| ## |
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 |
74 |
20 |
9305 |
◊ |
A |
x,y,z |
1_555 |
70 |
20 |
9625 |
718.9 |
-13.3 |
0.019 |
8 |
0 |
0 |
0.190 |
| 2 |
2 |
|
A |
55 |
15 |
9625 |
◊ |
A |
x,-y,-z |
4_555 |
55 |
15 |
9625 |
571.6 |
-3.2 |
0.451 |
4 |
0 |
0 |
0.000 |
| 3 |
3 |
|
B |
48 |
17 |
9305 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
50 |
17 |
9305 |
464.9 |
-3.3 |
0.401 |
4 |
0 |
0 |
0.000 |
| 4 |
4 |
|
B |
52 |
14 |
9305 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
50 |
17 |
9625 |
439.0 |
2.0 |
0.749 |
6 |
1 |
0 |
0.000 |
| 5 |
5 |
|
[DGI]B:500 |
27 |
1 |
562 |
f |
B |
x,y,z |
1_555 |
49 |
22 |
9305 |
363.1 |
-7.4 |
0.199 |
10 |
0 |
0 |
0.133 |
| 6 |
6 |
|
[PG4]A:503 |
10 |
1 |
337 |
◊ |
A |
x,y,z |
1_555 |
19 |
8 |
9625 |
183.4 |
5.0 |
0.347 |
2 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[PG4]B:502 |
8 |
1 |
300 |
f |
B |
x,y,z |
1_555 |
26 |
9 |
9305 |
175.5 |
5.3 |
0.372 |
1 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[PG4]A:506 |
10 |
1 |
336 |
f |
A |
x,y,z |
1_555 |
25 |
6 |
9625 |
151.3 |
2.8 |
0.181 |
0 |
0 |
0 |
0.000 |
| 9 |
9 |
|
B |
18 |
6 |
9305 |
◊ |
[PG4]A:502 |
x-1/2,-y+1/2,-z |
8_455 |
10 |
1 |
336 |
136.8 |
4.6 |
0.303 |
3 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[PG4]A:502 |
10 |
1 |
336 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
9625 |
133.8 |
3.0 |
0.184 |
0 |
0 |
0 |
0.000 |
| 11 |
11 |
|
B |
13 |
5 |
9305 |
◊ |
A |
-x+3/2,-y+1/2,z-1/2 |
6_654 |
10 |
5 |
9625 |
121.2 |
-2.1 |
0.193 |
0 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[PG4]A:504 |
10 |
1 |
341 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
9625 |
119.9 |
2.7 |
0.116 |
0 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[PG4]B:501 |
6 |
1 |
259 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
9305 |
96.1 |
2.2 |
0.096 |
0 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[PO4]A:500 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
9625 |
95.2 |
-5.6 |
0.729 |
8 |
0 |
0 |
0.104 |
| 15 |
15 |
|
[PG4]A:505 |
10 |
1 |
337 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
9625 |
95.2 |
1.3 |
0.062 |
2 |
0 |
0 |
0.000 |
| 16 |
16 |
|
A |
13 |
3 |
9625 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
13 |
3 |
9625 |
86.6 |
0.2 |
0.680 |
0 |
0 |
0 |
0.000 |
| 17 |
17 |
|
[NO3]B:402 |
4 |
1 |
167 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
9305 |
75.7 |
1.3 |
0.629 |
3 |
0 |
0 |
0.000 |
| 18 |
18 |
|
B |
8 |
2 |
9305 |
◊ |
[PG4]A:504 |
x-1/2,-y+1/2,-z |
8_455 |
6 |
1 |
341 |
62.9 |
2.1 |
0.241 |
0 |
0 |
0 |
0.000 |
| 19 |
19 |
|
B |
11 |
3 |
9305 |
◊ |
[PG4]A:505 |
x-1/2,-y+1/2,-z |
8_455 |
5 |
1 |
337 |
58.0 |
1.9 |
0.320 |
0 |
0 |
0 |
0.000 |
| 20 |
20 |
|
[NO3]B:402 |
4 |
1 |
167 |
f |
A |
x-1/2,-y+1/2,-z |
8_455 |
10 |
3 |
9625 |
56.9 |
0.3 |
0.368 |
3 |
0 |
0 |
0.012 |
| 21 |
21 |
|
[FE]A:401 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
9625 |
56.0 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.220 |
22 |
|
[FE]B:400 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
9305 |
48.0 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.220 |
| Average: |
52.0 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.220 |
| 22 |
23 |
|
[FE]A:400 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
9625 |
50.1 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.217 |
24 |
|
[FE]B:401 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
9305 |
47.0 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.217 |
| Average: |
48.5 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.217 |
| 23 |
25 |
|
A |
7 |
3 |
9625 |
◊ |
B |
-x+3/2,-y+1/2,z-1/2 |
6_654 |
3 |
1 |
9305 |
48.1 |
0.9 |
0.824 |
0 |
0 |
0 |
0.000 |
| 24 |
26 |
|
B |
7 |
4 |
9305 |
f |
[PG4]A:503 |
-x+3/2,-y+1/2,z-1/2 |
6_654 |
3 |
1 |
337 |
44.1 |
0.7 |
0.335 |
0 |
0 |
0 |
0.000 |
| 25 |
27 |
|
[DGI]B:500 |
6 |
1 |
562 |
f |
[FE]B:400 |
x,y,z |
1_555 |
1 |
1 |
137 |
41.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.068 |
| 26 |
28 |
|
[PG4]A:504 |
4 |
1 |
341 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
9305 |
37.1 |
0.7 |
0.208 |
0 |
0 |
0 |
0.000 |
| 27 |
29 |
|
[PG4]A:506 |
5 |
1 |
336 |
f |
[PG4]A:502 |
x,y,z |
1_555 |
3 |
1 |
336 |
35.0 |
0.8 |
0.067 |
0 |
0 |
0 |
0.000 |
| 28 |
30 |
|
[DGI]B:500 |
6 |
1 |
562 |
f |
[FE]B:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
34.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.054 |
| 29 |
31 |
|
[PG4]A:505 |
3 |
1 |
337 |
f |
[PG4]A:504 |
x,y,z |
1_555 |
4 |
1 |
341 |
32.9 |
0.6 |
0.064 |
0 |
0 |
0 |
0.000 |
| 30 |
32 |
|
[PO4]A:500 |
4 |
1 |
189 |
f |
[FE]A:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
29.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.048 |
| 31 |
33 |
|
[PO4]A:500 |
3 |
1 |
189 |
f |
[FE]A:400 |
x,y,z |
1_555 |
1 |
1 |
137 |
29.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.047 |
| 32 |
34 |
|
[FE]A:401 |
1 |
1 |
137 |
f |
[FE]A:400 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.047 |
| 33 |
35 |
|
[PG4]B:501 |
4 |
1 |
259 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
4 |
2 |
9625 |
19.9 |
0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 34 |
36 |
|
[FE]B:401 |
1 |
1 |
137 |
f |
[FE]B:400 |
x,y,z |
1_555 |
1 |
1 |
137 |
19.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.045 |
| 35 |
37 |
|
[PG4]B:501 |
1 |
1 |
259 |
f |
B |
-x+1,y,-z+1/2 |
3_655 |
3 |
1 |
9305 |
14.2 |
-0.0 |
0.234 |
0 |
0 |
0 |
0.000 |
| 36 |
38 |
|
[DGI]B:500 |
1 |
1 |
562 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
1 |
1 |
9305 |
13.8 |
-0.2 |
0.470 |
0 |
0 |
0 |
0.000 |
| 37 |
39 |
|
B |
1 |
1 |
9305 |
x |
B |
x-1/2,-y+1/2,-z |
8_455 |
3 |
1 |
9305 |
10.4 |
0.3 |
0.802 |
0 |
0 |
0 |
0.000 |
| 38 |
40 |
|
B |
1 |
1 |
9305 |
◊ |
[PO4]A:500 |
x-1/2,-y+1/2,-z |
8_455 |
1 |
1 |
189 |
3.8 |
-0.1 |
0.792 |
0 |
0 |
0 |
0.000 |
|