| ## |
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 |
|
H |
119 |
32 |
9152 |
◊ |
B |
x,y,z |
1_555 |
125 |
32 |
9201 |
1248.4 |
-10.0 |
0.410 |
22 |
11 |
0 |
0.345 |
2 |
|
A |
118 |
31 |
9120 |
◊ |
C |
x-1/2,-y+1/2,-z-1 |
4_454 |
118 |
31 |
9042 |
1221.2 |
-10.5 |
0.311 |
21 |
11 |
0 |
0.345 |
| Average: |
1234.8 |
-10.2 |
0.360 |
22 |
11 |
0 |
0.345 |
| 2 |
3 |
|
H |
51 |
12 |
9152 |
◊ |
A |
x,y,z |
1_555 |
51 |
15 |
9120 |
483.9 |
-3.4 |
0.494 |
5 |
4 |
0 |
0.000 |
| 3 |
4 |
|
C |
47 |
13 |
9042 |
◊ |
A |
x,y,z |
1_555 |
54 |
13 |
9120 |
482.6 |
-4.3 |
0.385 |
5 |
0 |
0 |
0.000 |
| 4 |
5 |
|
H |
41 |
10 |
9152 |
◊ |
C |
x-1,y,z |
1_455 |
47 |
13 |
9042 |
350.9 |
-3.6 |
0.435 |
2 |
0 |
0 |
0.000 |
| 5 |
6 |
|
C |
48 |
14 |
9042 |
◊ |
B |
x,y,z |
1_555 |
40 |
10 |
9201 |
348.1 |
-2.0 |
0.487 |
3 |
0 |
0 |
0.000 |
| 6 |
7 |
|
B |
33 |
11 |
9201 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
28 |
8 |
9152 |
285.5 |
-5.5 |
0.153 |
1 |
1 |
0 |
0.000 |
| 7 |
8 |
|
B |
34 |
10 |
9201 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
26 |
5 |
9120 |
271.5 |
-3.2 |
0.376 |
2 |
0 |
0 |
0.000 |
| 8 |
9 |
|
B |
32 |
11 |
9201 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
24 |
5 |
9042 |
225.0 |
0.3 |
0.727 |
2 |
0 |
0 |
0.000 |
| 9 |
10 |
|
H |
15 |
5 |
9152 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
14 |
4 |
9042 |
96.9 |
0.1 |
0.679 |
0 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[FE]C:201 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
9042 |
79.9 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.389 |
12 |
|
[FE]A:202 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
16 |
10 |
9120 |
59.5 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.389 |
13 |
|
[FE]H:201 |
1 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
13 |
9 |
9152 |
58.0 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.389 |
14 |
|
[FE]B:201 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
13 |
10 |
9201 |
55.8 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.389 |
| Average: |
63.3 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.389 |
| 11 |
15 |
|
[FE]A:201 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
9120 |
58.1 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.280 |
16 |
|
[FE]H:202 |
1 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
9 |
7 |
9152 |
57.1 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.280 |
17 |
|
[FE]B:202 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
8 |
9201 |
55.1 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.280 |
| Average: |
56.8 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.280 |
| 12 |
18 |
|
[FE]B:202 |
1 |
1 |
137 |
f |
[FE]B:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
32.1 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.083 |
| 13 |
19 |
|
[FE]A:202 |
1 |
1 |
137 |
f |
[FE]A:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
28.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.092 |
| 14 |
20 |
|
[FE]H:202 |
1 |
1 |
137 |
f |
[FE]H:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
28.0 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.073 |
| 15 |
21 |
|
A |
3 |
2 |
9120 |
x |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
2 |
1 |
9120 |
8.0 |
-0.0 |
0.618 |
0 |
0 |
0 |
0.000 |
| 16 |
22 |
|
A |
4 |
2 |
9120 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
1 |
9042 |
6.4 |
-0.1 |
0.579 |
0 |
0 |
0 |
0.000 |
|