## |
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 |
270 |
69 |
20149 |
◊ |
A |
x,y,z |
1_555 |
264 |
70 |
20141 |
2640.5 |
-39.5 |
0.005 |
38 |
10 |
0 |
0.502 |
2 |
2 |
|
A |
70 |
20 |
20141 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
67 |
19 |
20149 |
661.4 |
-0.3 |
0.747 |
14 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]A:750 |
43 |
1 |
819 |
f |
A |
x,y,z |
1_555 |
81 |
24 |
20141 |
515.4 |
-17.1 |
0.324 |
0 |
0 |
0 |
0.299 |
4 |
|
[HEM]B:750 |
43 |
1 |
818 |
f |
B |
x,y,z |
1_555 |
77 |
24 |
20149 |
512.9 |
-17.3 |
0.281 |
0 |
0 |
0 |
0.299 |
Average: |
514.1 |
-17.2 |
0.302 |
0 |
0 |
0 |
0.299 |
4 |
5 |
|
B |
49 |
14 |
20149 |
x |
B |
x-1,y,z |
1_455 |
51 |
14 |
20149 |
464.6 |
-0.9 |
0.648 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
[Y2F]B:800 |
26 |
1 |
672 |
f |
B |
x,y,z |
1_555 |
53 |
21 |
20149 |
381.9 |
0.6 |
0.439 |
2 |
0 |
0 |
0.005 |
7 |
|
[Y2F]A:800 |
26 |
1 |
666 |
f |
A |
x,y,z |
1_555 |
54 |
21 |
20141 |
373.7 |
0.5 |
0.432 |
2 |
0 |
0 |
0.005 |
Average: |
377.8 |
0.6 |
0.435 |
2 |
0 |
0 |
0.005 |
6 |
8 |
|
B |
38 |
12 |
20149 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
35 |
10 |
20141 |
325.6 |
-2.0 |
0.513 |
3 |
1 |
0 |
0.000 |
7 |
9 |
|
A |
26 |
12 |
20141 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
24 |
9 |
20149 |
193.4 |
0.4 |
0.719 |
1 |
4 |
0 |
0.000 |
8 |
10 |
|
[H4B]B:760 |
17 |
1 |
400 |
f |
B |
x,y,z |
1_555 |
27 |
8 |
20149 |
189.9 |
1.8 |
0.436 |
2 |
0 |
0 |
0.000 |
11 |
|
[H4B]A:760 |
17 |
1 |
398 |
f |
A |
x,y,z |
1_555 |
29 |
9 |
20141 |
188.3 |
1.7 |
0.438 |
2 |
0 |
0 |
0.000 |
Average: |
189.1 |
1.7 |
0.437 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
[Y2F]B:800 |
20 |
1 |
672 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
31 |
1 |
818 |
170.5 |
-3.7 |
0.678 |
4 |
0 |
0 |
0.095 |
13 |
|
[Y2F]A:800 |
19 |
1 |
666 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
31 |
1 |
819 |
168.8 |
-3.7 |
0.683 |
4 |
0 |
0 |
0.095 |
Average: |
169.6 |
-3.7 |
0.680 |
4 |
0 |
0 |
0.095 |
10 |
14 |
|
[H4B]B:760 |
13 |
1 |
400 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
20141 |
116.8 |
-0.2 |
0.257 |
1 |
0 |
0 |
0.010 |
15 |
|
[H4B]A:760 |
13 |
1 |
398 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20149 |
115.1 |
-0.1 |
0.274 |
1 |
0 |
0 |
0.010 |
Average: |
116.0 |
-0.1 |
0.265 |
1 |
0 |
0 |
0.010 |
11 |
16 |
|
[ACT]B:860 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
20149 |
113.7 |
-1.4 |
0.490 |
1 |
0 |
0 |
0.016 |
12 |
17 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
20141 |
111.7 |
-1.3 |
0.497 |
1 |
0 |
0 |
0.015 |
13 |
18 |
|
[H4B]A:760 |
4 |
1 |
398 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
819 |
40.0 |
-1.2 |
0.453 |
2 |
0 |
0 |
0.036 |
19 |
|
[H4B]B:760 |
3 |
1 |
400 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
818 |
39.8 |
-1.1 |
0.462 |
2 |
0 |
0 |
0.036 |
Average: |
39.9 |
-1.2 |
0.457 |
2 |
0 |
0 |
0.036 |
14 |
20 |
|
[ACT]A:860 |
3 |
1 |
183 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
819 |
35.7 |
-1.1 |
0.751 |
0 |
0 |
0 |
0.009 |
15 |
21 |
|
[ACT]B:860 |
3 |
1 |
182 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
818 |
34.6 |
-1.0 |
0.755 |
0 |
0 |
0 |
0.009 |
16 |
22 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20149 |
34.3 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.260 |
23 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20141 |
34.2 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.260 |
Average: |
34.2 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.260 |
17 |
24 |
|
[Y2F]A:800 |
3 |
1 |
666 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
3 |
1 |
398 |
32.0 |
0.4 |
0.296 |
1 |
0 |
0 |
0.002 |
25 |
|
[Y2F]B:800 |
3 |
1 |
672 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
3 |
1 |
400 |
31.2 |
0.3 |
0.309 |
1 |
0 |
0 |
0.002 |
Average: |
31.6 |
0.3 |
0.303 |
1 |
0 |
0 |
0.002 |
18 |
26 |
|
[Y2F]B:800 |
1 |
1 |
672 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
20141 |
30.4 |
-1.0 |
0.157 |
0 |
0 |
0 |
0.017 |
27 |
|
[Y2F]A:800 |
1 |
1 |
666 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
20149 |
29.8 |
-1.0 |
0.149 |
0 |
0 |
0 |
0.017 |
Average: |
30.1 |
-1.0 |
0.153 |
0 |
0 |
0 |
0.017 |
19 |
28 |
|
A |
3 |
1 |
20141 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
20141 |
14.6 |
-0.5 |
0.246 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
A |
3 |
1 |
20141 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
20149 |
9.7 |
0.2 |
0.728 |
0 |
0 |
0 |
0.000 |
|