## |
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 |
20227 |
◊ |
A |
x,y,z |
1_555 |
265 |
69 |
19946 |
2589.5 |
-40.3 |
0.004 |
40 |
10 |
0 |
0.484 |
2 |
2 |
|
A |
72 |
20 |
19946 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
72 |
19 |
20227 |
667.5 |
-0.7 |
0.737 |
9 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]A:750 |
42 |
1 |
819 |
f |
A |
x,y,z |
1_555 |
77 |
25 |
19946 |
529.9 |
-18.2 |
0.272 |
1 |
0 |
0 |
0.299 |
4 |
|
[HEM]B:750 |
43 |
1 |
811 |
f |
B |
x,y,z |
1_555 |
77 |
24 |
20227 |
524.9 |
-17.7 |
0.307 |
1 |
0 |
0 |
0.299 |
Average: |
527.4 |
-17.9 |
0.290 |
1 |
0 |
0 |
0.299 |
4 |
5 |
|
B |
54 |
16 |
20227 |
x |
B |
x-1,y,z |
1_455 |
54 |
15 |
20227 |
493.4 |
0.2 |
0.694 |
5 |
0 |
0 |
0.000 |
5 |
6 |
|
[9HL]B:800 |
24 |
1 |
588 |
f |
B |
x,y,z |
1_555 |
46 |
17 |
20227 |
302.0 |
-2.8 |
0.283 |
0 |
0 |
0 |
0.047 |
7 |
|
[9HL]A:800 |
24 |
1 |
587 |
f |
A |
x,y,z |
1_555 |
41 |
17 |
19946 |
293.6 |
-3.0 |
0.243 |
0 |
0 |
0 |
0.047 |
Average: |
297.8 |
-2.9 |
0.263 |
0 |
0 |
0 |
0.047 |
6 |
8 |
|
B |
40 |
11 |
20227 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
34 |
9 |
19946 |
278.0 |
-2.8 |
0.438 |
1 |
1 |
0 |
0.000 |
7 |
9 |
|
A |
25 |
11 |
19946 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
23 |
7 |
20227 |
201.1 |
1.3 |
0.757 |
3 |
3 |
0 |
0.000 |
8 |
10 |
|
[H4B]A:760 |
17 |
1 |
397 |
f |
A |
x,y,z |
1_555 |
28 |
9 |
19946 |
189.4 |
2.0 |
0.458 |
2 |
0 |
0 |
0.000 |
11 |
|
[H4B]B:760 |
17 |
1 |
396 |
f |
B |
x,y,z |
1_555 |
27 |
8 |
20227 |
188.3 |
1.9 |
0.438 |
2 |
0 |
0 |
0.000 |
Average: |
188.9 |
1.9 |
0.448 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
[9HL]B:800 |
12 |
1 |
588 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
25 |
1 |
811 |
136.0 |
-5.2 |
0.514 |
2 |
0 |
0 |
0.097 |
13 |
|
[9HL]A:800 |
13 |
1 |
587 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
27 |
1 |
819 |
135.6 |
-5.0 |
0.527 |
2 |
0 |
0 |
0.097 |
Average: |
135.8 |
-5.1 |
0.521 |
2 |
0 |
0 |
0.097 |
10 |
14 |
|
[H4B]B:760 |
13 |
1 |
396 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
19946 |
119.5 |
-0.1 |
0.265 |
1 |
0 |
0 |
0.010 |
15 |
|
[H4B]A:760 |
13 |
1 |
397 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20227 |
115.6 |
-0.2 |
0.265 |
1 |
0 |
0 |
0.010 |
Average: |
117.6 |
-0.1 |
0.265 |
1 |
0 |
0 |
0.010 |
11 |
16 |
|
[ACT]B:860 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
20227 |
113.5 |
-1.3 |
0.500 |
1 |
0 |
0 |
0.014 |
12 |
17 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
19946 |
113.1 |
-1.4 |
0.471 |
1 |
0 |
0 |
0.015 |
13 |
18 |
|
[H4B]A:760 |
5 |
1 |
397 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
819 |
43.4 |
-1.2 |
0.422 |
2 |
0 |
0 |
0.035 |
19 |
|
[H4B]B:760 |
5 |
1 |
396 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
811 |
41.7 |
-1.3 |
0.414 |
2 |
0 |
0 |
0.035 |
Average: |
42.6 |
-1.3 |
0.418 |
2 |
0 |
0 |
0.035 |
14 |
20 |
|
[9HL]A:800 |
4 |
1 |
587 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
20227 |
42.2 |
0.7 |
0.456 |
0 |
0 |
0 |
0.000 |
21 |
|
[9HL]B:800 |
3 |
1 |
588 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
19946 |
40.5 |
0.8 |
0.488 |
0 |
0 |
0 |
0.000 |
Average: |
41.3 |
0.7 |
0.472 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
[ACT]A:860 |
3 |
1 |
183 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
819 |
38.7 |
-1.2 |
0.753 |
0 |
0 |
0 |
0.010 |
16 |
23 |
|
[ZN]A:1717 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20227 |
34.7 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.248 |
24 |
|
[ZN]A:1717 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19946 |
34.3 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.248 |
Average: |
34.5 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.248 |
17 |
25 |
|
[ACT]B:860 |
3 |
1 |
182 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
811 |
33.7 |
-1.0 |
0.754 |
0 |
0 |
0 |
0.008 |
18 |
26 |
|
A |
6 |
3 |
19946 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
2 |
20227 |
24.7 |
-0.1 |
0.497 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
[9HL]A:800 |
2 |
1 |
587 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
3 |
1 |
397 |
20.4 |
-0.7 |
0.233 |
0 |
0 |
0 |
0.010 |
28 |
|
[9HL]B:800 |
1 |
1 |
588 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
3 |
1 |
396 |
17.6 |
-0.6 |
0.242 |
0 |
0 |
0 |
0.010 |
Average: |
19.0 |
-0.6 |
0.238 |
0 |
0 |
0 |
0.010 |
20 |
29 |
|
B |
3 |
2 |
20227 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
3 |
20227 |
19.5 |
0.9 |
0.859 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
A |
2 |
1 |
19946 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
19946 |
5.7 |
0.3 |
0.779 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
A |
1 |
1 |
19946 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
19946 |
4.6 |
-0.1 |
0.347 |
0 |
0 |
0 |
0.000 |
|