| ## |
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 |
274 |
71 |
20237 |
◊ |
A |
x,y,z |
1_555 |
267 |
68 |
20051 |
2614.3 |
-38.1 |
0.009 |
40 |
9 |
0 |
0.483 |
| 2 |
2 |
|
A |
69 |
19 |
20051 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
70 |
19 |
20237 |
663.5 |
-0.6 |
0.746 |
10 |
0 |
0 |
0.000 |
| 3 |
3 |
|
[HEM]A:801 |
41 |
1 |
829 |
f |
A |
x,y,z |
1_555 |
76 |
24 |
20051 |
516.6 |
-17.8 |
0.357 |
2 |
0 |
0 |
0.315 |
4 |
|
[HEM]B:801 |
42 |
1 |
815 |
f |
B |
x,y,z |
1_555 |
77 |
22 |
20237 |
506.8 |
-17.7 |
0.324 |
2 |
0 |
0 |
0.315 |
| Average: |
511.7 |
-17.8 |
0.340 |
2 |
0 |
0 |
0.315 |
| 4 |
5 |
|
B |
50 |
15 |
20237 |
x |
B |
x-1,y,z |
1_455 |
48 |
14 |
20237 |
437.8 |
1.5 |
0.797 |
5 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[KLD]B:803 |
26 |
1 |
595 |
f |
B |
x,y,z |
1_555 |
41 |
19 |
20237 |
323.0 |
-0.9 |
0.437 |
4 |
0 |
0 |
0.055 |
7 |
|
[KLD]A:803 |
24 |
1 |
618 |
f |
A |
x,y,z |
1_555 |
44 |
19 |
20051 |
322.6 |
-2.1 |
0.377 |
4 |
0 |
0 |
0.055 |
| Average: |
322.8 |
-1.5 |
0.407 |
4 |
0 |
0 |
0.055 |
| 6 |
8 |
|
B |
38 |
11 |
20237 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
28 |
8 |
20051 |
300.2 |
-1.1 |
0.608 |
4 |
4 |
0 |
0.000 |
| 7 |
9 |
|
[H4B]B:802 |
17 |
1 |
397 |
f |
B |
x,y,z |
1_555 |
28 |
9 |
20237 |
188.4 |
1.7 |
0.446 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:802 |
17 |
1 |
394 |
f |
A |
x,y,z |
1_555 |
28 |
9 |
20051 |
186.9 |
2.1 |
0.489 |
2 |
0 |
0 |
0.000 |
| Average: |
187.7 |
1.9 |
0.467 |
2 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[KLD]B:803 |
21 |
1 |
595 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
37 |
1 |
815 |
175.2 |
-4.6 |
0.524 |
0 |
0 |
0 |
0.039 |
| 9 |
12 |
|
[KLD]A:803 |
21 |
1 |
618 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
37 |
1 |
829 |
173.0 |
-4.4 |
0.559 |
0 |
0 |
0 |
0.037 |
| 10 |
13 |
|
A |
21 |
9 |
20051 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
22 |
8 |
20237 |
167.8 |
-0.1 |
0.671 |
0 |
1 |
0 |
0.000 |
| 11 |
14 |
|
[H4B]A:802 |
14 |
1 |
394 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
20237 |
121.1 |
-0.1 |
0.261 |
1 |
0 |
0 |
0.009 |
15 |
|
[H4B]B:802 |
15 |
1 |
397 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
20051 |
120.6 |
-0.1 |
0.257 |
1 |
0 |
0 |
0.009 |
| Average: |
120.9 |
-0.1 |
0.259 |
1 |
0 |
0 |
0.009 |
| 12 |
16 |
|
[ACT]B:804 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
20237 |
114.0 |
-1.3 |
0.499 |
1 |
0 |
0 |
0.015 |
| 13 |
17 |
|
[ACT]A:804 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
20051 |
112.1 |
-1.3 |
0.503 |
1 |
0 |
0 |
0.014 |
| 14 |
18 |
|
[H4B]B:802 |
5 |
1 |
397 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
6 |
1 |
815 |
41.8 |
-0.7 |
0.536 |
2 |
0 |
0 |
0.027 |
19 |
|
[H4B]A:802 |
5 |
1 |
394 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
6 |
1 |
829 |
41.7 |
-0.7 |
0.536 |
2 |
0 |
0 |
0.027 |
| Average: |
41.8 |
-0.7 |
0.536 |
2 |
0 |
0 |
0.027 |
| 15 |
20 |
|
[ACT]A:804 |
3 |
1 |
183 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
5 |
1 |
829 |
36.8 |
-1.2 |
0.753 |
0 |
0 |
0 |
0.010 |
| 16 |
21 |
|
[ACT]B:804 |
3 |
1 |
182 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
5 |
1 |
815 |
35.2 |
-1.1 |
0.754 |
0 |
0 |
0 |
0.009 |
| 17 |
22 |
|
[ZN]B:805 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20051 |
34.3 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.255 |
23 |
|
[ZN]B:805 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20237 |
34.3 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.255 |
| Average: |
34.3 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.255 |
| 18 |
24 |
|
A |
3 |
2 |
20051 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
1 |
20237 |
28.4 |
0.1 |
0.622 |
0 |
0 |
0 |
0.000 |
| 19 |
25 |
|
[KLD]A:803 |
4 |
1 |
618 |
f |
[H4B]A:802 |
x,y,z |
1_555 |
1 |
1 |
394 |
18.1 |
-0.2 |
0.268 |
0 |
0 |
0 |
0.001 |
| 20 |
26 |
|
B |
1 |
1 |
20237 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
2 |
20237 |
16.7 |
0.8 |
0.883 |
0 |
0 |
0 |
0.000 |
| 21 |
27 |
|
[KLD]B:803 |
3 |
1 |
595 |
f |
[H4B]B:802 |
x,y,z |
1_555 |
1 |
1 |
397 |
15.8 |
-0.2 |
0.255 |
0 |
0 |
0 |
0.002 |
| 22 |
28 |
|
[KLD]A:803 |
3 |
1 |
618 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20237 |
13.0 |
-0.0 |
0.485 |
0 |
0 |
0 |
0.000 |
|