0 |
0.005 |
Average: |
225.8 |
0.9 |
0.719 |
4 |
2 |
0 |
0.005 |
9 |
11 |
|
A |
27 |
6 |
17124 |
◊ |
C |
x-1,y,z |
1_455 |
25 |
6 |
16847 |
235.4 |
1.5 |
0.825 |
7 |
3 |
0 |
0.000 |
10 |
12 |
|
B |
23 |
9 |
9555 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
28 |
9 |
17124 |
214.1 |
1.8 |
0.846 |
2 |
0 |
0 |
0.000 |
11 |
13 |
|
A |
18 |
7 |
17124 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
24 |
6 |
9505 |
172.8 |
-2.4 |
0.359 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
A |
18 |
7 |
17124 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
15 |
6 |
16847 |
122.4 |
1.7 |
0.848 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
C |
11 |
3 |
16847 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
13 |
3 |
9555 |
107.5 |
-1.0 |
0.398 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
[PO4]A:500 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
18 |
12 |
17124 |
95.4 |
-5.9 |
0.726 |
6 |
0 |
0 |
0.116 |
17 |
|
[PO4]C:507 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
17 |
12 |
16847 |
95.3 |
-5.9 |
0.719 |
6 |
0 |
0 |
0.116 |
Average: |
95.3 |
-5.9 |
0.722 |
6 |
0 |
0 |
0.116 |
15 |
18 |
|
[FE]A:506 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
14 |
10 |
17124 |
54.0 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.130 |
19 |
|
[FE]C:513 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
14 |
10 |
16847 |
53.8 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.130 |
Average: |
53.9 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.130 |
16 |
20 |
|
[CA]D:511 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
9505 |
44.0 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.077 |
21 |
|
[CA]B:504 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
9555 |
43.3 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.077 |
Average: |
43.7 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.077 |
17 |
22 |
|
[CA]D:510 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
9505 |
43.6 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.076 |
23 |
|
[CA]B:503 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
9555 |
43.3 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.076 |
Average: |
43.5 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.076 |
18 |
24 |
|
[CA]B:501 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
6 |
9555 |
43.5 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.076 |
25 |
|
[CA]D:508 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
7 |
6 |
9505 |
43.3 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.076 |
Average: |
43.4 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.076 |
19 |
26 |
|
[CA]D:509 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
9505 |
43.5 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.076 |
27 |
|
[CA]B:502 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
9555 |
43.4 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.076 |
Average: |
43.4 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.076 |
20 |
28 |
|
[FE]C:513 |
1 |
1 |
137 |
f |
[PO4]C:507 |
x,y,z |
1_555 |
4 |
1 |
189 |
31.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.061 |
29 |
|
[FE]A:506 |
1 |
1 |
137 |
f |
[PO4]A:500 |
x,y,z |
1_555 |
4 |
1 |
189 |
31.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.061 |
Average: |
31.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.061 |
21 |
30 |
|
[ZN]A:505 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
17124 |
31.1 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.319 |
31 |
|
[ZN]C:512 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
6 |
16847 |
31.1 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.319 |
Average: |
31.1 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.319 |
22 |
32 |
|
[ZN]A:505 |
1 |
1 |
98 |
f |
[PO4]A:500 |
x,y,z |
1_555 |
4 |
1 |
189 |
22.4 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.132 |
33 |
|
[ZN]C:512 |
1 |
1 |
98 |
f |
[PO4]C:507 |
x,y,z |
1_555 |
4 |
1 |
189 |
22.1 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.132 |
Average: |
22.3 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.132 |
23 |
34 |
|
[FE]C:513 |
1 |
1 |
137 |
f |
[ZN]C:512 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.6 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.061 |
24 |
35 |
|
[FE]A:506 |
1 |
1 |
137 |
f |
[ZN]A:505 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.1 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.113 |
25 |
36 |
|
B |
5 |
2 |
9555 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
2 |
2 |
16847 |
7.3 |
0.2 |
0.740 |
0 |
0 |
0 |
0.000 |
26 |
37 |
|
B |
1 |
1 |
9555 |
◊ |
E |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
1586 |
5.0 |
-0.2 |
0.426 |
0 |
0 |
0 |
0.000 |
27 |
38 |
|
D |
1 |
1 |
9505 |
x |
D |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
9505 |
1.1 |
0.0 |
0.666 |
0 |
0 |
0 |
0.000 |
|