## |
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]A:201 |
43 |
1 |
837 |
cf |
A |
x,y,z |
1_555 |
76 |
33 |
6104 |
594.8 |
-25.9 |
0.198 |
8 |
0 |
0 |
0.050 |
2 |
|
[HEM]B:201 |
43 |
1 |
830 |
cf |
B |
x,y,z |
1_555 |
78 |
33 |
6302 |
563.0 |
-24.3 |
0.223 |
8 |
0 |
0 |
0.050 |
Average: |
578.9 |
-25.1 |
0.211 |
8 |
0 |
0 |
0.050 |
2 |
3 |
|
A |
56 |
17 |
6104 |
◊ |
A |
-x+1/4,z-1/4,y+1/4 |
18_545 |
55 |
18 |
6104 |
500.4 |
-2.9 |
0.531 |
6 |
4 |
0 |
0.000 |
3 |
4 |
|
B |
54 |
14 |
6302 |
◊ |
B |
y+1/4,x-1/4,-z-1/4 |
37_544 |
53 |
14 |
6302 |
491.0 |
3.7 |
0.890 |
8 |
6 |
0 |
0.000 |
5 |
|
A |
50 |
14 |
6104 |
◊ |
A |
-y+1/4,-x+1/4,-z+1/4 |
38_555 |
48 |
14 |
6104 |
461.8 |
4.2 |
0.906 |
10 |
6 |
0 |
0.000 |
Average: |
476.4 |
3.9 |
0.898 |
9 |
6 |
0 |
0.000 |
4 |
6 |
|
B |
25 |
8 |
6302 |
◊ |
A |
x,y,z |
1_555 |
29 |
11 |
6104 |
290.6 |
-3.6 |
0.232 |
2 |
0 |
0 |
0.000 |
5 |
7 |
|
B |
28 |
10 |
6302 |
x |
B |
z,x,y |
5_555 |
27 |
10 |
6302 |
251.8 |
-0.3 |
0.637 |
3 |
0 |
0 |
0.000 |
6 |
8 |
|
[B4X]B:203 |
21 |
1 |
882 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
6302 |
197.6 |
1.7 |
0.694 |
6 |
0 |
0 |
0.002 |
7 |
9 |
|
[B4X]B:204 |
24 |
1 |
869 |
◊ |
A |
-x+1/2,y,-z |
27_555 |
22 |
5 |
6104 |
189.5 |
-1.3 |
0.425 |
4 |
0 |
0 |
0.000 |
8 |
10 |
|
[B4X]B:203 |
33 |
1 |
882 |
f |
[B4X]B:202 |
x,y,z |
1_555 |
13 |
1 |
448 |
179.1 |
-1.9 |
0.597 |
0 |
0 |
0 |
0.003 |
9 |
11 |
|
[B4X]B:203 |
17 |
1 |
882 |
◊ |
A |
x,y,z |
1_555 |
18 |
5 |
6104 |
151.2 |
0.1 |
0.491 |
2 |
0 |
0 |
0.000 |
10 |
12 |
|
A |
18 |
4 |
6104 |
f |
[B4X]B:204 |
-y+1/4,x-1/4,z+1/4 |
16_545 |
13 |
1 |
869 |
115.9 |
-3.0 |
0.252 |
1 |
0 |
0 |
0.006 |
11 |
13 |
|
[B4X]B:204 |
15 |
1 |
869 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
6302 |
114.3 |
-0.6 |
0.410 |
1 |
0 |
0 |
0.000 |
12 |
14 |
|
[B4X]B:204 |
28 |
1 |
869 |
f |
[B4X]A:202 |
x,y,z |
1_555 |
6 |
1 |
260 |
114.2 |
-2.6 |
0.629 |
0 |
0 |
0 |
0.004 |
13 |
15 |
|
A |
11 |
4 |
6104 |
◊ |
B |
-y+1/4,x-1/4,z+1/4 |
16_545 |
12 |
5 |
6302 |
88.2 |
0.5 |
0.706 |
2 |
0 |
0 |
0.000 |
14 |
16 |
|
[SO4]A:203 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
6104 |
85.0 |
-12.1 |
0.757 |
4 |
0 |
0 |
0.023 |
15 |
17 |
|
[B4X]B:202 |
7 |
1 |
448 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
6104 |
76.7 |
-0.0 |
0.733 |
0 |
0 |
0 |
0.000 |
16 |
18 |
|
[B4X]B:202 |
9 |
1 |
448 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
6302 |
72.9 |
-0.9 |
0.734 |
0 |
0 |
0 |
0.002 |
17 |
19 |
|
[SO4]B:205 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
6302 |
72.5 |
-11.0 |
0.640 |
3 |
0 |
0 |
0.022 |
18 |
20 |
|
[HEM]B:201 |
4 |
1 |
830 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
6104 |
66.1 |
-1.9 |
0.431 |
0 |
0 |
0 |
0.000 |
19 |
21 |
|
[B4X]B:202 |
13 |
1 |
448 |
f |
[NA]A:204 |
x,y,z |
1_555 |
1 |
1 |
125 |
54.1 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.015 |
20 |
22 |
|
A |
8 |
4 |
6104 |
x |
A |
z,x,y |
5_555 |
10 |
2 |
6104 |
52.4 |
-0.5 |
0.528 |
0 |
0 |
0 |
0.000 |
21 |
23 |
|
[NA]A:205 |
1 |
1 |
125 |
f |
[B4X]A:202 |
x,y,z |
1_555 |
6 |
1 |
260 |
50.6 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.012 |
22 |
24 |
|
[B4X]B:203 |
7 |
1 |
882 |
f |
[NA]A:204 |
x,y,z |
1_555 |
1 |
1 |
125 |
41.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.006 |
23 |
25 |
|
[B4X]B:204 |
5 |
1 |
869 |
f |
[NA]A:205 |
x,y,z |
1_555 |
1 |
1 |
125 |
35.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.005 |
24 |
26 |
|
[B4X]A:202 |
3 |
1 |
260 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
6104 |
33.9 |
-0.0 |
0.886 |
0 |
0 |
0 |
0.000 |
25 |
27 |
|
A |
2 |
1 |
6104 |
◊ |
A |
-z+1/4,-y+1/4,-x+1/4 |
48_555 |
2 |
1 |
6104 |
22.1 |
1.5 |
0.941 |
0 |
0 |
0 |
0.000 |
26 |
28 |
|
[B4X]B:203 |
1 |
1 |
882 |
◊ |
[HEM]A:201 |
x,y,z |
1_555 |
1 |
1 |
837 |
12.2 |
-0.4 |
0.335 |
0 |
0 |
0 |
0.000 |
27 |
29 |
|
[SO4]A:203 |
3 |
1 |
186 |
◊ |
[B4X]A:202 |
x,y,z |
1_555 |
3 |
1 |
260 |
10.1 |
-1.2 |
0.990 |
0 |
0 |
0 |
0.000 |
28 |
30 |
|
[B4X]B:204 |
1 |
1 |
869 |
◊ |
B |
y+1/4,x-1/4,-z-1/4 |
37_544 |
1 |
1 |
6302 |
9.5 |
0.5 |
0.743 |
0 |
0 |
0 |
0.000 |
29 |
31 |
|
A |
1 |
1 |
6104 |
x |
A |
-y+1/4,x-1/4,z+1/4 |
16_545 |
1 |
1 |
6104 |
8.3 |
0.4 |
0.865 |
0 |
0 |
0 |
0.000 |
30 |
32 |
|
[NA]A:204 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
6302 |
5.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
33 |
|
[B4X]A:202 |
1 |
1 |
260 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6302 |
5.8 |
-0.2 |
0.540 |
0 |
0 |
0 |
0.000 |
32 |
34 |
|
[NA]A:204 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6104 |
3.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
|