| ## |
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 |
261 |
70 |
19765 |
◊ |
A |
-y+1,-x+1,-z+5/6 |
10_665 |
257 |
69 |
19765 |
2617.0 |
-30.4 |
0.038 |
24 |
14 |
0 |
0.526 |
2 |
|
B |
257 |
69 |
19830 |
◊ |
B |
-x,-x+y,-z-1/3 |
9_554 |
255 |
69 |
19830 |
2592.2 |
-26.4 |
0.072 |
32 |
16 |
0 |
0.526 |
| Average: |
2604.6 |
-28.4 |
0.055 |
28 |
15 |
0 |
0.526 |
| 2 |
3 |
|
[HEM]A:900 |
43 |
1 |
817 |
f |
A |
x,y,z |
1_555 |
81 |
24 |
19765 |
561.4 |
-19.4 |
0.288 |
1 |
0 |
0 |
0.484 |
4 |
|
[HEM]B:900 |
42 |
1 |
811 |
f |
B |
x,y,z |
1_555 |
82 |
24 |
19830 |
551.5 |
-19.1 |
0.276 |
1 |
0 |
0 |
0.484 |
| Average: |
556.5 |
-19.3 |
0.282 |
1 |
0 |
0 |
0.484 |
| 3 |
5 |
|
B |
50 |
14 |
19830 |
◊ |
B |
-y+1,-x+1,-z-1/6 |
10_664 |
49 |
14 |
19830 |
458.6 |
-2.7 |
0.497 |
6 |
0 |
0 |
0.000 |
6 |
|
A |
50 |
13 |
19765 |
◊ |
A |
-x,-x+y,-z+2/3 |
9_555 |
49 |
13 |
19765 |
431.1 |
-2.8 |
0.509 |
4 |
0 |
0 |
0.000 |
| Average: |
444.8 |
-2.7 |
0.503 |
5 |
0 |
0 |
0.000 |
| 4 |
7 |
|
B |
30 |
11 |
19830 |
◊ |
A |
x,x-y+1,-z+1/6 |
12_565 |
35 |
9 |
19765 |
260.6 |
-2.7 |
0.366 |
1 |
0 |
0 |
0.000 |
| 5 |
8 |
|
[H4B]B:903 |
17 |
1 |
400 |
f |
B |
x,y,z |
1_555 |
30 |
9 |
19830 |
207.9 |
2.1 |
0.461 |
2 |
0 |
0 |
0.000 |
9 |
|
[H4B]A:901 |
17 |
1 |
400 |
f |
A |
x,y,z |
1_555 |
29 |
9 |
19765 |
201.6 |
2.2 |
0.473 |
2 |
0 |
0 |
0.000 |
| Average: |
204.8 |
2.1 |
0.467 |
2 |
0 |
0 |
0.000 |
| 6 |
10 |
|
[14W]A:902 |
13 |
1 |
381 |
f |
A |
x,y,z |
1_555 |
32 |
15 |
19765 |
201.3 |
4.4 |
0.313 |
3 |
0 |
0 |
0.000 |
| 7 |
11 |
|
[14W]B:904 |
13 |
1 |
377 |
f |
B |
x,y,z |
1_555 |
31 |
15 |
19830 |
198.7 |
4.1 |
0.299 |
3 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[14W]A:902 |
11 |
1 |
381 |
f |
[HEM]A:900 |
x,y,z |
1_555 |
29 |
1 |
817 |
129.9 |
-0.8 |
0.221 |
1 |
0 |
0 |
0.030 |
| 9 |
13 |
|
[14W]B:904 |
12 |
1 |
377 |
f |
[HEM]B:900 |
x,y,z |
1_555 |
29 |
1 |
811 |
127.9 |
-0.5 |
0.203 |
2 |
0 |
0 |
0.033 |
| 10 |
14 |
|
[H4B]A:901 |
13 |
1 |
400 |
◊ |
A |
-y+1,-x+1,-z+5/6 |
10_665 |
20 |
6 |
19765 |
119.5 |
-0.0 |
0.254 |
1 |
0 |
0 |
0.013 |
15 |
|
[H4B]B:903 |
13 |
1 |
400 |
◊ |
B |
-x,-x+y,-z-1/3 |
9_554 |
22 |
6 |
19830 |
118.8 |
-0.1 |
0.263 |
1 |
0 |
0 |
0.013 |
| Average: |
119.2 |
-0.1 |
0.259 |
1 |
0 |
0 |
0.013 |
| 11 |
16 |
|
B |
17 |
7 |
19830 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
19765 |
112.6 |
-1.2 |
0.478 |
0 |
0 |
0 |
0.000 |
| 12 |
17 |
|
[ZN]B:950 |
1 |
1 |
98 |
x |
B |
x,y,z |
1_555 |
6 |
4 |
19830 |
45.2 |
-27.5 |
0.000 |
0 |
0 |
0 |
0.572 |
18 |
|
[ZN]A:950 |
1 |
1 |
98 |
x |
A |
x,y,z |
1_555 |
5 |
3 |
19765 |
41.0 |
-24.8 |
0.000 |
0 |
0 |
0 |
0.572 |
| Average: |
43.1 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.572 |
| 13 |
19 |
|
[H4B]A:901 |
5 |
1 |
400 |
f |
[HEM]A:900 |
x,y,z |
1_555 |
5 |
1 |
817 |
43.3 |
-1.3 |
0.422 |
2 |
0 |
0 |
0.055 |
20 |
|
[H4B]B:903 |
4 |
1 |
400 |
f |
[HEM]B:900 |
x,y,z |
1_555 |
5 |
1 |
811 |
42.9 |
-1.4 |
0.451 |
2 |
0 |
0 |
0.055 |
| Average: |
43.1 |
-1.3 |
0.436 |
2 |
0 |
0 |
0.055 |
| 14 |
21 |
|
[ZN]A:950 |
1 |
1 |
98 |
f |
[ZN]A:950 |
-y+1,-x+1,-z+5/6 |
10_665 |
1 |
1 |
98 |
37.9 |
-30.4 |
0.000 |
0 |
0 |
0 |
0.144 |
| 15 |
22 |
|
A |
1 |
1 |
19765 |
◊ |
A |
x,x-y+1,-z+7/6 |
12_566 |
1 |
1 |
19765 |
1.1 |
-0.0 |
0.511 |
0 |
0 |
0 |
0.000 |
| 16 |
23 |
|
[14W]B:904 |
1 |
1 |
377 |
f |
[H4B]B:903 |
x,y,z |
1_555 |
1 |
1 |
400 |
0.6 |
0.0 |
0.190 |
0 |
0 |
0 |
0.000 |
|