## |
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 |
|
B |
88 |
23 |
7962 |
◊ |
A |
x,y,z |
1_555 |
89 |
24 |
7781 |
844.2 |
-10.4 |
0.334 |
7 |
0 |
0 |
0.257 |
2 |
|
D |
89 |
23 |
7916 |
◊ |
C |
x,y,z |
1_555 |
86 |
22 |
7886 |
826.6 |
-11.4 |
0.272 |
6 |
0 |
0 |
0.257 |
Average: |
835.4 |
-10.9 |
0.303 |
7 |
0 |
0 |
0.257 |
2 |
3 |
|
D |
83 |
20 |
7916 |
◊ |
A |
x,y,z |
1_555 |
67 |
17 |
7781 |
677.1 |
-4.9 |
0.625 |
7 |
2 |
0 |
0.134 |
4 |
|
B |
81 |
19 |
7962 |
◊ |
C |
x,y,z |
1_555 |
71 |
17 |
7886 |
663.1 |
-5.5 |
0.605 |
6 |
0 |
0 |
0.134 |
Average: |
670.1 |
-5.2 |
0.615 |
7 |
1 |
0 |
0.134 |
3 |
5 |
|
[HEM]C:142 |
43 |
1 |
841 |
f |
C |
x,y,z |
1_555 |
67 |
26 |
7886 |
599.9 |
-19.8 |
0.472 |
2 |
0 |
0 |
0.380 |
6 |
|
[HEM]A:142 |
43 |
1 |
840 |
f |
A |
x,y,z |
1_555 |
72 |
27 |
7781 |
594.6 |
-19.3 |
0.493 |
2 |
0 |
0 |
0.380 |
Average: |
597.2 |
-19.5 |
0.482 |
2 |
0 |
0 |
0.380 |
4 |
7 |
|
[HEM]D:147 |
43 |
1 |
823 |
f |
D |
x,y,z |
1_555 |
68 |
26 |
7916 |
576.1 |
-18.9 |
0.331 |
0 |
0 |
0 |
0.355 |
8 |
|
[HEM]B:147 |
43 |
1 |
821 |
f |
B |
x,y,z |
1_555 |
68 |
24 |
7962 |
565.3 |
-18.8 |
0.356 |
0 |
0 |
0 |
0.355 |
Average: |
570.7 |
-18.9 |
0.343 |
0 |
0 |
0 |
0.355 |
5 |
9 |
|
A |
30 |
10 |
7781 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
26 |
10 |
7962 |
276.3 |
-2.5 |
0.511 |
4 |
2 |
0 |
0.000 |
6 |
10 |
|
C |
29 |
9 |
7886 |
◊ |
A |
x,y,z |
1_555 |
29 |
9 |
7781 |
270.5 |
3.5 |
0.949 |
5 |
4 |
0 |
0.000 |
7 |
11 |
|
D |
32 |
9 |
7916 |
◊ |
B |
x,y,z-1 |
1_554 |
26 |
9 |
7962 |
229.0 |
-0.5 |
0.666 |
2 |
0 |
0 |
0.000 |
8 |
12 |
|
C |
12 |
6 |
7886 |
◊ |
D |
-x+1/2,y-1/2,-z-1 |
3_544 |
13 |
5 |
7916 |
132.2 |
0.6 |
0.782 |
0 |
2 |
0 |
0.000 |
9 |
13 |
|
C |
10 |
4 |
7886 |
◊ |
B |
-x+1/2,y-1/2,-z |
3_545 |
13 |
4 |
7962 |
112.5 |
1.2 |
0.726 |
0 |
0 |
0 |
0.000 |
10 |
14 |
|
A |
12 |
4 |
7781 |
◊ |
[HEM]B:147 |
x-1/2,-y+1/2,-z |
4_455 |
6 |
1 |
821 |
91.7 |
-3.7 |
0.415 |
1 |
0 |
0 |
0.000 |
11 |
15 |
|
B |
11 |
3 |
7962 |
◊ |
A |
-x+1/2,y-1/2,-z |
3_545 |
9 |
3 |
7781 |
78.8 |
-0.3 |
0.617 |
0 |
2 |
0 |
0.000 |
12 |
16 |
|
[HEM]C:142 |
7 |
1 |
841 |
◊ |
B |
-x+1/2,y-1/2,-z |
3_545 |
9 |
3 |
7962 |
77.7 |
-1.7 |
0.655 |
2 |
0 |
0 |
0.000 |
13 |
17 |
|
[OXY]D:150 |
2 |
1 |
121 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
7916 |
55.2 |
0.4 |
0.782 |
1 |
0 |
0 |
0.000 |
14 |
18 |
|
[OXY]A:150 |
2 |
1 |
119 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
7781 |
54.9 |
0.3 |
0.741 |
1 |
0 |
0 |
0.003 |
15 |
19 |
|
[OXY]C:150 |
2 |
1 |
119 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
7886 |
54.8 |
0.3 |
0.718 |
1 |
0 |
0 |
0.003 |
16 |
20 |
|
[OXY]B:150 |
2 |
1 |
120 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
7962 |
54.6 |
0.6 |
0.830 |
1 |
0 |
0 |
0.000 |
17 |
21 |
|
A |
5 |
2 |
7781 |
◊ |
A |
-x,-y+1,z |
2_565 |
5 |
2 |
7781 |
52.9 |
2.1 |
0.939 |
2 |
2 |
0 |
0.000 |
18 |
22 |
|
C |
5 |
3 |
7886 |
◊ |
D |
x-1/2,-y+1/2,-z-1 |
4_454 |
8 |
4 |
7916 |
50.8 |
-0.7 |
0.363 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
[OXY]B:150 |
2 |
1 |
120 |
cf |
[HEM]B:147 |
x,y,z |
1_555 |
17 |
1 |
821 |
41.3 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.006 |
20 |
24 |
|
[OXY]D:150 |
2 |
1 |
121 |
cf |
[HEM]D:147 |
x,y,z |
1_555 |
17 |
1 |
823 |
41.0 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.006 |
21 |
25 |
|
[OXY]A:150 |
2 |
1 |
119 |
cf |
[HEM]A:142 |
x,y,z |
1_555 |
17 |
1 |
840 |
40.1 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.004 |
22 |
26 |
|
[OXY]C:150 |
2 |
1 |
119 |
cf |
[HEM]C:142 |
x,y,z |
1_555 |
15 |
1 |
841 |
39.7 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.006 |
23 |
27 |
|
C |
3 |
1 |
7886 |
◊ |
[HEM]D:147 |
-x+1/2,y-1/2,-z-1 |
3_544 |
4 |
1 |
823 |
35.7 |
-0.8 |
0.687 |
1 |
0 |
0 |
0.000 |
24 |
28 |
|
D |
2 |
1 |
7916 |
x |
D |
x-1/2,-y+1/2,-z-1 |
4_454 |
2 |
1 |
7916 |
27.4 |
-0.8 |
0.211 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
D |
1 |
1 |
7916 |
x |
D |
-x+1/2,y-1/2,-z-1 |
3_544 |
5 |
2 |
7916 |
21.5 |
0.6 |
0.692 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
[HEM]A:142 |
1 |
1 |
840 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
7916 |
3.6 |
0.1 |
0.886 |
0 |
0 |
0 |
0.000 |
31 |
|
[HEM]C:142 |
1 |
1 |
841 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7962 |
1.8 |
0.0 |
0.867 |
0 |
0 |
0 |
0.000 |
Average: |
2.7 |
0.1 |
0.877 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
C |
4 |
2 |
7886 |
◊ |
A |
-x+1/2,y-1/2,-z |
3_545 |
2 |
2 |
7781 |
3.4 |
-0.1 |
0.607 |
0 |
0 |
0 |
0.000 |
28 |
33 |
|
C |
2 |
1 |
7886 |
◊ |
C |
-x,-y,z |
2_555 |
2 |
1 |
7886 |
3.3 |
-0.1 |
0.603 |
0 |
0 |
0 |
0.000 |
|