| ## |
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 |
251 |
70 |
20072 |
◊ |
A |
-x+y+1,y,-z+1/2 |
11_655 |
251 |
70 |
20072 |
2571.7 |
-30.1 |
0.028 |
35 |
16 |
0 |
0.347 |
2 |
|
B |
258 |
70 |
20047 |
◊ |
B |
-x+2,-x+y+1,-z+5/3 |
9_766 |
254 |
70 |
20047 |
2518.2 |
-31.1 |
0.025 |
32 |
14 |
0 |
0.347 |
| Average: |
2544.9 |
-30.6 |
0.026 |
34 |
15 |
0 |
0.347 |
| 2 |
3 |
|
[HEM]A:901 |
41 |
1 |
818 |
f |
A |
x,y,z |
1_555 |
80 |
25 |
20072 |
566.6 |
-19.8 |
0.273 |
1 |
0 |
0 |
0.291 |
4 |
|
[HEM]B:2901 |
42 |
1 |
814 |
f |
B |
x,y,z |
1_555 |
80 |
23 |
20047 |
552.9 |
-19.4 |
0.298 |
1 |
0 |
0 |
0.291 |
| Average: |
559.7 |
-19.6 |
0.286 |
1 |
0 |
0 |
0.291 |
| 3 |
5 |
|
B |
47 |
13 |
20047 |
◊ |
B |
-x+y+1,y,-z+3/2 |
11_656 |
47 |
13 |
20047 |
448.1 |
-2.8 |
0.466 |
2 |
0 |
0 |
0.000 |
6 |
|
A |
50 |
13 |
20072 |
◊ |
A |
-x+2,-x+y+1,-z+2/3 |
9_765 |
49 |
13 |
20072 |
446.6 |
-3.4 |
0.429 |
4 |
0 |
0 |
0.000 |
| Average: |
447.4 |
-3.1 |
0.448 |
3 |
0 |
0 |
0.000 |
| 4 |
7 |
|
B |
33 |
11 |
20047 |
◊ |
A |
x,x-y,-z+7/6 |
12_556 |
35 |
9 |
20072 |
279.3 |
-2.8 |
0.394 |
2 |
1 |
0 |
0.000 |
| 5 |
8 |
|
[H4B]A:902 |
17 |
1 |
389 |
f |
A |
x,y,z |
1_555 |
27 |
8 |
20072 |
204.0 |
2.2 |
0.464 |
3 |
0 |
0 |
0.000 |
9 |
|
[H4B]B:2902 |
17 |
1 |
391 |
f |
B |
x,y,z |
1_555 |
26 |
8 |
20047 |
202.6 |
2.0 |
0.440 |
3 |
0 |
0 |
0.000 |
| Average: |
203.3 |
2.1 |
0.452 |
3 |
0 |
0 |
0.000 |
| 6 |
10 |
|
[329]A:903 |
12 |
1 |
335 |
f |
A |
x,y,z |
1_555 |
28 |
11 |
20072 |
175.5 |
3.5 |
0.426 |
4 |
0 |
0 |
0.000 |
11 |
|
[329]B:2903 |
12 |
1 |
332 |
f |
B |
x,y,z |
1_555 |
29 |
11 |
20047 |
174.2 |
3.3 |
0.424 |
4 |
0 |
0 |
0.000 |
| Average: |
174.8 |
3.4 |
0.425 |
4 |
0 |
0 |
0.000 |
| 7 |
12 |
|
[H4B]B:2902 |
14 |
1 |
391 |
◊ |
B |
-x+2,-x+y+1,-z+5/3 |
9_766 |
19 |
6 |
20047 |
116.4 |
0.0 |
0.242 |
1 |
0 |
0 |
0.009 |
13 |
|
[H4B]A:902 |
14 |
1 |
389 |
◊ |
A |
-x+y+1,y,-z+1/2 |
11_655 |
21 |
6 |
20072 |
114.5 |
-0.2 |
0.232 |
1 |
0 |
0 |
0.009 |
| Average: |
115.4 |
-0.1 |
0.237 |
1 |
0 |
0 |
0.009 |
| 8 |
14 |
|
B |
17 |
5 |
20047 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
20072 |
114.2 |
-2.5 |
0.269 |
0 |
0 |
0 |
0.000 |
| 9 |
15 |
|
[329]B:2903 |
10 |
1 |
332 |
f |
[HEM]B:2901 |
x,y,z |
1_555 |
29 |
1 |
814 |
103.5 |
-1.0 |
0.325 |
0 |
0 |
0 |
0.015 |
16 |
|
[329]A:903 |
10 |
1 |
335 |
f |
[HEM]A:901 |
x,y,z |
1_555 |
31 |
1 |
818 |
103.0 |
-1.0 |
0.314 |
0 |
0 |
0 |
0.015 |
| Average: |
103.2 |
-1.0 |
0.319 |
0 |
0 |
0 |
0.015 |
| 10 |
17 |
|
[SO4]B:3004 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
20047 |
77.8 |
-10.8 |
0.885 |
4 |
0 |
0 |
0.184 |
| 11 |
18 |
|
[SO4]A:3004 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
20072 |
77.7 |
-11.2 |
0.842 |
5 |
0 |
0 |
0.193 |
| 12 |
19 |
|
[SO4]A:3003 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
20072 |
76.0 |
-8.9 |
0.948 |
2 |
0 |
0 |
0.141 |
| 13 |
20 |
|
[SO4]B:3003 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
20047 |
73.1 |
-8.1 |
0.959 |
4 |
0 |
0 |
0.144 |
| 14 |
21 |
|
A |
5 |
1 |
20072 |
◊ |
A |
x,x-y,-z+1/6 |
12_555 |
5 |
1 |
20072 |
44.4 |
0.4 |
0.762 |
0 |
0 |
0 |
0.000 |
| 15 |
22 |
|
[H4B]A:902 |
4 |
1 |
389 |
f |
[HEM]A:901 |
x,y,z |
1_555 |
5 |
1 |
818 |
42.2 |
-1.3 |
0.458 |
1 |
0 |
0 |
0.027 |
23 |
|
[H4B]B:2902 |
3 |
1 |
391 |
f |
[HEM]B:2901 |
x,y,z |
1_555 |
5 |
1 |
814 |
41.3 |
-1.4 |
0.442 |
1 |
0 |
0 |
0.027 |
| Average: |
41.8 |
-1.3 |
0.450 |
1 |
0 |
0 |
0.027 |
| 16 |
24 |
|
A |
4 |
3 |
20072 |
◊ |
B |
x,y,z-1 |
1_554 |
8 |
3 |
20047 |
37.1 |
0.7 |
0.784 |
0 |
0 |
0 |
0.000 |
| 17 |
25 |
|
[SO4]A:3004 |
1 |
1 |
185 |
f |
[SO4]A:3003 |
x,y,z |
1_555 |
3 |
1 |
187 |
6.5 |
-1.4 |
0.891 |
0 |
0 |
0 |
0.020 |
| 18 |
26 |
|
[SO4]B:3004 |
1 |
1 |
186 |
f |
[SO4]B:3003 |
x,y,z |
1_555 |
1 |
1 |
185 |
5.9 |
-1.4 |
0.800 |
0 |
0 |
0 |
0.021 |
|