## |
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 |
265 |
69 |
20240 |
◊ |
A |
x,y,z |
1_555 |
262 |
69 |
20133 |
2610.3 |
-38.1 |
0.008 |
36 |
10 |
0 |
0.451 |
2 |
2 |
|
A |
65 |
19 |
20133 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
69 |
19 |
20240 |
666.7 |
-0.4 |
0.746 |
16 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]A:750 |
43 |
1 |
817 |
f |
A |
x,y,z |
1_555 |
78 |
23 |
20133 |
511.3 |
-17.4 |
0.344 |
2 |
0 |
0 |
0.297 |
4 |
|
[HEM]B:750 |
43 |
1 |
811 |
f |
B |
x,y,z |
1_555 |
79 |
24 |
20240 |
509.0 |
-17.5 |
0.345 |
2 |
0 |
0 |
0.297 |
Average: |
510.2 |
-17.4 |
0.344 |
2 |
0 |
0 |
0.297 |
4 |
5 |
|
B |
47 |
15 |
20240 |
x |
B |
x-1,y,z |
1_455 |
58 |
15 |
20240 |
474.1 |
0.4 |
0.719 |
3 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
36 |
10 |
20240 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
4_645 |
32 |
8 |
20133 |
306.7 |
-1.7 |
0.495 |
2 |
2 |
0 |
0.000 |
6 |
7 |
|
[M87]A:800 |
22 |
1 |
533 |
f |
A |
x,y,z |
1_555 |
33 |
15 |
20133 |
265.2 |
-3.1 |
0.327 |
3 |
0 |
0 |
0.071 |
8 |
|
[M87]B:800 |
21 |
1 |
533 |
f |
B |
x,y,z |
1_555 |
32 |
15 |
20240 |
263.9 |
-2.9 |
0.326 |
3 |
0 |
0 |
0.071 |
Average: |
264.6 |
-3.0 |
0.326 |
3 |
0 |
0 |
0.071 |
7 |
9 |
|
[H4B]B:760 |
17 |
1 |
403 |
f |
B |
x,y,z |
1_555 |
30 |
9 |
20240 |
198.6 |
2.0 |
0.450 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:760 |
17 |
1 |
402 |
f |
A |
x,y,z |
1_555 |
29 |
9 |
20133 |
193.1 |
2.0 |
0.448 |
2 |
0 |
0 |
0.000 |
Average: |
195.9 |
2.0 |
0.449 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
A |
20 |
12 |
20133 |
◊ |
B |
-x,y-1/2,-z+1/2 |
4_545 |
21 |
7 |
20240 |
165.5 |
0.5 |
0.719 |
2 |
3 |
0 |
0.000 |
9 |
12 |
|
[M87]A:800 |
16 |
1 |
533 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
30 |
1 |
817 |
155.3 |
-6.1 |
0.679 |
1 |
0 |
0 |
0.108 |
13 |
|
[M87]B:800 |
16 |
1 |
533 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
30 |
1 |
811 |
153.1 |
-5.9 |
0.655 |
2 |
0 |
0 |
0.108 |
Average: |
154.2 |
-6.0 |
0.667 |
2 |
0 |
0 |
0.108 |
10 |
14 |
|
[H4B]B:760 |
13 |
1 |
403 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
20133 |
119.5 |
-0.1 |
0.274 |
1 |
0 |
0 |
0.009 |
15 |
|
[H4B]A:760 |
14 |
1 |
402 |
◊ |
B |
x,y,z |
1_555 |
23 |
6 |
20240 |
119.4 |
-0.1 |
0.260 |
1 |
0 |
0 |
0.009 |
Average: |
119.4 |
-0.1 |
0.267 |
1 |
0 |
0 |
0.009 |
11 |
16 |
|
[ACT]B:860 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
20240 |
113.0 |
-1.3 |
0.500 |
1 |
0 |
0 |
0.014 |
12 |
17 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
20133 |
109.1 |
-1.3 |
0.509 |
1 |
0 |
0 |
0.014 |
13 |
18 |
|
[H4B]B:760 |
4 |
1 |
403 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
811 |
41.2 |
-1.2 |
0.450 |
2 |
0 |
0 |
0.034 |
19 |
|
[H4B]A:760 |
4 |
1 |
402 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
817 |
40.6 |
-1.2 |
0.454 |
2 |
0 |
0 |
0.034 |
Average: |
40.9 |
-1.2 |
0.452 |
2 |
0 |
0 |
0.034 |
14 |
20 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
817 |
38.7 |
-1.2 |
0.752 |
0 |
0 |
0 |
0.010 |
15 |
21 |
|
[ACT]B:860 |
3 |
1 |
183 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
811 |
36.0 |
-1.1 |
0.752 |
0 |
0 |
0 |
0.009 |
16 |
22 |
|
[ZN]A:1717 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20133 |
34.6 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.248 |
23 |
|
[ZN]A:1717 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20240 |
34.5 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.248 |
Average: |
34.5 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.248 |
17 |
24 |
|
[M87]B:800 |
4 |
1 |
533 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
20133 |
34.6 |
0.3 |
0.507 |
0 |
0 |
0 |
0.000 |
25 |
|
[M87]A:800 |
4 |
1 |
533 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
20240 |
31.5 |
0.3 |
0.451 |
0 |
0 |
0 |
0.000 |
Average: |
33.0 |
0.3 |
0.479 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
B |
2 |
1 |
20240 |
x |
B |
x-1/2,-y+1/2,-z+1 |
3_456 |
4 |
3 |
20240 |
21.4 |
1.0 |
0.880 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
[M87]A:800 |
3 |
1 |
533 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
3 |
1 |
402 |
16.9 |
-0.4 |
0.316 |
0 |
0 |
0 |
0.007 |
28 |
|
[M87]B:800 |
3 |
1 |
533 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
3 |
1 |
403 |
15.5 |
-0.4 |
0.327 |
0 |
0 |
0 |
0.007 |
Average: |
16.2 |
-0.4 |
0.321 |
0 |
0 |
0 |
0.007 |
20 |
29 |
|
A |
2 |
1 |
20133 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
1 |
20240 |
16.1 |
-0.0 |
0.639 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
A |
1 |
1 |
20133 |
x |
A |
x-1/2,-y+1/2,-z |
3_455 |
1 |
1 |
20133 |
6.1 |
-0.2 |
0.303 |
0 |
0 |
0 |
0.000 |
|