| ## |
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 |
342 |
87 |
20992 |
◊ |
A |
-x+y+1,y,-z+1/2 |
11_655 |
342 |
87 |
20992 |
3250.8 |
-42.8 |
0.017 |
55 |
18 |
1 |
0.592 |
2 |
|
B |
333 |
88 |
20758 |
◊ |
B |
-x+2,-x+y+1,-z+5/3 |
9_766 |
334 |
87 |
20758 |
3184.1 |
-41.4 |
0.017 |
49 |
10 |
1 |
0.592 |
| Average: |
3217.4 |
-42.1 |
0.017 |
52 |
14 |
1 |
0.592 |
| 2 |
3 |
|
[HEM]A:901 |
43 |
1 |
806 |
f |
A |
x,y,z |
1_555 |
90 |
26 |
20992 |
608.0 |
-21.2 |
0.362 |
1 |
0 |
0 |
0.381 |
4 |
|
[HEM]B:901 |
43 |
1 |
808 |
f |
B |
x,y,z |
1_555 |
90 |
25 |
20758 |
607.2 |
-21.2 |
0.353 |
2 |
0 |
0 |
0.381 |
| Average: |
607.6 |
-21.2 |
0.358 |
2 |
0 |
0 |
0.381 |
| 3 |
5 |
|
B |
50 |
13 |
20758 |
◊ |
B |
-x+y+1,y,-z+3/2 |
11_656 |
49 |
13 |
20758 |
460.9 |
-3.7 |
0.423 |
4 |
0 |
0 |
0.000 |
6 |
|
A |
49 |
13 |
20992 |
◊ |
A |
-x+2,-x+y+1,-z+2/3 |
9_765 |
50 |
13 |
20992 |
429.2 |
-4.7 |
0.343 |
4 |
0 |
0 |
0.000 |
| Average: |
445.1 |
-4.2 |
0.383 |
4 |
0 |
0 |
0.000 |
| 4 |
7 |
|
B |
33 |
10 |
20758 |
◊ |
A |
x,x-y,-z+7/6 |
12_556 |
31 |
9 |
20992 |
268.8 |
-2.8 |
0.388 |
2 |
0 |
0 |
0.000 |
| 5 |
8 |
|
[H4B]B:902 |
17 |
1 |
396 |
f |
B |
x,y,z |
1_555 |
33 |
11 |
20758 |
224.7 |
2.1 |
0.457 |
3 |
0 |
0 |
0.000 |
9 |
|
[H4B]A:902 |
17 |
1 |
398 |
f |
A |
x,y,z |
1_555 |
33 |
12 |
20992 |
217.3 |
2.2 |
0.457 |
3 |
0 |
0 |
0.000 |
| Average: |
221.0 |
2.1 |
0.457 |
3 |
0 |
0 |
0.000 |
| 6 |
10 |
|
B |
31 |
10 |
20758 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
20992 |
216.9 |
-2.3 |
0.433 |
0 |
0 |
0 |
0.000 |
| 7 |
11 |
|
[H4B]B:902 |
14 |
1 |
396 |
◊ |
B |
-x+2,-x+y+1,-z+5/3 |
9_766 |
20 |
5 |
20758 |
110.8 |
-0.1 |
0.247 |
1 |
0 |
0 |
0.009 |
12 |
|
[H4B]A:902 |
13 |
1 |
398 |
◊ |
A |
-x+y+1,y,-z+1/2 |
11_655 |
21 |
5 |
20992 |
110.8 |
-0.1 |
0.269 |
1 |
0 |
0 |
0.009 |
| Average: |
110.8 |
-0.1 |
0.258 |
1 |
0 |
0 |
0.009 |
| 8 |
13 |
|
[SO4]A:907 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
20992 |
78.4 |
-12.4 |
0.370 |
2 |
0 |
0 |
0.163 |
| 9 |
14 |
|
A |
10 |
6 |
20992 |
◊ |
B |
x,y,z-1 |
1_554 |
10 |
6 |
20758 |
70.3 |
2.2 |
0.907 |
2 |
0 |
0 |
0.000 |
| 10 |
15 |
|
[SO4]A:907 |
4 |
1 |
187 |
◊ |
A |
-x+y+1,y,-z+1/2 |
11_655 |
5 |
2 |
20992 |
51.2 |
-7.1 |
0.844 |
1 |
0 |
0 |
0.092 |
| 11 |
16 |
|
[H4B]A:902 |
3 |
1 |
398 |
f |
[HEM]A:901 |
x,y,z |
1_555 |
5 |
1 |
806 |
41.6 |
-1.3 |
0.463 |
2 |
0 |
0 |
0.031 |
17 |
|
[H4B]B:902 |
4 |
1 |
396 |
f |
[HEM]B:901 |
x,y,z |
1_555 |
5 |
1 |
808 |
39.3 |
-1.3 |
0.452 |
1 |
0 |
0 |
0.031 |
| Average: |
40.4 |
-1.3 |
0.458 |
2 |
0 |
0 |
0.031 |
| 12 |
18 |
|
A |
2 |
2 |
20992 |
◊ |
A |
x,x-y,-z+1/6 |
12_555 |
2 |
2 |
20992 |
30.1 |
-1.0 |
0.121 |
0 |
0 |
0 |
0.000 |
|