| ## |
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 |
95 |
26 |
7979 |
◊ |
C |
x,y,z |
1_555 |
95 |
27 |
7800 |
904.1 |
-11.6 |
0.323 |
9 |
0 |
0 |
0.253 |
2 |
|
B |
98 |
27 |
7934 |
◊ |
A |
x,y,z |
1_555 |
92 |
26 |
7580 |
901.8 |
-7.9 |
0.530 |
10 |
0 |
0 |
0.253 |
| Average: |
903.0 |
-9.7 |
0.426 |
10 |
0 |
0 |
0.253 |
| 2 |
3 |
|
[HEM]A:202 |
43 |
1 |
831 |
f |
A |
x,y,z |
1_555 |
68 |
25 |
7580 |
569.7 |
-20.7 |
0.274 |
1 |
0 |
0 |
0.362 |
4 |
|
[HEM]C:202 |
42 |
1 |
834 |
f |
C |
x,y,z |
1_555 |
69 |
25 |
7800 |
554.9 |
-19.1 |
0.316 |
0 |
0 |
0 |
0.362 |
| Average: |
562.3 |
-19.9 |
0.295 |
1 |
0 |
0 |
0.362 |
| 3 |
5 |
|
[HEM]D:202 |
42 |
1 |
827 |
f |
D |
x,y,z |
1_555 |
66 |
25 |
7979 |
548.0 |
-19.2 |
0.316 |
0 |
0 |
0 |
0.323 |
6 |
|
[HEM]B:202 |
43 |
1 |
836 |
f |
B |
x,y,z |
1_555 |
61 |
25 |
7934 |
545.6 |
-18.9 |
0.284 |
0 |
0 |
0 |
0.323 |
| Average: |
546.8 |
-19.1 |
0.300 |
0 |
0 |
0 |
0.323 |
| 4 |
7 |
|
D |
52 |
12 |
7979 |
◊ |
A |
x,y,z |
1_555 |
43 |
12 |
7580 |
429.2 |
-1.8 |
0.705 |
4 |
2 |
0 |
0.061 |
8 |
|
B |
54 |
13 |
7934 |
◊ |
C |
x,y,z |
1_555 |
45 |
13 |
7800 |
401.4 |
-1.6 |
0.726 |
5 |
1 |
0 |
0.061 |
| Average: |
415.3 |
-1.7 |
0.715 |
5 |
2 |
0 |
0.061 |
| 5 |
9 |
|
C |
35 |
13 |
7800 |
◊ |
A |
x,y,z |
1_555 |
39 |
13 |
7580 |
360.8 |
-5.5 |
0.263 |
2 |
0 |
0 |
0.049 |
| 6 |
10 |
|
[V2D]C:203 |
19 |
1 |
452 |
cf |
C |
x,y,z |
1_555 |
38 |
13 |
7800 |
233.5 |
-0.3 |
0.466 |
2 |
0 |
0 |
0.020 |
| 7 |
11 |
|
[V2D]A:203 |
19 |
1 |
446 |
cf |
A |
x,y,z |
1_555 |
28 |
11 |
7580 |
232.9 |
0.8 |
0.480 |
1 |
0 |
0 |
0.000 |
| 8 |
12 |
|
A |
24 |
7 |
7580 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
23 |
9 |
7580 |
227.2 |
1.0 |
0.727 |
3 |
1 |
0 |
0.000 |
| 9 |
13 |
|
A |
17 |
10 |
7580 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
24 |
8 |
7934 |
208.2 |
-1.5 |
0.569 |
1 |
0 |
0 |
0.000 |
| 10 |
14 |
|
D |
21 |
8 |
7979 |
x |
D |
x-1/2,-y+1/2,-z |
4_455 |
21 |
9 |
7979 |
191.2 |
0.9 |
0.804 |
1 |
1 |
0 |
0.000 |
| 11 |
15 |
|
D |
19 |
6 |
7979 |
◊ |
B |
x,y,z |
1_555 |
16 |
3 |
7934 |
156.2 |
0.5 |
0.783 |
1 |
0 |
0 |
0.000 |
| 12 |
16 |
|
B |
17 |
7 |
7934 |
◊ |
D |
-x+1,y-1/2,-z-1/2 |
3_644 |
12 |
4 |
7979 |
142.3 |
-0.9 |
0.552 |
1 |
2 |
0 |
0.000 |
| 13 |
17 |
|
C |
13 |
4 |
7800 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
18 |
5 |
7580 |
132.5 |
-1.5 |
0.514 |
0 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[V2D]C:203 |
16 |
1 |
452 |
◊ |
[V2D]A:203 |
x,y,z |
1_555 |
17 |
1 |
446 |
109.4 |
3.0 |
0.446 |
0 |
0 |
0 |
0.000 |
| 15 |
19 |
|
C |
16 |
7 |
7800 |
◊ |
B |
x-1,y,z |
1_455 |
12 |
6 |
7934 |
101.1 |
-0.3 |
0.684 |
0 |
0 |
0 |
0.000 |
| 16 |
20 |
|
A |
16 |
5 |
7580 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
13 |
5 |
7934 |
83.3 |
0.6 |
0.778 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
C |
17 |
6 |
7800 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
8 |
5 |
7979 |
81.0 |
-0.2 |
0.616 |
1 |
0 |
0 |
0.000 |
| 18 |
22 |
|
C |
7 |
3 |
7800 |
◊ |
[HEM]D:202 |
-x+1/2,-y,z-1/2 |
2_554 |
7 |
1 |
827 |
79.9 |
-1.8 |
0.602 |
3 |
0 |
0 |
0.000 |
| 19 |
23 |
|
B |
10 |
4 |
7934 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
7 |
3 |
7979 |
72.5 |
-1.7 |
0.262 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[V2D]C:203 |
11 |
1 |
452 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
7580 |
72.1 |
0.8 |
0.355 |
0 |
0 |
0 |
0.000 |
25 |
|
[V2D]A:203 |
8 |
1 |
446 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
7800 |
64.6 |
0.8 |
0.492 |
0 |
0 |
0 |
0.000 |
| Average: |
68.3 |
0.8 |
0.423 |
0 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[CMO]A:201 |
2 |
1 |
135 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
7580 |
62.3 |
-0.9 |
0.652 |
1 |
0 |
0 |
0.023 |
| 22 |
27 |
|
[CMO]C:201 |
2 |
1 |
135 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
7800 |
61.7 |
-0.8 |
0.688 |
1 |
0 |
0 |
0.020 |
| 23 |
28 |
|
[CMO]B:201 |
2 |
1 |
135 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
7934 |
61.0 |
-0.8 |
0.674 |
1 |
0 |
0 |
0.021 |
| 24 |
29 |
|
[CMO]D:201 |
2 |
1 |
135 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
7979 |
60.9 |
-0.8 |
0.662 |
1 |
0 |
0 |
0.020 |
| 25 |
30 |
|
C |
6 |
3 |
7800 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
7979 |
51.6 |
0.8 |
0.840 |
1 |
2 |
0 |
0.000 |
| 26 |
31 |
|
[HEM]D:202 |
18 |
1 |
827 |
cf |
[CMO]D:201 |
x,y,z |
1_555 |
2 |
1 |
135 |
46.2 |
-1.9 |
0.866 |
0 |
0 |
0 |
0.031 |
| 27 |
32 |
|
[HEM]C:202 |
18 |
1 |
834 |
f |
[CMO]C:201 |
x,y,z |
1_555 |
2 |
1 |
135 |
45.5 |
-1.9 |
0.500 |
0 |
0 |
0 |
0.031 |
| 28 |
33 |
|
[HEM]B:202 |
15 |
1 |
836 |
cf |
[CMO]B:201 |
x,y,z |
1_555 |
2 |
1 |
135 |
45.4 |
-1.8 |
0.866 |
0 |
0 |
0 |
0.031 |
| 29 |
34 |
|
B |
4 |
3 |
7934 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
9 |
4 |
7800 |
44.6 |
-0.0 |
0.704 |
0 |
0 |
0 |
0.000 |
| 30 |
35 |
|
[HEM]A:202 |
17 |
1 |
831 |
f |
[CMO]A:201 |
x,y,z |
1_555 |
2 |
1 |
135 |
44.0 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.034 |
| 31 |
36 |
|
A |
4 |
3 |
7580 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
4 |
2 |
7800 |
32.0 |
-0.9 |
0.317 |
0 |
0 |
0 |
0.000 |
| 32 |
37 |
|
A |
5 |
3 |
7580 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
3 |
7800 |
24.2 |
0.4 |
0.784 |
0 |
0 |
0 |
0.000 |
| 33 |
38 |
|
[HEM]A:202 |
2 |
1 |
831 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
5 |
3 |
7934 |
17.7 |
-1.2 |
0.466 |
0 |
0 |
0 |
0.000 |
| 34 |
39 |
|
A |
1 |
1 |
7580 |
◊ |
[HEM]B:202 |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
836 |
9.7 |
0.2 |
0.713 |
0 |
0 |
0 |
0.000 |
| 35 |
40 |
|
[HEM]C:202 |
1 |
1 |
834 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
7979 |
8.5 |
-0.1 |
0.488 |
0 |
0 |
0 |
0.000 |
| 36 |
41 |
|
D |
2 |
2 |
7979 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
2 |
2 |
7934 |
7.1 |
0.2 |
0.756 |
0 |
0 |
0 |
0.000 |
| 37 |
42 |
|
D |
3 |
1 |
7979 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
7580 |
5.1 |
-0.1 |
0.477 |
0 |
0 |
0 |
0.000 |
|