| ## |
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 |
268 |
69 |
20038 |
◊ |
A |
x,y,z |
1_555 |
266 |
68 |
19968 |
2591.9 |
-38.3 |
0.007 |
37 |
9 |
0 |
0.554 |
| 2 |
2 |
|
A |
68 |
20 |
19968 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
70 |
20 |
20038 |
661.3 |
-0.4 |
0.740 |
13 |
0 |
0 |
0.000 |
| 3 |
3 |
|
[HEM]A:750 |
42 |
1 |
817 |
f |
A |
x,y,z |
1_555 |
80 |
26 |
19968 |
516.7 |
-18.1 |
0.327 |
1 |
0 |
0 |
0.365 |
4 |
|
[HEM]B:750 |
42 |
1 |
818 |
f |
B |
x,y,z |
1_555 |
80 |
25 |
20038 |
512.3 |
-18.0 |
0.282 |
1 |
0 |
0 |
0.365 |
| Average: |
514.5 |
-18.0 |
0.304 |
1 |
0 |
0 |
0.365 |
| 4 |
5 |
|
B |
47 |
13 |
20038 |
x |
B |
x-1,y,z |
1_455 |
50 |
14 |
20038 |
422.8 |
-0.4 |
0.667 |
2 |
1 |
0 |
0.000 |
| 5 |
6 |
|
[JI3]B:800 |
25 |
1 |
660 |
◊ |
B |
x,y,z |
1_555 |
47 |
18 |
20038 |
340.8 |
3.9 |
0.400 |
4 |
0 |
0 |
0.000 |
7 |
|
[JI3]A:800 |
26 |
1 |
661 |
◊ |
A |
x,y,z |
1_555 |
51 |
18 |
19968 |
335.2 |
4.2 |
0.422 |
4 |
0 |
0 |
0.000 |
| Average: |
338.0 |
4.0 |
0.411 |
4 |
0 |
0 |
0.000 |
| 6 |
8 |
|
B |
33 |
10 |
20038 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
28 |
8 |
19968 |
278.3 |
-1.3 |
0.543 |
2 |
1 |
0 |
0.000 |
| 7 |
9 |
|
[H4B]A:760 |
17 |
1 |
402 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
19968 |
199.8 |
2.0 |
0.456 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]B:760 |
17 |
1 |
401 |
f |
B |
x,y,z |
1_555 |
30 |
9 |
20038 |
197.5 |
2.0 |
0.449 |
2 |
0 |
0 |
0.000 |
| Average: |
198.7 |
2.0 |
0.453 |
2 |
0 |
0 |
0.000 |
| 8 |
11 |
|
A |
21 |
11 |
19968 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
24 |
9 |
20038 |
167.2 |
1.0 |
0.753 |
1 |
2 |
0 |
0.000 |
| 9 |
12 |
|
[JI3]B:800 |
16 |
1 |
660 |
◊ |
[HEM]B:750 |
x,y,z |
1_555 |
34 |
1 |
818 |
165.0 |
0.7 |
0.738 |
0 |
0 |
0 |
0.000 |
13 |
|
[JI3]A:800 |
17 |
1 |
661 |
◊ |
[HEM]A:750 |
x,y,z |
1_555 |
35 |
1 |
817 |
160.0 |
0.4 |
0.713 |
1 |
0 |
0 |
0.000 |
| Average: |
162.5 |
0.6 |
0.726 |
1 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[H4B]B:760 |
13 |
1 |
401 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
19968 |
119.6 |
-0.1 |
0.257 |
1 |
0 |
0 |
0.011 |
15 |
|
[H4B]A:760 |
14 |
1 |
402 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20038 |
119.4 |
-0.1 |
0.256 |
1 |
0 |
0 |
0.011 |
| Average: |
119.5 |
-0.1 |
0.257 |
1 |
0 |
0 |
0.011 |
| 11 |
16 |
|
[ACT]B:860 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
20038 |
112.9 |
-1.3 |
0.498 |
1 |
0 |
0 |
0.017 |
| 12 |
17 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
19968 |
112.6 |
-1.2 |
0.501 |
1 |
0 |
0 |
0.016 |
| 13 |
18 |
|
[JI3]A:800 |
4 |
1 |
661 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
20038 |
41.7 |
-2.0 |
0.116 |
0 |
0 |
0 |
0.041 |
19 |
|
[JI3]B:800 |
3 |
1 |
660 |
f |
A |
x,y,z |
1_555 |
5 |
1 |
19968 |
41.6 |
-2.2 |
0.147 |
0 |
0 |
0 |
0.041 |
| Average: |
41.7 |
-2.1 |
0.131 |
0 |
0 |
0 |
0.041 |
| 14 |
20 |
|
[H4B]B:760 |
3 |
1 |
401 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
818 |
41.4 |
-1.3 |
0.442 |
2 |
0 |
0 |
0.043 |
21 |
|
[H4B]A:760 |
3 |
1 |
402 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
817 |
40.6 |
-1.3 |
0.448 |
2 |
0 |
0 |
0.043 |
| Average: |
41.0 |
-1.3 |
0.445 |
2 |
0 |
0 |
0.043 |
| 15 |
22 |
|
[ACT]B:860 |
3 |
1 |
184 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
818 |
36.3 |
-1.0 |
0.749 |
0 |
0 |
0 |
0.010 |
| 16 |
23 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20038 |
34.9 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.286 |
24 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
19968 |
34.6 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.286 |
| Average: |
34.7 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.286 |
| 17 |
25 |
|
[ACT]A:860 |
3 |
1 |
183 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
817 |
31.8 |
-0.9 |
0.812 |
0 |
0 |
0 |
0.009 |
| 18 |
26 |
|
B |
2 |
1 |
20038 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
2 |
20038 |
18.5 |
1.0 |
0.892 |
0 |
0 |
0 |
0.000 |
| 19 |
27 |
|
[JI3]B:800 |
4 |
1 |
660 |
◊ |
[H4B]B:760 |
x,y,z |
1_555 |
3 |
1 |
401 |
15.3 |
-0.3 |
0.195 |
0 |
0 |
0 |
0.006 |
28 |
|
[JI3]A:800 |
4 |
1 |
661 |
◊ |
[H4B]A:760 |
x,y,z |
1_555 |
1 |
1 |
402 |
9.3 |
-0.3 |
0.156 |
0 |
0 |
0 |
0.006 |
| Average: |
12.3 |
-0.3 |
0.176 |
0 |
0 |
0 |
0.006 |
| 20 |
29 |
|
A |
1 |
1 |
19968 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
19968 |
4.5 |
-0.1 |
0.346 |
0 |
0 |
0 |
0.000 |
|