## |
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 |
273 |
72 |
20179 |
◊ |
A |
x,y,z |
1_555 |
266 |
70 |
20116 |
2641.4 |
-38.7 |
0.008 |
37 |
10 |
0 |
0.452 |
2 |
2 |
|
A |
69 |
19 |
20116 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
69 |
19 |
20179 |
651.7 |
-1.1 |
0.698 |
14 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:750 |
43 |
1 |
820 |
f |
B |
x,y,z |
1_555 |
78 |
24 |
20179 |
512.0 |
-17.1 |
0.303 |
0 |
0 |
0 |
0.272 |
4 |
|
[HEM]A:750 |
43 |
1 |
819 |
f |
A |
x,y,z |
1_555 |
81 |
24 |
20116 |
510.9 |
-16.9 |
0.334 |
0 |
0 |
0 |
0.272 |
Average: |
511.5 |
-17.0 |
0.318 |
0 |
0 |
0 |
0.272 |
4 |
5 |
|
B |
48 |
14 |
20179 |
x |
B |
x-1,y,z |
1_455 |
52 |
15 |
20179 |
453.5 |
-0.9 |
0.638 |
3 |
0 |
0 |
0.000 |
5 |
6 |
|
[8BX]B:800 |
27 |
1 |
681 |
f |
B |
x,y,z |
1_555 |
55 |
21 |
20179 |
381.2 |
-4.2 |
0.443 |
0 |
0 |
0 |
0.067 |
7 |
|
[8BX]A:800 |
27 |
1 |
678 |
f |
A |
x,y,z |
1_555 |
56 |
22 |
20116 |
378.5 |
-4.1 |
0.454 |
0 |
0 |
0 |
0.067 |
Average: |
379.8 |
-4.2 |
0.449 |
0 |
0 |
0 |
0.067 |
6 |
8 |
|
B |
36 |
11 |
20179 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
34 |
11 |
20116 |
322.0 |
-2.0 |
0.490 |
3 |
1 |
0 |
0.000 |
7 |
9 |
|
A |
25 |
12 |
20116 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
22 |
9 |
20179 |
196.4 |
0.3 |
0.698 |
1 |
3 |
0 |
0.000 |
8 |
10 |
|
[H4B]B:760 |
17 |
1 |
399 |
f |
B |
x,y,z |
1_555 |
28 |
9 |
20179 |
190.0 |
1.8 |
0.454 |
2 |
0 |
0 |
0.000 |
11 |
|
[H4B]A:760 |
17 |
1 |
399 |
f |
A |
x,y,z |
1_555 |
28 |
9 |
20116 |
189.9 |
1.7 |
0.450 |
2 |
0 |
0 |
0.000 |
Average: |
190.0 |
1.8 |
0.452 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
[8BX]B:800 |
20 |
1 |
681 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
30 |
1 |
820 |
178.5 |
-5.7 |
0.730 |
4 |
0 |
0 |
0.120 |
13 |
|
[8BX]A:800 |
20 |
1 |
678 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
32 |
1 |
819 |
177.2 |
-5.8 |
0.728 |
4 |
0 |
0 |
0.120 |
Average: |
177.9 |
-5.8 |
0.729 |
4 |
0 |
0 |
0.120 |
10 |
14 |
|
[H4B]B:760 |
13 |
1 |
399 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
20116 |
116.2 |
-0.2 |
0.269 |
1 |
0 |
0 |
0.009 |
15 |
|
[H4B]A:760 |
13 |
1 |
399 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
20179 |
115.5 |
-0.1 |
0.287 |
1 |
0 |
0 |
0.009 |
Average: |
115.9 |
-0.1 |
0.278 |
1 |
0 |
0 |
0.009 |
11 |
16 |
|
[ACT]B:860 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
20179 |
113.8 |
-1.4 |
0.481 |
1 |
0 |
0 |
0.015 |
12 |
17 |
|
[ACT]A:860 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
20116 |
113.2 |
-1.4 |
0.488 |
1 |
0 |
0 |
0.015 |
13 |
18 |
|
[H4B]A:760 |
4 |
1 |
399 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
819 |
40.5 |
-1.2 |
0.461 |
2 |
0 |
0 |
0.029 |
19 |
|
[H4B]B:760 |
4 |
1 |
399 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
820 |
40.3 |
-1.2 |
0.461 |
1 |
0 |
0 |
0.029 |
Average: |
40.4 |
-1.2 |
0.461 |
2 |
0 |
0 |
0.029 |
14 |
20 |
|
[ACT]B:860 |
3 |
1 |
183 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
820 |
34.8 |
-1.1 |
0.754 |
0 |
0 |
0 |
0.009 |
15 |
21 |
|
[ACT]A:860 |
3 |
1 |
182 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
819 |
34.4 |
-1.0 |
0.754 |
0 |
0 |
0 |
0.008 |
16 |
22 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20179 |
34.4 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.244 |
23 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20116 |
34.3 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.244 |
Average: |
34.3 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.244 |
17 |
24 |
|
[8BX]B:800 |
1 |
1 |
681 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
20116 |
31.4 |
-1.0 |
0.190 |
0 |
0 |
0 |
0.016 |
25 |
|
[8BX]A:800 |
1 |
1 |
678 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
20179 |
30.5 |
-1.0 |
0.194 |
0 |
0 |
0 |
0.016 |
Average: |
30.9 |
-1.0 |
0.192 |
0 |
0 |
0 |
0.016 |
18 |
26 |
|
[8BX]B:800 |
3 |
1 |
681 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
3 |
1 |
399 |
30.9 |
0.3 |
0.319 |
1 |
0 |
0 |
0.002 |
27 |
|
[8BX]A:800 |
3 |
1 |
678 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
3 |
1 |
399 |
30.5 |
0.3 |
0.305 |
1 |
0 |
0 |
0.002 |
Average: |
30.7 |
0.3 |
0.312 |
1 |
0 |
0 |
0.002 |
19 |
28 |
|
B |
1 |
1 |
20179 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
3 |
20179 |
21.8 |
1.2 |
0.902 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
A |
2 |
1 |
20116 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
20116 |
14.3 |
-0.5 |
0.220 |
0 |
0 |
0 |
0.000 |
|