## |
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 |
272 |
70 |
20204 |
◊ |
A |
x,y,z |
1_555 |
269 |
72 |
20121 |
2606.7 |
-39.0 |
0.006 |
36 |
9 |
0 |
0.476 |
2 |
2 |
|
A |
65 |
19 |
20121 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
67 |
19 |
20204 |
660.1 |
-1.7 |
0.645 |
16 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:750 |
43 |
1 |
829 |
f |
B |
x,y,z |
1_555 |
77 |
23 |
20204 |
522.3 |
-17.5 |
0.296 |
0 |
0 |
0 |
0.295 |
4 |
|
[HEM]A:750 |
43 |
1 |
827 |
f |
A |
x,y,z |
1_555 |
80 |
25 |
20121 |
522.0 |
-17.4 |
0.296 |
0 |
0 |
0 |
0.295 |
Average: |
522.1 |
-17.5 |
0.296 |
0 |
0 |
0 |
0.295 |
4 |
5 |
|
B |
50 |
15 |
20204 |
x |
B |
x-1,y,z |
1_455 |
52 |
15 |
20204 |
474.0 |
-0.8 |
0.620 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
[HW9]B:800 |
26 |
1 |
664 |
f |
B |
x,y,z |
1_555 |
54 |
20 |
20204 |
376.5 |
-2.2 |
0.394 |
0 |
0 |
0 |
0.031 |
7 |
|
[HW9]A:800 |
26 |
1 |
660 |
f |
A |
x,y,z |
1_555 |
51 |
20 |
20121 |
371.6 |
-1.5 |
0.432 |
0 |
0 |
0 |
0.031 |
Average: |
374.1 |
-1.9 |
0.413 |
0 |
0 |
0 |
0.031 |
6 |
8 |
|
B |
42 |
12 |
20204 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
4_645 |
38 |
11 |
20121 |
322.7 |
-1.4 |
0.587 |
3 |
2 |
0 |
0.000 |
7 |
9 |
|
A |
29 |
12 |
20121 |
◊ |
B |
-x,y-1/2,-z+1/2 |
4_545 |
25 |
10 |
20204 |
194.0 |
0.5 |
0.738 |
2 |
3 |
0 |
0.000 |
8 |
10 |
|
[H4B]B:760 |
17 |
1 |
401 |
f |
B |
x,y,z |
1_555 |
24 |
8 |
20204 |
188.9 |
2.3 |
0.478 |
2 |
0 |
0 |
0.000 |
11 |
|
[H4B]A:760 |
17 |
1 |
399 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
20121 |
187.9 |
2.1 |
0.476 |
2 |
0 |
0 |
0.000 |
Average: |
188.4 |
2.2 |
0.477 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
[HW9]B:800 |
18 |
1 |
664 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
30 |
1 |
829 |
166.8 |
-5.6 |
0.640 |
2 |
0 |
0 |
0.109 |
13 |
|
[HW9]A:800 |
20 |
1 |
660 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
31 |
1 |
827 |
166.4 |
-5.5 |
0.645 |
2 |
0 |
0 |
0.109 |
Average: |
166.6 |
-5.5 |
0.642 |
2 |
0 |
0 |
0.109 |
10 |
14 |
|
[H4B]B:760 |
13 |
1 |
401 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
20121 |
120.5 |
-0.1 |
0.264 |
1 |
0 |
0 |
0.009 |
15 |
|
[H4B]A:760 |
13 |
1 |
399 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
20204 |
117.1 |
-0.1 |
0.287 |
1 |
0 |
0 |
0.009 |
Average: |
118.8 |
-0.1 |
0.276 |
1 |
0 |
0 |
0.009 |
11 |
16 |
|
[ACT]B:860 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
20204 |
114.8 |
-1.5 |
0.453 |
1 |
0 |
0 |
0.016 |
12 |
17 |
|
[ACT]A:860 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
20121 |
111.4 |
-1.4 |
0.478 |
1 |
0 |
0 |
0.016 |
13 |
18 |
|
[H4B]B:760 |
4 |
1 |
401 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
829 |
41.2 |
-1.1 |
0.465 |
2 |
0 |
0 |
0.034 |
19 |
|
[H4B]A:760 |
4 |
1 |
399 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
827 |
40.8 |
-1.2 |
0.459 |
2 |
0 |
0 |
0.034 |
Average: |
41.0 |
-1.2 |
0.462 |
2 |
0 |
0 |
0.034 |
14 |
20 |
|
[ACT]A:860 |
3 |
1 |
182 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
827 |
37.8 |
-1.2 |
0.751 |
0 |
0 |
0 |
0.010 |
15 |
21 |
|
[ACT]B:860 |
3 |
1 |
183 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
829 |
34.8 |
-1.1 |
0.657 |
0 |
0 |
0 |
0.009 |
16 |
22 |
|
[ZN]B:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20204 |
34.6 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.255 |
23 |
|
[ZN]B:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20121 |
34.2 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.255 |
Average: |
34.4 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.255 |
17 |
24 |
|
[HW9]B:800 |
3 |
1 |
664 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
20121 |
32.5 |
-0.7 |
0.306 |
0 |
0 |
0 |
0.013 |
25 |
|
[HW9]A:800 |
1 |
1 |
660 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20204 |
26.4 |
-0.8 |
0.230 |
0 |
0 |
0 |
0.013 |
Average: |
29.5 |
-0.8 |
0.268 |
0 |
0 |
0 |
0.013 |
18 |
26 |
|
[HW9]A:800 |
2 |
1 |
660 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
3 |
1 |
399 |
24.4 |
0.1 |
0.263 |
1 |
0 |
0 |
0.004 |
27 |
|
[HW9]B:800 |
4 |
1 |
664 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
1 |
1 |
401 |
18.7 |
-0.1 |
0.268 |
0 |
0 |
0 |
0.004 |
Average: |
21.6 |
-0.0 |
0.265 |
1 |
0 |
0 |
0.004 |
19 |
28 |
|
B |
2 |
1 |
20204 |
x |
B |
x-1/2,-y+1/2,-z+1 |
3_456 |
4 |
3 |
20204 |
22.0 |
1.0 |
0.889 |
1 |
0 |
0 |
0.000 |
20 |
29 |
|
A |
2 |
1 |
20121 |
x |
A |
x-1/2,-y+1/2,-z |
3_455 |
1 |
1 |
20121 |
13.2 |
-0.4 |
0.231 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
A |
1 |
1 |
20121 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
20204 |
6.2 |
-0.0 |
0.596 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
A |
1 |
1 |
20121 |
x |
A |
-x,y-1/2,-z+1/2 |
4_545 |
1 |
1 |
20121 |
1.9 |
0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
|