## |
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 |
280 |
70 |
20090 |
◊ |
A |
x,y,z |
1_555 |
289 |
76 |
19882 |
2723.5 |
-38.9 |
0.007 |
33 |
8 |
0 |
0.466 |
2 |
2 |
|
A |
91 |
27 |
19882 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
88 |
28 |
20090 |
746.2 |
-0.2 |
0.764 |
5 |
3 |
0 |
0.000 |
3 |
3 |
|
[HEM]A:700 |
43 |
1 |
817 |
f |
A |
x,y,z |
1_555 |
78 |
23 |
19882 |
515.3 |
-17.9 |
0.293 |
1 |
0 |
0 |
0.313 |
4 |
|
[HEM]B:700 |
42 |
1 |
813 |
f |
B |
x,y,z |
1_555 |
78 |
25 |
20090 |
514.1 |
-18.0 |
0.287 |
1 |
0 |
0 |
0.313 |
Average: |
514.7 |
-18.0 |
0.290 |
1 |
0 |
0 |
0.313 |
4 |
5 |
|
A |
57 |
16 |
19882 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
51 |
14 |
19882 |
426.0 |
-4.7 |
0.345 |
1 |
0 |
0 |
0.000 |
5 |
6 |
|
[DP9]A:799 |
23 |
1 |
561 |
f |
A |
x,y,z |
1_555 |
46 |
21 |
19882 |
300.2 |
1.7 |
0.603 |
6 |
0 |
0 |
0.022 |
7 |
|
[DP9]B:800 |
23 |
1 |
563 |
f |
B |
x,y,z |
1_555 |
50 |
22 |
20090 |
300.0 |
1.5 |
0.620 |
7 |
0 |
0 |
0.022 |
Average: |
300.1 |
1.6 |
0.612 |
7 |
0 |
0 |
0.022 |
6 |
8 |
|
B |
29 |
11 |
20090 |
x |
B |
x-1,y,z |
1_455 |
26 |
9 |
20090 |
273.4 |
-4.0 |
0.200 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
[H4B]B:761 |
17 |
1 |
399 |
f |
B |
x,y,z |
1_555 |
28 |
10 |
20090 |
177.0 |
2.4 |
0.490 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:760 |
17 |
1 |
399 |
f |
A |
x,y,z |
1_555 |
29 |
10 |
19882 |
176.6 |
2.4 |
0.507 |
2 |
0 |
0 |
0.000 |
Average: |
176.8 |
2.4 |
0.498 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[DP9]A:799 |
17 |
1 |
561 |
f |
[HEM]A:700 |
x,y,z |
1_555 |
32 |
1 |
817 |
153.0 |
-3.3 |
0.690 |
2 |
0 |
0 |
0.072 |
12 |
|
[DP9]B:800 |
17 |
1 |
563 |
f |
[HEM]B:700 |
x,y,z |
1_555 |
32 |
1 |
813 |
150.5 |
-3.4 |
0.695 |
2 |
0 |
0 |
0.072 |
Average: |
151.8 |
-3.4 |
0.692 |
2 |
0 |
0 |
0.072 |
9 |
13 |
|
[ACT]A:860 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
19882 |
112.3 |
-1.3 |
0.491 |
2 |
0 |
0 |
0.019 |
10 |
14 |
|
[H4B]A:760 |
13 |
1 |
399 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20090 |
111.9 |
-0.1 |
0.272 |
1 |
0 |
0 |
0.010 |
15 |
|
[H4B]B:761 |
13 |
1 |
399 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
19882 |
111.5 |
-0.2 |
0.264 |
1 |
0 |
0 |
0.010 |
Average: |
111.7 |
-0.1 |
0.268 |
1 |
0 |
0 |
0.010 |
11 |
16 |
|
[ACT]B:861 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
20090 |
102.9 |
-1.3 |
0.503 |
2 |
0 |
0 |
0.019 |
12 |
17 |
|
[GOL]A:880 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
19882 |
83.6 |
1.0 |
0.798 |
3 |
0 |
0 |
0.003 |
13 |
18 |
|
[GOL]B:881 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
20090 |
83.4 |
0.1 |
0.636 |
3 |
0 |
0 |
0.010 |
14 |
19 |
|
[ACT]B:862 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
20090 |
70.8 |
-0.4 |
0.652 |
0 |
0 |
0 |
0.004 |
15 |
20 |
|
A |
7 |
4 |
19882 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
2 |
20090 |
63.1 |
-0.5 |
0.467 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
[GOL]B:881 |
5 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
16 |
3 |
19882 |
59.8 |
-0.4 |
0.547 |
0 |
0 |
0 |
0.003 |
17 |
22 |
|
[GOL]A:880 |
4 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
15 |
3 |
20090 |
59.2 |
-0.2 |
0.603 |
0 |
0 |
0 |
0.001 |
18 |
23 |
|
[GOL]A:880 |
5 |
1 |
218 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
7 |
1 |
399 |
41.6 |
0.2 |
0.331 |
4 |
0 |
0 |
0.013 |
19 |
24 |
|
[GOL]B:881 |
4 |
1 |
218 |
f |
[H4B]B:761 |
x,y,z |
1_555 |
6 |
1 |
399 |
40.1 |
-0.2 |
0.269 |
3 |
0 |
0 |
0.013 |
20 |
25 |
|
[H4B]A:760 |
5 |
1 |
399 |
f |
[HEM]A:700 |
x,y,z |
1_555 |
5 |
1 |
817 |
40.0 |
-1.2 |
0.426 |
2 |
0 |
0 |
0.036 |
26 |
|
[H4B]B:761 |
5 |
1 |
399 |
f |
[HEM]B:700 |
x,y,z |
1_555 |
5 |
1 |
813 |
39.9 |
-1.2 |
0.417 |
2 |
0 |
0 |
0.036 |
Average: |
40.0 |
-1.2 |
0.422 |
2 |
0 |
0 |
0.036 |
21 |
27 |
|
[HEM]A:700 |
5 |
1 |
817 |
f |
[ACT]A:860 |
x,y,z |
1_555 |
3 |
1 |
184 |
35.6 |
-1.1 |
0.752 |
0 |
0 |
0 |
0.009 |
22 |
28 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20090 |
34.6 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.257 |
29 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19882 |
34.4 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.257 |
Average: |
34.5 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.257 |
23 |
30 |
|
[HEM]B:700 |
5 |
1 |
813 |
f |
[ACT]B:861 |
x,y,z |
1_555 |
3 |
1 |
183 |
29.5 |
-0.8 |
0.811 |
0 |
0 |
0 |
0.007 |
24 |
31 |
|
[ACT]B:862 |
3 |
1 |
183 |
f |
[ACT]B:861 |
x,y,z |
1_555 |
3 |
1 |
183 |
27.9 |
0.3 |
0.776 |
0 |
0 |
0 |
0.000 |
25 |
32 |
|
[GOL]B:881 |
3 |
1 |
218 |
f |
[DP9]B:800 |
x,y,z |
1_555 |
5 |
1 |
563 |
27.7 |
0.4 |
0.603 |
2 |
0 |
0 |
0.004 |
26 |
33 |
|
[GOL]A:880 |
5 |
1 |
218 |
f |
[DP9]A:799 |
x,y,z |
1_555 |
5 |
1 |
561 |
23.5 |
-0.1 |
0.467 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
B |
6 |
2 |
20090 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
19882 |
18.1 |
0.7 |
0.837 |
0 |
0 |
0 |
0.000 |
28 |
35 |
|
[DP9]B:800 |
3 |
1 |
563 |
f |
[H4B]B:761 |
x,y,z |
1_555 |
2 |
1 |
399 |
12.1 |
-0.1 |
0.331 |
0 |
0 |
0 |
0.002 |
36 |
|
[DP9]A:799 |
3 |
1 |
561 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
1 |
1 |
399 |
10.9 |
-0.1 |
0.241 |
0 |
0 |
0 |
0.002 |
Average: |
11.5 |
-0.1 |
0.286 |
0 |
0 |
0 |
0.002 |
29 |
37 |
|
[DP9]A:799 |
1 |
1 |
561 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
20090 |
2.6 |
-0.0 |
0.465 |
0 |
0 |
0 |
0.000 |
38 |
|
[DP9]B:800 |
1 |
1 |
563 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
19882 |
2.5 |
-0.0 |
0.535 |
0 |
0 |
0 |
0.000 |
Average: |
2.5 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
30 |
39 |
|
A |
1 |
1 |
19882 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
19882 |
0.1 |
-0.0 |
0.641 |
0 |
0 |
0 |
0.000 |
|