## |
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 |
269 |
70 |
20117 |
◊ |
A |
x,y,z |
1_555 |
267 |
68 |
19917 |
2597.7 |
-36.5 |
0.012 |
42 |
9 |
0 |
0.451 |
2 |
2 |
|
A |
69 |
18 |
19917 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
69 |
19 |
20117 |
655.0 |
-1.3 |
0.688 |
11 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]A:750 |
41 |
1 |
830 |
f |
A |
x,y,z |
1_555 |
78 |
24 |
19917 |
516.7 |
-18.3 |
0.278 |
2 |
0 |
0 |
0.304 |
4 |
|
[HEM]B:750 |
42 |
1 |
830 |
f |
B |
x,y,z |
1_555 |
81 |
24 |
20117 |
514.6 |
-18.0 |
0.337 |
2 |
0 |
0 |
0.304 |
Average: |
515.7 |
-18.1 |
0.308 |
2 |
0 |
0 |
0.304 |
4 |
5 |
|
B |
49 |
15 |
20117 |
x |
B |
x-1,y,z |
1_455 |
54 |
15 |
20117 |
471.6 |
1.0 |
0.777 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
41 |
11 |
20117 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
30 |
8 |
19917 |
310.5 |
-1.9 |
0.527 |
5 |
2 |
0 |
0.000 |
6 |
7 |
|
[TUE]B:800 |
21 |
1 |
520 |
f |
B |
x,y,z |
1_555 |
42 |
17 |
20117 |
284.8 |
-3.6 |
0.486 |
4 |
0 |
0 |
0.084 |
8 |
|
[TUE]A:800 |
22 |
1 |
517 |
f |
A |
x,y,z |
1_555 |
38 |
15 |
19917 |
276.0 |
-3.8 |
0.429 |
3 |
0 |
0 |
0.084 |
Average: |
280.4 |
-3.7 |
0.457 |
4 |
0 |
0 |
0.084 |
7 |
9 |
|
[H4B]B:760 |
17 |
1 |
399 |
f |
B |
x,y,z |
1_555 |
29 |
9 |
20117 |
198.4 |
2.0 |
0.463 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:760 |
17 |
1 |
397 |
f |
A |
x,y,z |
1_555 |
29 |
9 |
19917 |
192.1 |
2.0 |
0.447 |
2 |
0 |
0 |
0.000 |
Average: |
195.2 |
2.0 |
0.455 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
A |
26 |
11 |
19917 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
21 |
7 |
20117 |
186.9 |
1.0 |
0.770 |
1 |
2 |
0 |
0.000 |
9 |
12 |
|
[TUE]B:800 |
21 |
1 |
520 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
35 |
1 |
830 |
160.7 |
-5.3 |
0.917 |
0 |
0 |
0 |
0.086 |
13 |
|
[TUE]A:800 |
21 |
1 |
517 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
35 |
1 |
830 |
160.2 |
-5.4 |
0.927 |
0 |
0 |
0 |
0.086 |
Average: |
160.5 |
-5.4 |
0.922 |
0 |
0 |
0 |
0.086 |
10 |
14 |
|
[H4B]A:760 |
14 |
1 |
397 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20117 |
118.5 |
-0.1 |
0.247 |
1 |
0 |
0 |
0.008 |
15 |
|
[H4B]B:760 |
13 |
1 |
399 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
19917 |
118.2 |
-0.1 |
0.264 |
1 |
0 |
0 |
0.008 |
Average: |
118.4 |
-0.1 |
0.256 |
1 |
0 |
0 |
0.008 |
11 |
16 |
|
[ACT]B:860 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
20117 |
112.4 |
-1.3 |
0.482 |
1 |
0 |
0 |
0.014 |
12 |
17 |
|
[ACT]A:860 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
19917 |
111.8 |
-1.4 |
0.459 |
1 |
0 |
0 |
0.015 |
13 |
18 |
|
[H4B]A:760 |
4 |
1 |
397 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
830 |
42.5 |
-1.0 |
0.474 |
2 |
0 |
0 |
0.032 |
19 |
|
[H4B]B:760 |
5 |
1 |
399 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
830 |
41.5 |
-1.2 |
0.428 |
2 |
0 |
0 |
0.032 |
Average: |
42.0 |
-1.1 |
0.451 |
2 |
0 |
0 |
0.032 |
14 |
20 |
|
[ACT]A:860 |
2 |
1 |
182 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
830 |
37.1 |
-1.2 |
0.690 |
0 |
0 |
0 |
0.009 |
15 |
21 |
|
[ACT]B:860 |
3 |
1 |
182 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
830 |
35.2 |
-1.0 |
0.754 |
0 |
0 |
0 |
0.008 |
16 |
22 |
|
[ZN]A:1717 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20117 |
34.4 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.245 |
23 |
|
[ZN]A:1717 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19917 |
34.3 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.245 |
Average: |
34.4 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.245 |
17 |
24 |
|
A |
5 |
2 |
19917 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
2 |
20117 |
27.5 |
0.1 |
0.640 |
0 |
0 |
0 |
0.000 |
18 |
25 |
|
[TUE]A:800 |
2 |
1 |
517 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
2 |
1 |
397 |
15.0 |
-0.3 |
0.372 |
0 |
0 |
0 |
0.005 |
26 |
|
[TUE]B:800 |
2 |
1 |
520 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
2 |
1 |
399 |
12.2 |
-0.4 |
0.363 |
0 |
0 |
0 |
0.005 |
Average: |
13.6 |
-0.3 |
0.368 |
0 |
0 |
0 |
0.005 |
19 |
27 |
|
B |
2 |
1 |
20117 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
2 |
20117 |
13.0 |
0.7 |
0.861 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
A |
1 |
1 |
19917 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
19917 |
2.9 |
-0.1 |
0.404 |
0 |
0 |
0 |
0.000 |
|