## |
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 |
|
D |
92 |
25 |
8050 |
◊ |
C |
x,y,z |
1_555 |
93 |
26 |
7724 |
884.8 |
-11.1 |
0.376 |
7 |
0 |
0 |
0.272 |
2 |
|
B |
91 |
26 |
7981 |
◊ |
A |
x,y,z |
1_555 |
91 |
26 |
7513 |
875.7 |
-8.9 |
0.452 |
8 |
1 |
0 |
0.272 |
Average: |
880.2 |
-10.0 |
0.414 |
8 |
1 |
0 |
0.272 |
2 |
3 |
|
[HEM]A:202 |
43 |
1 |
840 |
f |
A |
x,y,z |
1_555 |
69 |
26 |
7513 |
571.6 |
-19.6 |
0.382 |
1 |
0 |
0 |
0.376 |
4 |
|
[HEM]C:202 |
43 |
1 |
829 |
f |
C |
x,y,z |
1_555 |
69 |
25 |
7724 |
553.0 |
-18.6 |
0.400 |
0 |
0 |
0 |
0.376 |
Average: |
562.3 |
-19.1 |
0.391 |
1 |
0 |
0 |
0.376 |
3 |
5 |
|
[HEM]B:202 |
43 |
1 |
843 |
f |
B |
x,y,z |
1_555 |
65 |
25 |
7981 |
547.0 |
-17.5 |
0.466 |
0 |
0 |
0 |
0.330 |
6 |
|
[HEM]D:202 |
43 |
1 |
824 |
f |
D |
x,y,z |
1_555 |
61 |
25 |
8050 |
540.2 |
-17.3 |
0.463 |
0 |
0 |
0 |
0.330 |
Average: |
543.6 |
-17.4 |
0.465 |
0 |
0 |
0 |
0.330 |
4 |
7 |
|
D |
52 |
11 |
8050 |
◊ |
A |
x,y,z |
1_555 |
43 |
12 |
7513 |
437.4 |
-1.5 |
0.728 |
3 |
1 |
0 |
0.048 |
8 |
|
B |
51 |
11 |
7981 |
◊ |
C |
x,y,z |
1_555 |
45 |
12 |
7724 |
394.4 |
-1.3 |
0.750 |
3 |
0 |
0 |
0.048 |
Average: |
415.9 |
-1.4 |
0.739 |
3 |
1 |
0 |
0.048 |
5 |
9 |
|
C |
38 |
13 |
7724 |
◊ |
A |
x,y,z |
1_555 |
38 |
14 |
7513 |
364.5 |
-5.0 |
0.326 |
5 |
0 |
0 |
0.062 |
6 |
10 |
|
[GJ1]C:203 |
19 |
1 |
489 |
cf |
C |
x,y,z |
1_555 |
30 |
11 |
7724 |
227.2 |
2.7 |
0.422 |
0 |
0 |
0 |
0.000 |
11 |
|
[GJ1]A:203 |
19 |
1 |
489 |
cf |
A |
x,y,z |
1_555 |
28 |
10 |
7513 |
216.2 |
1.9 |
0.346 |
0 |
0 |
0 |
0.000 |
Average: |
221.7 |
2.3 |
0.384 |
0 |
0 |
0 |
0.000 |
7 |
12 |
|
A |
19 |
6 |
7513 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
20 |
9 |
7513 |
197.1 |
-0.0 |
0.736 |
3 |
1 |
0 |
0.000 |
8 |
13 |
|
D |
22 |
8 |
8050 |
x |
D |
x-1/2,-y+1/2,-z |
4_455 |
22 |
8 |
8050 |
184.9 |
0.7 |
0.810 |
2 |
1 |
0 |
0.000 |
9 |
14 |
|
A |
21 |
9 |
7513 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
18 |
9 |
7981 |
154.9 |
-0.7 |
0.656 |
1 |
0 |
0 |
0.000 |
10 |
15 |
|
D |
14 |
5 |
8050 |
◊ |
B |
x,y,z |
1_555 |
19 |
4 |
7981 |
137.5 |
0.7 |
0.749 |
1 |
0 |
0 |
0.000 |
11 |
16 |
|
C |
13 |
4 |
7724 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
15 |
4 |
7513 |
125.3 |
-1.3 |
0.529 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
B |
16 |
7 |
7981 |
◊ |
D |
-x+1,y-1/2,-z-1/2 |
3_644 |
10 |
3 |
8050 |
121.0 |
-1.2 |
0.475 |
1 |
2 |
0 |
0.000 |
13 |
18 |
|
[GJ1]C:203 |
15 |
1 |
489 |
◊ |
[GJ1]A:203 |
x,y,z |
1_555 |
15 |
1 |
489 |
112.9 |
1.1 |
0.100 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
C |
15 |
7 |
7724 |
◊ |
B |
x-1,y,z |
1_455 |
12 |
5 |
7981 |
105.4 |
0.1 |
0.743 |
2 |
2 |
0 |
0.000 |
15 |
20 |
|
[GJ1]A:203 |
17 |
1 |
489 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
7724 |
103.7 |
0.4 |
0.179 |
0 |
0 |
0 |
0.000 |
21 |
|
[GJ1]C:203 |
18 |
1 |
489 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
7513 |
102.7 |
0.3 |
0.168 |
0 |
0 |
0 |
0.000 |
Average: |
103.2 |
0.4 |
0.173 |
0 |
0 |
0 |
0.000 |
16 |
22 |
|
C |
13 |
5 |
7724 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
7 |
5 |
8050 |
86.4 |
-0.5 |
0.606 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
A |
16 |
5 |
7513 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
11 |
5 |
7981 |
85.8 |
0.5 |
0.762 |
0 |
0 |
0 |
0.000 |
18 |
24 |
|
C |
5 |
2 |
7724 |
◊ |
[HEM]D:202 |
-x+1/2,-y,z-1/2 |
2_554 |
6 |
1 |
824 |
78.9 |
-2.2 |
0.488 |
2 |
0 |
0 |
0.000 |
19 |
25 |
|
B |
10 |
4 |
7981 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
9 |
4 |
8050 |
71.2 |
-1.6 |
0.339 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
[CMO]C:201 |
2 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
7724 |
64.0 |
-0.7 |
0.726 |
0 |
0 |
0 |
0.012 |
21 |
27 |
|
[CMO]A:201 |
2 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
7513 |
63.3 |
-0.5 |
0.736 |
0 |
0 |
0 |
0.009 |
22 |
28 |
|
[CMO]D:201 |
2 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
8050 |
62.8 |
-0.5 |
0.742 |
0 |
0 |
0 |
0.009 |
23 |
29 |
|
[CMO]B:201 |
2 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
7981 |
61.6 |
-0.5 |
0.728 |
0 |
0 |
0 |
0.009 |
24 |
30 |
|
[HEM]A:202 |
17 |
1 |
840 |
cf |
[CMO]A:201 |
x,y,z |
1_555 |
2 |
1 |
137 |
44.8 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.038 |
25 |
31 |
|
[HEM]D:202 |
17 |
1 |
824 |
cf |
[CMO]D:201 |
x,y,z |
1_555 |
2 |
1 |
137 |
44.0 |
-1.9 |
0.500 |
0 |
0 |
0 |
0.037 |
26 |
32 |
|
[HEM]C:202 |
17 |
1 |
829 |
cf |
[CMO]C:201 |
x,y,z |
1_555 |
2 |
1 |
137 |
44.0 |
-1.9 |
0.500 |
0 |
0 |
0 |
0.037 |
27 |
33 |
|
[HEM]B:202 |
17 |
1 |
843 |
cf |
[CMO]B:201 |
x,y,z |
1_555 |
2 |
1 |
137 |
43.6 |
-1.9 |
0.500 |
0 |
0 |
0 |
0.037 |
28 |
34 |
|
B |
4 |
2 |
7981 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
6 |
2 |
7724 |
41.9 |
0.1 |
0.698 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
C |
7 |
2 |
7724 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
8050 |
31.8 |
0.2 |
0.755 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
A |
2 |
2 |
7513 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
2 |
2 |
7724 |
22.9 |
-0.7 |
0.219 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
[HEM]A:202 |
3 |
1 |
840 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
5 |
3 |
7981 |
13.4 |
-0.9 |
0.610 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
A |
2 |
1 |
7513 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
7724 |
10.5 |
-0.1 |
0.551 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
[HEM]C:202 |
1 |
1 |
829 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
8050 |
10.3 |
-0.5 |
0.446 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
D |
2 |
1 |
8050 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
7981 |
9.1 |
0.5 |
0.846 |
0 |
0 |
0 |
0.000 |
|