## |
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 |
266 |
70 |
20452 |
◊ |
A |
x,y,z |
1_555 |
265 |
68 |
20260 |
2608.8 |
-38.6 |
0.007 |
35 |
10 |
0 |
0.418 |
2 |
2 |
|
A |
71 |
21 |
20260 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
69 |
19 |
20452 |
661.4 |
-0.8 |
0.721 |
18 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:750 |
43 |
1 |
817 |
f |
B |
x,y,z |
1_555 |
78 |
24 |
20452 |
516.2 |
-17.8 |
0.297 |
3 |
0 |
0 |
0.284 |
4 |
|
[HEM]A:750 |
43 |
1 |
822 |
f |
A |
x,y,z |
1_555 |
80 |
24 |
20260 |
515.8 |
-17.9 |
0.334 |
2 |
0 |
0 |
0.284 |
Average: |
516.0 |
-17.8 |
0.316 |
3 |
0 |
0 |
0.284 |
4 |
5 |
|
B |
50 |
15 |
20452 |
x |
B |
x-1,y,z |
1_455 |
52 |
15 |
20452 |
445.3 |
0.6 |
0.762 |
5 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
38 |
12 |
20452 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
4_645 |
33 |
9 |
20260 |
310.9 |
-3.2 |
0.377 |
3 |
1 |
0 |
0.000 |
6 |
7 |
|
[M68]B:800 |
23 |
1 |
576 |
f |
B |
x,y,z |
1_555 |
38 |
16 |
20452 |
289.4 |
-4.7 |
0.363 |
3 |
0 |
0 |
0.088 |
8 |
|
[M68]A:800 |
23 |
1 |
574 |
f |
A |
x,y,z |
1_555 |
38 |
16 |
20260 |
287.2 |
-4.4 |
0.379 |
3 |
0 |
0 |
0.088 |
Average: |
288.3 |
-4.6 |
0.371 |
3 |
0 |
0 |
0.088 |
7 |
9 |
|
[H4B]B:760 |
17 |
1 |
401 |
f |
B |
x,y,z |
1_555 |
27 |
8 |
20452 |
197.0 |
1.9 |
0.439 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:760 |
17 |
1 |
399 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
20260 |
195.2 |
1.9 |
0.455 |
2 |
0 |
0 |
0.000 |
Average: |
196.1 |
1.9 |
0.447 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
A |
22 |
10 |
20260 |
◊ |
B |
-x,y-1/2,-z+1/2 |
4_545 |
26 |
7 |
20452 |
166.7 |
-0.4 |
0.643 |
0 |
0 |
0 |
0.000 |
9 |
12 |
|
[M68]B:800 |
17 |
1 |
576 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
30 |
1 |
817 |
162.3 |
-6.5 |
0.860 |
0 |
0 |
0 |
0.097 |
13 |
|
[M68]A:800 |
17 |
1 |
574 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
31 |
1 |
822 |
159.2 |
-6.4 |
0.874 |
0 |
0 |
0 |
0.097 |
Average: |
160.8 |
-6.5 |
0.867 |
0 |
0 |
0 |
0.097 |
10 |
14 |
|
[H4B]B:760 |
13 |
1 |
401 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
20260 |
120.1 |
-0.1 |
0.268 |
1 |
0 |
0 |
0.008 |
15 |
|
[H4B]A:760 |
13 |
1 |
399 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20452 |
119.7 |
-0.1 |
0.270 |
1 |
0 |
0 |
0.008 |
Average: |
119.9 |
-0.1 |
0.269 |
1 |
0 |
0 |
0.008 |
11 |
16 |
|
[ACT]B:860 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
20452 |
114.4 |
-1.3 |
0.503 |
1 |
0 |
0 |
0.013 |
12 |
17 |
|
[ACT]A:860 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
20260 |
110.7 |
-1.3 |
0.496 |
1 |
0 |
0 |
0.013 |
13 |
18 |
|
[H4B]B:760 |
3 |
1 |
401 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
817 |
40.7 |
-1.2 |
0.447 |
2 |
0 |
0 |
0.031 |
19 |
|
[H4B]A:760 |
4 |
1 |
399 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
822 |
40.6 |
-1.2 |
0.459 |
2 |
0 |
0 |
0.031 |
Average: |
40.7 |
-1.2 |
0.453 |
2 |
0 |
0 |
0.031 |
14 |
20 |
|
[M68]A:800 |
3 |
1 |
574 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
20452 |
40.4 |
-2.6 |
0.183 |
0 |
0 |
0 |
0.042 |
21 |
|
[M68]B:800 |
3 |
1 |
576 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
20260 |
39.3 |
-2.9 |
0.181 |
0 |
0 |
0 |
0.042 |
Average: |
39.8 |
-2.8 |
0.182 |
0 |
0 |
0 |
0.042 |
15 |
22 |
|
[ACT]A:860 |
3 |
1 |
182 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
822 |
36.7 |
-1.2 |
0.756 |
0 |
0 |
0 |
0.009 |
16 |
23 |
|
[ZN]A:1717 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20452 |
34.4 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.233 |
24 |
|
[ZN]A:1717 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20260 |
34.3 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.233 |
Average: |
34.4 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.233 |
17 |
25 |
|
[ACT]B:860 |
3 |
1 |
183 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
817 |
33.3 |
-1.0 |
0.755 |
0 |
0 |
0 |
0.007 |
18 |
26 |
|
A |
3 |
1 |
20260 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
20452 |
14.1 |
0.1 |
0.688 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
[M68]B:800 |
4 |
1 |
576 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
1 |
1 |
401 |
11.2 |
-0.3 |
0.305 |
0 |
0 |
0 |
0.005 |
28 |
|
[M68]A:800 |
3 |
1 |
574 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
1 |
1 |
399 |
11.0 |
-0.3 |
0.303 |
0 |
0 |
0 |
0.005 |
Average: |
11.1 |
-0.3 |
0.304 |
0 |
0 |
0 |
0.005 |
20 |
29 |
|
A |
1 |
1 |
20260 |
x |
A |
-x,y-1/2,-z+1/2 |
4_545 |
1 |
1 |
20260 |
2.7 |
0.2 |
0.827 |
0 |
0 |
0 |
0.000 |
|