| ## |
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 |
95 |
24 |
11590 |
◊ |
A |
-x,-y+1,z |
4_565 |
94 |
24 |
11590 |
797.5 |
-2.7 |
0.511 |
20 |
4 |
0 |
0.008 |
| 2 |
2 |
|
C |
44 |
12 |
11544 |
x |
A |
x,y,z |
1_555 |
48 |
13 |
11590 |
454.5 |
-0.4 |
0.614 |
4 |
1 |
0 |
0.000 |
3 |
|
A |
45 |
12 |
11590 |
x |
C |
-y,x-y+1,z-2/3 |
2_564 |
44 |
12 |
11544 |
442.2 |
-0.8 |
0.554 |
6 |
2 |
0 |
0.000 |
4 |
|
B |
44 |
12 |
11416 |
x |
B |
x-y,x,z-1/3 |
6_554 |
43 |
13 |
11416 |
427.6 |
-1.5 |
0.491 |
5 |
1 |
0 |
0.000 |
| Average: |
441.5 |
-0.9 |
0.553 |
5 |
1 |
0 |
0.000 |
| 3 |
5 |
|
C |
32 |
13 |
11544 |
◊ |
B |
x,y,z |
1_555 |
33 |
11 |
11416 |
291.5 |
-0.6 |
0.394 |
2 |
0 |
0 |
0.000 |
| 4 |
6 |
|
A |
22 |
6 |
11590 |
x |
C |
x,y,z-1 |
1_554 |
23 |
8 |
11544 |
208.6 |
-0.2 |
0.599 |
5 |
2 |
0 |
0.000 |
7 |
|
A |
23 |
8 |
11590 |
x |
C |
-y,x-y+1,z+1/3 |
2_565 |
23 |
6 |
11544 |
206.1 |
0.2 |
0.652 |
2 |
2 |
0 |
0.000 |
8 |
|
B |
22 |
5 |
11416 |
x |
B |
x-y,x,z+2/3 |
6_555 |
21 |
7 |
11416 |
188.9 |
-0.2 |
0.587 |
2 |
1 |
0 |
0.000 |
| Average: |
201.2 |
-0.1 |
0.613 |
3 |
2 |
0 |
0.000 |
| 5 |
9 |
|
B |
11 |
5 |
11416 |
◊ |
C |
x,y,z-1 |
1_554 |
13 |
6 |
11544 |
114.1 |
0.2 |
0.618 |
1 |
2 |
0 |
0.000 |
| 6 |
10 |
|
[FE]B:321 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
11416 |
64.4 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.018 |
11 |
|
[FE]A:310 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
11590 |
64.2 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.018 |
12 |
|
[FE]C:330 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
11544 |
63.5 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.018 |
| Average: |
64.0 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.018 |
| 7 |
13 |
|
[FE]A:311 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
11590 |
56.0 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.016 |
14 |
|
[FE]B:320 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
11416 |
56.0 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.016 |
15 |
|
[FE]C:331 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
11544 |
55.8 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.016 |
| Average: |
55.9 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.016 |
| 8 |
16 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
11590 |
44.6 |
-33.7 |
0.000 |
0 |
0 |
0 |
0.048 |
17 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
11416 |
44.3 |
-31.7 |
0.000 |
0 |
0 |
0 |
0.048 |
18 |
|
[ZN]C:303 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
11544 |
43.7 |
-32.0 |
0.000 |
0 |
0 |
0 |
0.048 |
| Average: |
44.2 |
-32.5 |
0.000 |
0 |
0 |
0 |
0.048 |
| 9 |
19 |
|
[FE]B:321 |
1 |
1 |
137 |
f |
[FE]B:320 |
x,y,z |
1_555 |
1 |
1 |
137 |
25.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.007 |
| 10 |
20 |
|
[FE]A:311 |
1 |
1 |
137 |
f |
[FE]A:310 |
x,y,z |
1_555 |
1 |
1 |
137 |
25.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.007 |
| 11 |
21 |
|
[FE]C:331 |
1 |
1 |
137 |
f |
[FE]C:330 |
x,y,z |
1_555 |
1 |
1 |
137 |
25.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.007 |
| 12 |
22 |
|
[FE]B:320 |
1 |
1 |
137 |
f |
[ZN]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.0 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.010 |
| 13 |
23 |
|
[FE]C:331 |
1 |
1 |
137 |
f |
[ZN]C:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.0 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.010 |
| 14 |
24 |
|
[FE]A:311 |
1 |
1 |
137 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.009 |
| 15 |
25 |
|
A |
2 |
2 |
11590 |
x |
A |
x,y,z-1 |
1_554 |
2 |
2 |
11590 |
9.8 |
0.0 |
0.515 |
0 |
0 |
0 |
0.000 |
26 |
|
B |
1 |
1 |
11416 |
x |
B |
x,y,z-1 |
1_554 |
2 |
2 |
11416 |
8.2 |
0.3 |
0.669 |
0 |
0 |
0 |
0.000 |
| Average: |
9.0 |
0.2 |
0.592 |
0 |
0 |
0 |
0.000 |
| 16 |
27 |
|
[FE]C:330 |
1 |
1 |
137 |
f |
[ZN]C:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.003 |
| 17 |
28 |
|
[FE]B:321 |
1 |
1 |
137 |
f |
[ZN]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.003 |
| 18 |
29 |
|
[FE]A:310 |
1 |
1 |
137 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.002 |
|