| ## |
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 |
86 |
21 |
12923 |
◊ |
A |
x,y,z |
1_555 |
87 |
21 |
12860 |
726.0 |
-0.4 |
0.621 |
22 |
14 |
0 |
0.116 |
| 2 |
2 |
|
A |
64 |
15 |
12860 |
◊ |
B |
-y,x-y,z-1/3 |
2_554 |
70 |
21 |
12923 |
604.8 |
-0.8 |
0.527 |
4 |
0 |
0 |
0.000 |
3 |
|
A |
70 |
21 |
12860 |
◊ |
B |
-y,x-y-1,z-1/3 |
2_544 |
63 |
14 |
12923 |
603.4 |
-0.8 |
0.535 |
4 |
0 |
0 |
0.000 |
| Average: |
604.1 |
-0.8 |
0.531 |
4 |
0 |
0 |
0.000 |
| 3 |
4 |
|
A |
25 |
8 |
12860 |
◊ |
B |
-y+1,x-y,z-1/3 |
2_654 |
25 |
8 |
12923 |
245.1 |
-1.0 |
0.492 |
4 |
0 |
0 |
0.000 |
| 4 |
5 |
|
B |
22 |
7 |
12923 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
4 |
12860 |
137.9 |
-0.2 |
0.583 |
1 |
0 |
0 |
0.000 |
6 |
|
A |
22 |
7 |
12860 |
◊ |
B |
x,y-1,z |
1_545 |
13 |
4 |
12923 |
137.3 |
-0.1 |
0.597 |
1 |
0 |
0 |
0.000 |
| Average: |
137.6 |
-0.1 |
0.590 |
1 |
0 |
0 |
0.000 |
| 5 |
7 |
|
A |
20 |
7 |
12860 |
x |
A |
x,y-1,z |
1_545 |
15 |
7 |
12860 |
135.9 |
-0.6 |
0.529 |
0 |
0 |
0 |
0.000 |
8 |
|
B |
19 |
6 |
12923 |
x |
B |
x-1,y,z |
1_455 |
16 |
7 |
12923 |
135.7 |
-0.6 |
0.520 |
0 |
0 |
0 |
0.000 |
| Average: |
135.8 |
-0.6 |
0.525 |
0 |
0 |
0 |
0.000 |
| 6 |
9 |
|
B |
11 |
3 |
12923 |
x |
B |
x,y-1,z |
1_545 |
10 |
4 |
12923 |
102.4 |
2.3 |
0.851 |
0 |
5 |
0 |
0.000 |
10 |
|
A |
11 |
3 |
12860 |
x |
A |
x-1,y,z |
1_455 |
9 |
4 |
12860 |
101.8 |
2.3 |
0.850 |
0 |
4 |
0 |
0.000 |
| Average: |
102.1 |
2.3 |
0.850 |
0 |
5 |
0 |
0.000 |
| 7 |
11 |
|
[EDO]B:1 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
12923 |
93.0 |
2.4 |
0.404 |
0 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[PO4]B:2 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
16 |
11 |
12923 |
88.3 |
-5.1 |
0.750 |
4 |
0 |
0 |
0.064 |
| 9 |
13 |
|
[PO4]A:1 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
19 |
12 |
12860 |
87.9 |
-5.7 |
0.646 |
4 |
0 |
0 |
0.070 |
| 10 |
14 |
|
A |
15 |
6 |
12860 |
f |
[CL]B:514 |
-y,x-y,z-1/3 |
2_554 |
1 |
1 |
125 |
71.5 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.090 |
| 11 |
15 |
|
[EDO]A:514 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
12923 |
70.8 |
2.2 |
0.471 |
0 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[EDO]A:514 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
12860 |
70.7 |
2.2 |
0.473 |
0 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[FE]B:602 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
12 |
9 |
12923 |
50.3 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.174 |
18 |
|
[FE]A:602 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
13 |
9 |
12860 |
49.9 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.174 |
| Average: |
50.1 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.174 |
| 14 |
19 |
|
[FE]B:601 |
1 |
1 |
137 |
cf |
B |
x,y,z |
1_555 |
10 |
8 |
12923 |
45.7 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.166 |
20 |
|
[FE]A:601 |
1 |
1 |
137 |
cf |
A |
x,y,z |
1_555 |
10 |
7 |
12860 |
45.4 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.166 |
| Average: |
45.6 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.166 |
| 15 |
21 |
|
[NA]A:515 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
12923 |
43.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.104 |
22 |
|
[NA]A:515 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
12860 |
43.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.104 |
| Average: |
43.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.104 |
| 16 |
23 |
|
[PO4]A:1 |
4 |
1 |
189 |
f |
[FE]A:602 |
x,y,z |
1_555 |
1 |
1 |
137 |
31.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.083 |
24 |
|
[PO4]B:2 |
4 |
1 |
188 |
f |
[FE]B:601 |
x,y,z |
1_555 |
1 |
1 |
137 |
29.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.083 |
| Average: |
30.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.083 |
| 17 |
25 |
|
[PO4]B:2 |
4 |
1 |
188 |
f |
[FE]B:602 |
x,y,z |
1_555 |
1 |
1 |
137 |
30.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.043 |
| 18 |
26 |
|
[PO4]A:1 |
4 |
1 |
189 |
f |
[FE]A:601 |
x,y,z |
1_555 |
1 |
1 |
137 |
30.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.041 |
| 19 |
27 |
|
B |
4 |
3 |
12923 |
x |
B |
x-1,y-1,z |
1_445 |
6 |
4 |
12923 |
26.2 |
-0.3 |
0.505 |
0 |
0 |
0 |
0.000 |
28 |
|
A |
4 |
3 |
12860 |
x |
A |
x-1,y-1,z |
1_445 |
6 |
4 |
12860 |
25.1 |
-0.2 |
0.522 |
0 |
0 |
0 |
0.000 |
| Average: |
25.6 |
-0.3 |
0.513 |
0 |
0 |
0 |
0.000 |
| 20 |
29 |
|
B |
3 |
1 |
12923 |
f |
[EDO]B:1 |
x-1,y,z |
1_455 |
3 |
1 |
185 |
23.5 |
0.6 |
0.908 |
1 |
0 |
0 |
0.000 |
| 21 |
30 |
|
[FE]B:602 |
1 |
1 |
137 |
f |
[FE]B:601 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.043 |
| 22 |
31 |
|
[FE]A:602 |
1 |
1 |
137 |
f |
[FE]A:601 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.042 |
| 23 |
32 |
|
[NA]A:515 |
1 |
1 |
125 |
f |
[EDO]A:514 |
x,y,z |
1_555 |
2 |
1 |
185 |
9.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.100 |
|