## |
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 |
267 |
69 |
20281 |
◊ |
A |
-x+y+1,y,-z+1/2 |
11_655 |
266 |
69 |
20281 |
2618.9 |
-29.5 |
0.028 |
27 |
20 |
0 |
0.240 |
2 |
|
B |
260 |
71 |
20293 |
◊ |
B |
-x+2,-x+y+1,-z+5/3 |
9_766 |
261 |
72 |
20293 |
2516.6 |
-30.4 |
0.021 |
33 |
14 |
0 |
0.240 |
Average: |
2567.7 |
-30.0 |
0.025 |
30 |
17 |
0 |
0.240 |
2 |
3 |
|
[HEM]A:901 |
43 |
1 |
816 |
f |
A |
x,y,z |
1_555 |
89 |
26 |
20281 |
623.5 |
-22.3 |
0.244 |
2 |
0 |
0 |
0.248 |
4 |
|
[HEM]B:901 |
43 |
1 |
811 |
f |
B |
x,y,z |
1_555 |
89 |
26 |
20293 |
623.2 |
-22.0 |
0.272 |
2 |
0 |
0 |
0.248 |
Average: |
623.4 |
-22.2 |
0.258 |
2 |
0 |
0 |
0.248 |
3 |
5 |
|
B |
53 |
14 |
20293 |
◊ |
B |
-x+y+1,y,-z+3/2 |
11_656 |
51 |
14 |
20293 |
467.6 |
-3.6 |
0.390 |
4 |
0 |
0 |
0.000 |
6 |
|
A |
46 |
14 |
20281 |
◊ |
A |
-x+2,-x+y+1,-z+2/3 |
9_765 |
46 |
14 |
20281 |
445.0 |
-2.9 |
0.429 |
4 |
0 |
0 |
0.000 |
Average: |
456.3 |
-3.2 |
0.410 |
4 |
0 |
0 |
0.000 |
4 |
7 |
|
B |
31 |
11 |
20293 |
◊ |
A |
x,x-y,-z+7/6 |
12_556 |
34 |
9 |
20281 |
268.1 |
-3.7 |
0.235 |
1 |
0 |
0 |
0.000 |
5 |
8 |
|
B |
31 |
9 |
20293 |
◊ |
A |
x,y,z |
1_555 |
32 |
10 |
20281 |
265.0 |
-2.2 |
0.414 |
1 |
0 |
0 |
0.000 |
6 |
9 |
|
[H2B]A:902 |
17 |
1 |
398 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
20281 |
213.8 |
2.4 |
0.494 |
2 |
0 |
0 |
0.000 |
10 |
|
[H2B]B:902 |
17 |
1 |
399 |
f |
B |
x,y,z |
1_555 |
28 |
8 |
20293 |
210.7 |
2.0 |
0.461 |
2 |
0 |
0 |
0.000 |
Average: |
212.2 |
2.2 |
0.477 |
2 |
0 |
0 |
0.000 |
7 |
11 |
|
[H2B]B:902 |
14 |
1 |
399 |
◊ |
B |
-x+2,-x+y+1,-z+5/3 |
9_766 |
19 |
6 |
20293 |
120.4 |
0.1 |
0.251 |
1 |
0 |
0 |
0.006 |
12 |
|
[H2B]A:902 |
14 |
1 |
398 |
◊ |
A |
-x+y+1,y,-z+1/2 |
11_655 |
18 |
6 |
20281 |
116.6 |
-0.1 |
0.221 |
1 |
0 |
0 |
0.006 |
Average: |
118.5 |
-0.0 |
0.236 |
1 |
0 |
0 |
0.006 |
8 |
13 |
|
[SO4]B:905 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
20293 |
108.0 |
-15.7 |
0.860 |
4 |
0 |
0 |
0.178 |
9 |
14 |
|
[SO4]A:907 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
20281 |
106.6 |
-15.6 |
0.814 |
3 |
0 |
0 |
0.180 |
10 |
15 |
|
A |
9 |
5 |
20281 |
◊ |
B |
x,y,z-1 |
1_554 |
11 |
6 |
20293 |
81.9 |
2.4 |
0.911 |
3 |
0 |
0 |
0.000 |
11 |
16 |
|
[SO4]A:905 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
20281 |
78.4 |
-10.0 |
0.929 |
2 |
0 |
0 |
0.116 |
12 |
17 |
|
[SO4]B:906 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
20293 |
75.4 |
-10.1 |
0.865 |
2 |
0 |
0 |
0.112 |
13 |
18 |
|
[SO4]B:907 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
20293 |
74.7 |
-10.7 |
0.606 |
1 |
0 |
0 |
0.114 |
14 |
19 |
|
[SO4]A:904 |
4 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
20281 |
73.2 |
-10.9 |
0.737 |
1 |
0 |
0 |
0.121 |
15 |
20 |
|
[SO4]B:904 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
20293 |
61.7 |
-8.9 |
0.594 |
1 |
0 |
0 |
0.095 |
16 |
21 |
|
[SO4]A:906 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
20281 |
54.0 |
-7.2 |
0.642 |
1 |
0 |
0 |
0.082 |
17 |
22 |
|
[ZN]B:903 |
1 |
1 |
98 |
x |
B |
x,y,z |
1_555 |
5 |
3 |
20293 |
47.1 |
-29.9 |
0.000 |
0 |
0 |
0 |
0.244 |
23 |
|
[ZN]A:903 |
1 |
1 |
98 |
x |
A |
x,y,z |
1_555 |
5 |
3 |
20281 |
46.9 |
-30.3 |
0.000 |
0 |
0 |
0 |
0.244 |
Average: |
47.0 |
-30.1 |
0.000 |
0 |
0 |
0 |
0.244 |
18 |
24 |
|
[H2B]A:902 |
4 |
1 |
398 |
f |
[HEM]A:901 |
x,y,z |
1_555 |
5 |
1 |
816 |
43.9 |
-1.5 |
0.450 |
1 |
0 |
0 |
0.023 |
25 |
|
[H2B]B:902 |
4 |
1 |
399 |
f |
[HEM]B:901 |
x,y,z |
1_555 |
5 |
1 |
811 |
41.7 |
-1.4 |
0.458 |
2 |
0 |
0 |
0.023 |
Average: |
42.8 |
-1.4 |
0.454 |
2 |
0 |
0 |
0.023 |
19 |
26 |
|
A |
3 |
3 |
20281 |
◊ |
A |
x,x-y,-z+1/6 |
12_555 |
2 |
2 |
20281 |
32.9 |
-1.1 |
0.116 |
0 |
0 |
0 |
0.000 |
20 |
27 |
|
[SO4]B:906 |
1 |
1 |
188 |
◊ |
B |
-x+2,-x+y+1,-z+5/3 |
9_766 |
2 |
1 |
20293 |
3.5 |
-0.4 |
0.769 |
0 |
0 |
0 |
0.004 |
21 |
28 |
|
[SO4]B:907 |
1 |
1 |
189 |
f |
[SO4]B:906 |
x,y,z |
1_555 |
1 |
1 |
188 |
2.9 |
-0.7 |
1.000 |
0 |
0 |
0 |
0.007 |
22 |
29 |
|
[SO4]A:905 |
1 |
1 |
189 |
◊ |
A |
-x+y+1,y,-z+1/2 |
11_655 |
1 |
1 |
20281 |
2.5 |
-0.2 |
0.906 |
0 |
0 |
0 |
0.002 |
23 |
30 |
|
[SO4]A:905 |
1 |
1 |
189 |
f |
[SO4]A:904 |
x,y,z |
1_555 |
1 |
1 |
189 |
0.7 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.002 |
|