## |
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 |
272 |
70 |
20187 |
◊ |
A |
x,y,z |
1_555 |
274 |
71 |
20263 |
2651.3 |
-40.1 |
0.005 |
38 |
8 |
0 |
0.504 |
2 |
2 |
|
[HEM]A:750 |
42 |
1 |
817 |
f |
A |
x,y,z |
1_555 |
78 |
24 |
20263 |
542.5 |
-18.6 |
0.286 |
1 |
0 |
0 |
0.329 |
3 |
|
[HEM]B:750 |
43 |
1 |
819 |
f |
B |
x,y,z |
1_555 |
76 |
24 |
20187 |
538.3 |
-18.5 |
0.275 |
1 |
0 |
0 |
0.329 |
Average: |
540.4 |
-18.6 |
0.281 |
1 |
0 |
0 |
0.329 |
3 |
4 |
|
A |
52 |
14 |
20263 |
x |
A |
x-1,y,z |
1_455 |
45 |
14 |
20263 |
410.0 |
-0.2 |
0.707 |
2 |
0 |
0 |
0.000 |
4 |
5 |
|
[OLW]B:800 |
23 |
1 |
545 |
f |
B |
x,y,z |
1_555 |
45 |
17 |
20187 |
310.5 |
-1.9 |
0.342 |
0 |
0 |
0 |
0.038 |
6 |
|
[OLW]A:800 |
23 |
1 |
544 |
f |
A |
x,y,z |
1_555 |
45 |
17 |
20263 |
307.7 |
-2.5 |
0.295 |
0 |
0 |
0 |
0.038 |
Average: |
309.1 |
-2.2 |
0.318 |
0 |
0 |
0 |
0.038 |
5 |
7 |
|
[H4B]A:760 |
17 |
1 |
398 |
f |
A |
x,y,z |
1_555 |
29 |
9 |
20263 |
196.7 |
2.1 |
0.505 |
2 |
0 |
0 |
0.000 |
8 |
|
[H4B]B:760 |
17 |
1 |
399 |
f |
B |
x,y,z |
1_555 |
29 |
9 |
20187 |
196.1 |
2.1 |
0.482 |
2 |
0 |
0 |
0.000 |
Average: |
196.4 |
2.1 |
0.494 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
[OLW]A:800 |
15 |
1 |
544 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
27 |
1 |
817 |
140.8 |
-5.4 |
0.542 |
1 |
0 |
0 |
0.104 |
10 |
|
[OLW]B:800 |
18 |
1 |
545 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
28 |
1 |
819 |
139.9 |
-5.3 |
0.556 |
2 |
0 |
0 |
0.104 |
Average: |
140.4 |
-5.3 |
0.549 |
2 |
0 |
0 |
0.104 |
7 |
11 |
|
[H4B]A:760 |
14 |
1 |
398 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20187 |
117.6 |
-0.1 |
0.272 |
1 |
0 |
0 |
0.009 |
12 |
|
[H4B]B:760 |
14 |
1 |
399 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
20263 |
116.0 |
-0.1 |
0.258 |
1 |
0 |
0 |
0.009 |
Average: |
116.8 |
-0.1 |
0.265 |
1 |
0 |
0 |
0.009 |
8 |
13 |
|
[H4B]A:760 |
5 |
1 |
398 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
817 |
41.5 |
-1.3 |
0.424 |
2 |
0 |
0 |
0.035 |
14 |
|
[H4B]B:760 |
5 |
1 |
399 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
819 |
41.3 |
-1.4 |
0.403 |
1 |
0 |
0 |
0.035 |
Average: |
41.4 |
-1.3 |
0.414 |
2 |
0 |
0 |
0.035 |
9 |
15 |
|
B |
6 |
3 |
20187 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
20263 |
34.9 |
0.1 |
0.662 |
0 |
0 |
0 |
0.000 |
10 |
16 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20263 |
34.4 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.260 |
17 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20187 |
33.8 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.260 |
Average: |
34.1 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.260 |
11 |
18 |
|
[OLW]B:800 |
2 |
1 |
545 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
4 |
1 |
399 |
20.7 |
-0.1 |
0.252 |
0 |
0 |
0 |
0.002 |
19 |
|
[OLW]A:800 |
2 |
1 |
544 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
3 |
1 |
398 |
19.1 |
-0.2 |
0.271 |
0 |
0 |
0 |
0.002 |
Average: |
19.9 |
-0.1 |
0.262 |
0 |
0 |
0 |
0.002 |
12 |
20 |
|
[OLW]A:800 |
1 |
1 |
544 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20187 |
3.7 |
0.0 |
0.600 |
0 |
0 |
0 |
0.000 |
21 |
|
[OLW]B:800 |
1 |
1 |
545 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
20263 |
3.6 |
0.0 |
0.626 |
0 |
0 |
0 |
0.000 |
Average: |
3.6 |
0.0 |
0.613 |
0 |
0 |
0 |
0.000 |
|