## |
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 |
261 |
68 |
20183 |
◊ |
A |
x,y,z |
1_555 |
264 |
68 |
20165 |
2624.6 |
-37.9 |
0.007 |
39 |
8 |
0 |
0.462 |
2 |
2 |
|
A |
73 |
20 |
20165 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
71 |
19 |
20183 |
670.8 |
-0.5 |
0.755 |
9 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]A:801 |
41 |
1 |
826 |
f |
A |
x,y,z |
1_555 |
77 |
23 |
20165 |
518.7 |
-18.0 |
0.334 |
2 |
0 |
0 |
0.307 |
4 |
|
[HEM]B:801 |
41 |
1 |
819 |
f |
B |
x,y,z |
1_555 |
82 |
24 |
20183 |
513.6 |
-17.8 |
0.350 |
2 |
0 |
0 |
0.307 |
Average: |
516.1 |
-17.9 |
0.342 |
2 |
0 |
0 |
0.307 |
4 |
5 |
|
B |
50 |
15 |
20183 |
x |
B |
x-1,y,z |
1_455 |
50 |
14 |
20183 |
470.8 |
1.9 |
0.797 |
5 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
42 |
12 |
20183 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
30 |
9 |
20165 |
321.0 |
-2.6 |
0.438 |
2 |
3 |
0 |
0.000 |
6 |
7 |
|
[KKY]B:803 |
24 |
1 |
603 |
f |
B |
x,y,z |
1_555 |
40 |
17 |
20183 |
316.3 |
-3.2 |
0.427 |
4 |
0 |
0 |
0.080 |
8 |
|
[KKY]A:803 |
24 |
1 |
608 |
f |
A |
x,y,z |
1_555 |
41 |
17 |
20165 |
310.5 |
-3.0 |
0.467 |
4 |
0 |
0 |
0.080 |
Average: |
313.4 |
-3.1 |
0.447 |
4 |
0 |
0 |
0.080 |
7 |
9 |
|
[H4B]B:802 |
17 |
1 |
397 |
f |
B |
x,y,z |
1_555 |
28 |
9 |
20183 |
195.1 |
2.1 |
0.471 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:802 |
17 |
1 |
393 |
f |
A |
x,y,z |
1_555 |
30 |
9 |
20165 |
189.6 |
2.1 |
0.489 |
2 |
0 |
0 |
0.000 |
Average: |
192.3 |
2.1 |
0.480 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
A |
23 |
10 |
20165 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
23 |
8 |
20183 |
179.0 |
0.5 |
0.739 |
1 |
1 |
0 |
0.000 |
9 |
12 |
|
[KKY]B:803 |
22 |
1 |
603 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
37 |
1 |
819 |
176.0 |
-5.0 |
0.791 |
0 |
0 |
0 |
0.079 |
13 |
|
[KKY]A:803 |
21 |
1 |
608 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
36 |
1 |
826 |
175.4 |
-4.6 |
0.789 |
0 |
0 |
0 |
0.079 |
Average: |
175.7 |
-4.8 |
0.790 |
0 |
0 |
0 |
0.079 |
10 |
14 |
|
[ACT]B:804 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
20183 |
117.5 |
-1.3 |
0.523 |
1 |
0 |
0 |
0.014 |
11 |
15 |
|
[H4B]A:802 |
14 |
1 |
393 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20183 |
116.9 |
-0.2 |
0.246 |
1 |
0 |
0 |
0.010 |
16 |
|
[H4B]B:802 |
14 |
1 |
397 |
◊ |
A |
x,y,z |
1_555 |
24 |
6 |
20165 |
116.5 |
-0.1 |
0.268 |
1 |
0 |
0 |
0.010 |
Average: |
116.7 |
-0.2 |
0.257 |
1 |
0 |
0 |
0.010 |
12 |
17 |
|
[ACT]A:804 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
20165 |
111.4 |
-1.4 |
0.490 |
1 |
0 |
0 |
0.015 |
13 |
18 |
|
[H4B]A:802 |
5 |
1 |
393 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
6 |
1 |
826 |
41.3 |
-0.7 |
0.546 |
2 |
0 |
0 |
0.026 |
19 |
|
[H4B]B:802 |
5 |
1 |
397 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
6 |
1 |
819 |
40.5 |
-0.7 |
0.519 |
2 |
0 |
0 |
0.026 |
Average: |
40.9 |
-0.7 |
0.532 |
2 |
0 |
0 |
0.026 |
14 |
20 |
|
[ACT]A:804 |
2 |
1 |
184 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
5 |
1 |
826 |
38.4 |
-1.2 |
0.690 |
0 |
0 |
0 |
0.010 |
15 |
21 |
|
[ZN]A:805 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20165 |
35.0 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.250 |
22 |
|
[ZN]A:805 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20183 |
34.5 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.250 |
Average: |
34.8 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.250 |
16 |
23 |
|
[ACT]B:804 |
3 |
1 |
182 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
5 |
1 |
819 |
25.8 |
-0.5 |
0.820 |
0 |
0 |
0 |
0.004 |
17 |
24 |
|
[KKY]A:803 |
1 |
1 |
608 |
f |
[H4B]A:802 |
x,y,z |
1_555 |
4 |
1 |
393 |
25.4 |
-0.8 |
0.163 |
0 |
0 |
0 |
0.013 |
25 |
|
[KKY]B:803 |
1 |
1 |
603 |
f |
[H4B]B:802 |
x,y,z |
1_555 |
4 |
1 |
397 |
24.6 |
-0.8 |
0.150 |
0 |
0 |
0 |
0.013 |
Average: |
25.0 |
-0.8 |
0.157 |
0 |
0 |
0 |
0.013 |
18 |
26 |
|
A |
5 |
3 |
20165 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
1 |
20183 |
24.8 |
-0.2 |
0.532 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
B |
2 |
1 |
20183 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
2 |
20183 |
14.0 |
0.4 |
0.826 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
[KKY]A:803 |
2 |
1 |
608 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
20183 |
5.5 |
0.0 |
0.577 |
0 |
0 |
0 |
0.000 |
29 |
|
[KKY]B:803 |
1 |
1 |
603 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
20165 |
5.0 |
0.1 |
0.633 |
0 |
0 |
0 |
0.000 |
Average: |
5.2 |
0.1 |
0.605 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
A |
1 |
1 |
20165 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
20165 |
1.7 |
0.0 |
0.610 |
0 |
0 |
0 |
0.000 |
|