## |
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 |
|
[HEM]B:139 |
43 |
1 |
806 |
f |
B |
x,y,z |
1_555 |
76 |
23 |
7412 |
598.4 |
-19.7 |
0.337 |
2 |
0 |
0 |
0.047 |
2 |
|
[HEM]A:139 |
43 |
1 |
810 |
f |
A |
x,y,z |
1_555 |
77 |
24 |
7340 |
576.9 |
-18.4 |
0.431 |
2 |
0 |
0 |
0.047 |
Average: |
587.6 |
-19.0 |
0.384 |
2 |
0 |
0 |
0.047 |
2 |
3 |
|
A |
49 |
13 |
7340 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
54 |
15 |
7412 |
459.8 |
1.8 |
0.737 |
2 |
3 |
0 |
0.000 |
3 |
4 |
|
A |
28 |
8 |
7340 |
◊ |
B |
-x-1/2,-y+1,z-1/2 |
2_464 |
37 |
13 |
7412 |
279.4 |
-2.5 |
0.324 |
2 |
0 |
0 |
0.000 |
5 |
|
A |
35 |
12 |
7340 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
29 |
8 |
7412 |
277.6 |
-2.4 |
0.345 |
2 |
0 |
0 |
0.000 |
Average: |
278.5 |
-2.4 |
0.335 |
2 |
0 |
0 |
0.000 |
4 |
6 |
|
B |
27 |
8 |
7412 |
◊ |
A |
x,y,z |
1_555 |
26 |
8 |
7340 |
259.1 |
-2.1 |
0.337 |
4 |
5 |
0 |
0.000 |
5 |
7 |
|
A |
22 |
9 |
7340 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
21 |
8 |
7412 |
213.9 |
-1.0 |
0.465 |
2 |
0 |
0 |
0.000 |
8 |
|
A |
16 |
5 |
7340 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
17 |
8 |
7412 |
175.8 |
-0.3 |
0.480 |
3 |
0 |
0 |
0.000 |
Average: |
194.8 |
-0.6 |
0.472 |
3 |
0 |
0 |
0.000 |
6 |
9 |
|
B |
22 |
7 |
7412 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
22 |
6 |
7412 |
201.3 |
-1.0 |
0.436 |
5 |
0 |
0 |
0.000 |
7 |
10 |
|
A |
20 |
5 |
7340 |
x |
A |
-x-1/2,-y,z-1/2 |
2_454 |
16 |
5 |
7340 |
166.6 |
-1.5 |
0.371 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
B |
9 |
4 |
7412 |
x |
B |
-x-1/2,-y+1,z-1/2 |
2_464 |
9 |
2 |
7412 |
94.6 |
1.5 |
0.828 |
2 |
1 |
0 |
0.000 |
12 |
|
A |
12 |
2 |
7340 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
12 |
5 |
7340 |
87.0 |
-0.4 |
0.511 |
1 |
0 |
0 |
0.000 |
Average: |
90.8 |
0.6 |
0.670 |
2 |
1 |
0 |
0.000 |
9 |
13 |
|
B |
7 |
2 |
7412 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
6 |
2 |
7340 |
76.6 |
2.0 |
0.897 |
4 |
6 |
0 |
0.000 |
10 |
14 |
|
[SO4]A:196 |
4 |
1 |
185 |
f |
B |
-x,y-1/2,-z-1/2 |
3_544 |
11 |
6 |
7412 |
72.0 |
-11.1 |
0.613 |
2 |
0 |
0 |
0.024 |
11 |
15 |
|
[SO4]A:195 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
7340 |
71.1 |
-11.1 |
0.636 |
2 |
0 |
0 |
0.030 |
12 |
16 |
|
[SO4]A:195 |
5 |
1 |
183 |
◊ |
B |
-x-1/2,-y+1,z-1/2 |
2_464 |
12 |
5 |
7412 |
71.1 |
-9.9 |
0.772 |
2 |
0 |
0 |
0.000 |
13 |
17 |
|
[SO4]A:196 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
7340 |
70.8 |
-10.1 |
0.738 |
2 |
0 |
0 |
0.000 |
14 |
18 |
|
[SO4]B:198 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
7412 |
62.0 |
-7.8 |
0.738 |
1 |
0 |
0 |
0.016 |
15 |
19 |
|
B |
5 |
3 |
7412 |
f |
[SO4]A:197 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
185 |
53.3 |
-6.4 |
0.897 |
1 |
0 |
0 |
0.014 |
16 |
20 |
|
[SO4]A:199 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
7340 |
51.9 |
-6.1 |
0.795 |
0 |
0 |
0 |
0.015 |
17 |
21 |
|
[OXY]A:186 |
2 |
1 |
119 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
7340 |
51.8 |
0.8 |
0.725 |
1 |
0 |
0 |
0.000 |
18 |
22 |
|
[SO4]A:197 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
7340 |
50.4 |
-5.8 |
0.894 |
1 |
0 |
0 |
0.000 |
19 |
23 |
|
A |
3 |
1 |
7340 |
◊ |
[SO4]B:198 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
184 |
37.5 |
-3.5 |
0.934 |
1 |
0 |
0 |
0.000 |
20 |
24 |
|
[OXY]A:186 |
2 |
1 |
119 |
f |
[HEM]A:139 |
x,y,z |
1_555 |
18 |
1 |
810 |
35.2 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.001 |
21 |
25 |
|
[SO4]A:199 |
1 |
1 |
185 |
f |
[HEM]A:139 |
x,y,z |
1_555 |
3 |
1 |
810 |
18.1 |
-3.1 |
0.709 |
0 |
0 |
0 |
0.008 |
22 |
26 |
|
[SO4]B:198 |
4 |
1 |
184 |
f |
[HEM]B:139 |
x,y,z |
1_555 |
3 |
1 |
806 |
17.0 |
-2.5 |
0.781 |
0 |
0 |
0 |
0.005 |
23 |
27 |
|
[SO4]A:199 |
2 |
1 |
185 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
7412 |
16.6 |
-2.1 |
0.754 |
0 |
0 |
0 |
0.000 |
|