| ## |
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 |
|
C |
86 |
22 |
7802 |
◊ |
B |
x,y,z |
1_555 |
87 |
23 |
7781 |
842.9 |
-12.0 |
0.207 |
7 |
0 |
0 |
0.179 |
2 |
|
D |
89 |
23 |
7654 |
◊ |
A |
x,y,z |
1_555 |
91 |
24 |
7798 |
842.2 |
-11.7 |
0.211 |
4 |
0 |
0 |
0.179 |
| Average: |
842.6 |
-11.8 |
0.209 |
6 |
0 |
0 |
0.179 |
| 2 |
3 |
|
C |
63 |
12 |
7802 |
◊ |
A |
x,y,z |
1_555 |
72 |
15 |
7798 |
560.5 |
-5.2 |
0.515 |
4 |
3 |
0 |
0.075 |
4 |
|
D |
65 |
14 |
7654 |
◊ |
B |
x,y,z |
1_555 |
70 |
15 |
7781 |
560.2 |
-5.3 |
0.505 |
5 |
3 |
0 |
0.075 |
| Average: |
560.3 |
-5.3 |
0.510 |
5 |
3 |
0 |
0.075 |
| 3 |
5 |
|
[HEM]C:147 |
43 |
1 |
823 |
f |
C |
x,y,z |
1_555 |
68 |
25 |
7802 |
556.8 |
-17.6 |
0.453 |
0 |
0 |
0 |
0.452 |
6 |
|
[HEM]A:147 |
43 |
1 |
833 |
f |
A |
x,y,z |
1_555 |
68 |
25 |
7798 |
553.9 |
-18.4 |
0.341 |
0 |
0 |
0 |
0.452 |
7 |
|
[HEM]D:147 |
43 |
1 |
829 |
f |
D |
x,y,z |
1_555 |
67 |
25 |
7654 |
552.5 |
-17.9 |
0.363 |
0 |
0 |
0 |
0.452 |
8 |
|
[HEM]B:147 |
43 |
1 |
811 |
f |
B |
x,y,z |
1_555 |
65 |
24 |
7781 |
540.6 |
-17.9 |
0.289 |
0 |
0 |
0 |
0.452 |
| Average: |
551.0 |
-18.0 |
0.362 |
0 |
0 |
0 |
0.452 |
| 4 |
9 |
|
C |
26 |
8 |
7802 |
◊ |
B |
x,y,z-1 |
1_554 |
26 |
8 |
7781 |
264.4 |
1.5 |
0.867 |
6 |
4 |
0 |
0.000 |
| 5 |
10 |
|
C |
27 |
9 |
7802 |
◊ |
D |
x-1,y,z |
1_455 |
26 |
9 |
7654 |
253.0 |
1.0 |
0.797 |
5 |
3 |
0 |
0.000 |
| 6 |
11 |
|
B |
36 |
11 |
7781 |
◊ |
A |
x,y,z |
1_555 |
26 |
9 |
7798 |
238.2 |
1.4 |
0.850 |
4 |
0 |
0 |
0.023 |
12 |
|
D |
29 |
9 |
7654 |
◊ |
C |
x,y,z |
1_555 |
29 |
9 |
7802 |
218.9 |
-0.1 |
0.753 |
4 |
0 |
0 |
0.023 |
| Average: |
228.6 |
0.6 |
0.801 |
4 |
0 |
0 |
0.023 |
| 7 |
13 |
|
C |
25 |
7 |
7802 |
x |
C |
-x+1,y-1/2,-z |
2_645 |
29 |
10 |
7802 |
227.9 |
-1.3 |
0.560 |
1 |
1 |
0 |
0.000 |
| 8 |
14 |
|
D |
28 |
10 |
7654 |
◊ |
A |
-x+2,y-1/2,-z |
2_745 |
22 |
7 |
7798 |
207.3 |
0.6 |
0.766 |
1 |
3 |
0 |
0.000 |
| 9 |
15 |
|
C |
24 |
9 |
7802 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
20 |
7 |
7798 |
189.8 |
0.7 |
0.799 |
2 |
1 |
0 |
0.000 |
| 10 |
16 |
|
B |
17 |
5 |
7781 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
18 |
6 |
7798 |
163.9 |
-2.0 |
0.397 |
0 |
0 |
0 |
0.000 |
| 11 |
17 |
|
B |
15 |
7 |
7781 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
4 |
7798 |
109.7 |
0.3 |
0.737 |
1 |
1 |
0 |
0.000 |
| 12 |
18 |
|
D |
12 |
4 |
7654 |
x |
D |
-x+2,y-1/2,-z |
2_745 |
14 |
5 |
7654 |
106.7 |
0.5 |
0.760 |
1 |
1 |
0 |
0.000 |
| 13 |
19 |
|
[SO4]B:151 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
7781 |
96.1 |
-14.3 |
0.783 |
2 |
0 |
0 |
0.187 |
| 14 |
20 |
|
[SO4]A:150 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
7798 |
87.2 |
-13.0 |
0.842 |
2 |
0 |
0 |
0.172 |
| 15 |
21 |
|
[SO4]C:153 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
7802 |
84.5 |
-12.8 |
0.744 |
2 |
0 |
0 |
0.167 |
| 16 |
22 |
|
B |
9 |
3 |
7781 |
◊ |
D |
x-1,y,z |
1_455 |
7 |
3 |
7654 |
83.7 |
-1.9 |
0.202 |
0 |
0 |
0 |
0.000 |
| 17 |
23 |
|
[SO4]D:152 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
7654 |
74.6 |
-10.7 |
0.894 |
3 |
0 |
0 |
0.149 |
| 18 |
24 |
|
[SO4]D:152 |
5 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
7802 |
67.1 |
-7.8 |
0.897 |
1 |
0 |
0 |
0.100 |
| 19 |
25 |
|
[CMO]C:148 |
2 |
1 |
136 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
7802 |
64.2 |
-0.7 |
0.701 |
0 |
0 |
0 |
0.009 |
| 20 |
26 |
|
[CMO]D:148 |
2 |
1 |
136 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
7654 |
63.2 |
-0.8 |
0.682 |
0 |
0 |
0 |
0.010 |
27 |
|
[CMO]A:148 |
2 |
1 |
136 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
7798 |
62.6 |
-0.0 |
0.789 |
0 |
0 |
0 |
0.010 |
28 |
|
[CMO]B:148 |
2 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
7781 |
62.3 |
-0.1 |
0.787 |
0 |
0 |
0 |
0.010 |
| Average: |
62.7 |
-0.3 |
0.753 |
0 |
0 |
0 |
0.010 |
| 21 |
29 |
|
[HEM]D:147 |
4 |
1 |
829 |
◊ |
A |
-x+2,y-1/2,-z |
2_745 |
10 |
4 |
7798 |
59.6 |
-3.5 |
0.275 |
1 |
0 |
0 |
0.000 |
| 22 |
30 |
|
[SO4]A:150 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
7781 |
44.5 |
-5.0 |
0.899 |
1 |
0 |
0 |
0.067 |
| 23 |
31 |
|
[CMO]C:148 |
2 |
1 |
136 |
cf |
[HEM]C:147 |
x,y,z |
1_555 |
16 |
1 |
823 |
44.0 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.024 |
| 24 |
32 |
|
[CMO]B:148 |
2 |
1 |
137 |
cf |
[HEM]B:147 |
x,y,z |
1_555 |
16 |
1 |
811 |
43.7 |
-1.9 |
0.500 |
0 |
0 |
0 |
0.050 |
33 |
|
[CMO]D:148 |
2 |
1 |
136 |
cf |
[HEM]D:147 |
x,y,z |
1_555 |
17 |
1 |
829 |
43.6 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.050 |
34 |
|
[CMO]A:148 |
2 |
1 |
136 |
cf |
[HEM]A:147 |
x,y,z |
1_555 |
14 |
1 |
833 |
43.5 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.050 |
| Average: |
43.6 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.050 |
| 25 |
35 |
|
[SO4]C:153 |
4 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
7654 |
42.1 |
-5.1 |
0.835 |
0 |
0 |
0 |
0.062 |
| 26 |
36 |
|
[SO4]B:151 |
3 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
7798 |
37.8 |
-4.0 |
0.932 |
0 |
0 |
0 |
0.050 |
| 27 |
37 |
|
C |
6 |
2 |
7802 |
◊ |
D |
-x+2,y-1/2,-z |
2_745 |
6 |
3 |
7654 |
35.4 |
-0.3 |
0.592 |
0 |
0 |
0 |
0.000 |
| 28 |
38 |
|
[HEM]B:147 |
4 |
1 |
811 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
5 |
2 |
7798 |
33.9 |
-0.6 |
0.744 |
1 |
0 |
0 |
0.000 |
| 29 |
39 |
|
D |
4 |
1 |
7654 |
◊ |
A |
x,y,z-1 |
1_554 |
3 |
1 |
7798 |
27.5 |
-0.9 |
0.277 |
0 |
0 |
0 |
0.000 |
| 30 |
40 |
|
D |
7 |
2 |
7654 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
3 |
3 |
7798 |
18.9 |
-0.4 |
0.479 |
0 |
0 |
0 |
0.000 |
| 31 |
41 |
|
[SO4]B:151 |
1 |
1 |
188 |
◊ |
[SO4]A:150 |
x,y,z |
1_555 |
1 |
1 |
188 |
8.3 |
-2.0 |
0.800 |
0 |
0 |
0 |
0.024 |
| 32 |
42 |
|
[HEM]A:147 |
1 |
1 |
833 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
7802 |
7.3 |
-0.0 |
0.823 |
0 |
0 |
0 |
0.000 |
| 33 |
43 |
|
B |
1 |
1 |
7781 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
7802 |
0.7 |
0.0 |
0.672 |
0 |
0 |
0 |
0.000 |
|