| ## |
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 |
267 |
69 |
20170 |
◊ |
A |
x,y,z |
1_555 |
266 |
69 |
19941 |
2605.5 |
-39.4 |
0.004 |
38 |
10 |
0 |
0.477 |
| 2 |
2 |
|
A |
69 |
19 |
19941 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
71 |
20 |
20170 |
669.7 |
-1.0 |
0.707 |
10 |
0 |
0 |
0.000 |
| 3 |
3 |
|
[HEM]B:750 |
43 |
1 |
815 |
f |
B |
x,y,z |
1_555 |
80 |
24 |
20170 |
529.6 |
-18.0 |
0.319 |
1 |
0 |
0 |
0.304 |
4 |
|
[HEM]A:750 |
42 |
1 |
815 |
f |
A |
x,y,z |
1_555 |
75 |
24 |
19941 |
526.0 |
-17.9 |
0.266 |
1 |
0 |
0 |
0.304 |
| Average: |
527.8 |
-18.0 |
0.292 |
1 |
0 |
0 |
0.304 |
| 4 |
5 |
|
B |
53 |
15 |
20170 |
x |
B |
x-1,y,z |
1_455 |
55 |
15 |
20170 |
487.8 |
0.5 |
0.756 |
7 |
0 |
0 |
0.000 |
| 5 |
6 |
|
B |
41 |
10 |
20170 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
30 |
8 |
19941 |
291.1 |
-1.7 |
0.543 |
2 |
1 |
0 |
0.000 |
| 6 |
7 |
|
[EG8]A:800 |
22 |
1 |
556 |
f |
A |
x,y,z |
1_555 |
40 |
15 |
19941 |
288.8 |
-3.2 |
0.258 |
0 |
0 |
0 |
0.052 |
8 |
|
[EG8]B:800 |
23 |
1 |
560 |
f |
B |
x,y,z |
1_555 |
43 |
19 |
20170 |
275.2 |
-3.1 |
0.315 |
0 |
0 |
0 |
0.052 |
| Average: |
282.0 |
-3.1 |
0.287 |
0 |
0 |
0 |
0.052 |
| 7 |
9 |
|
[H4B]B:760 |
17 |
1 |
398 |
f |
B |
x,y,z |
1_555 |
30 |
9 |
20170 |
194.7 |
2.1 |
0.461 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:760 |
17 |
1 |
398 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
19941 |
193.7 |
2.0 |
0.446 |
2 |
0 |
0 |
0.000 |
| Average: |
194.2 |
2.0 |
0.454 |
2 |
0 |
0 |
0.000 |
| 8 |
11 |
|
A |
24 |
11 |
19941 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
23 |
8 |
20170 |
188.0 |
1.4 |
0.777 |
2 |
3 |
0 |
0.000 |
| 9 |
12 |
|
[EG8]A:800 |
11 |
1 |
556 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
27 |
1 |
815 |
134.9 |
-4.6 |
0.657 |
2 |
0 |
0 |
0.091 |
13 |
|
[EG8]B:800 |
11 |
1 |
560 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
24 |
1 |
815 |
133.5 |
-4.6 |
0.598 |
2 |
0 |
0 |
0.091 |
| Average: |
134.2 |
-4.6 |
0.628 |
2 |
0 |
0 |
0.091 |
| 10 |
14 |
|
[H4B]B:760 |
13 |
1 |
398 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
19941 |
119.1 |
-0.1 |
0.268 |
1 |
0 |
0 |
0.009 |
15 |
|
[H4B]A:760 |
13 |
1 |
398 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
20170 |
117.8 |
-0.1 |
0.270 |
1 |
0 |
0 |
0.009 |
| Average: |
118.4 |
-0.1 |
0.269 |
1 |
0 |
0 |
0.009 |
| 11 |
16 |
|
[ACT]B:860 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
20170 |
115.5 |
-1.3 |
0.515 |
1 |
0 |
0 |
0.014 |
| 12 |
17 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
19941 |
109.4 |
-1.2 |
0.495 |
1 |
0 |
0 |
0.014 |
| 13 |
18 |
|
[EG8]B:800 |
3 |
1 |
560 |
◊ |
A |
x,y,z |
1_555 |
9 |
1 |
19941 |
45.0 |
-0.6 |
0.441 |
0 |
0 |
0 |
0.010 |
19 |
|
[EG8]A:800 |
3 |
1 |
556 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
20170 |
39.1 |
-0.5 |
0.404 |
0 |
0 |
0 |
0.010 |
| Average: |
42.1 |
-0.6 |
0.422 |
0 |
0 |
0 |
0.010 |
| 14 |
20 |
|
[H4B]A:760 |
5 |
1 |
398 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
815 |
42.8 |
-1.2 |
0.428 |
1 |
0 |
0 |
0.032 |
21 |
|
[H4B]B:760 |
5 |
1 |
398 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
815 |
42.0 |
-1.3 |
0.420 |
2 |
0 |
0 |
0.032 |
| Average: |
42.4 |
-1.3 |
0.424 |
2 |
0 |
0 |
0.032 |
| 15 |
22 |
|
[ACT]A:860 |
3 |
1 |
183 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
815 |
39.2 |
-1.2 |
0.748 |
0 |
0 |
0 |
0.010 |
| 16 |
23 |
|
[ZN]A:1717 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20170 |
34.4 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.251 |
24 |
|
[ZN]A:1717 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19941 |
34.0 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.251 |
| Average: |
34.2 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.251 |
| 17 |
25 |
|
[ACT]B:860 |
3 |
1 |
182 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
815 |
30.0 |
-0.8 |
0.814 |
0 |
0 |
0 |
0.006 |
| 18 |
26 |
|
B |
3 |
2 |
20170 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
4 |
20170 |
29.2 |
1.3 |
0.877 |
0 |
0 |
0 |
0.000 |
| 19 |
27 |
|
A |
4 |
2 |
19941 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
2 |
20170 |
21.5 |
-0.0 |
0.537 |
0 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[EG8]B:800 |
7 |
1 |
560 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
1 |
1 |
398 |
15.8 |
0.1 |
0.280 |
0 |
0 |
0 |
0.000 |
| 21 |
29 |
|
[EG8]A:800 |
4 |
1 |
556 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
1 |
1 |
398 |
10.8 |
0.0 |
0.280 |
0 |
0 |
0 |
0.000 |
| 22 |
30 |
|
A |
2 |
1 |
19941 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
19941 |
6.4 |
-0.5 |
0.177 |
0 |
0 |
0 |
0.000 |
| 23 |
31 |
|
A |
1 |
1 |
19941 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
19941 |
4.1 |
-0.1 |
0.363 |
0 |
0 |
0 |
0.000 |
|