## |
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 |
260 |
69 |
20113 |
◊ |
A |
x,y,z |
1_555 |
257 |
69 |
20050 |
2603.9 |
-38.2 |
0.009 |
40 |
12 |
0 |
0.236 |
2 |
2 |
|
A |
71 |
19 |
20050 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
69 |
19 |
20113 |
650.4 |
-0.8 |
0.733 |
17 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]A:801 |
42 |
1 |
836 |
f |
A |
x,y,z |
1_555 |
85 |
26 |
20050 |
550.5 |
-19.9 |
0.340 |
4 |
0 |
0 |
0.171 |
4 |
|
[HEM]B:801 |
41 |
1 |
834 |
f |
B |
x,y,z |
1_555 |
82 |
27 |
20113 |
542.3 |
-19.5 |
0.376 |
2 |
0 |
0 |
0.171 |
Average: |
546.4 |
-19.7 |
0.358 |
3 |
0 |
0 |
0.171 |
4 |
5 |
|
B |
51 |
15 |
20113 |
x |
B |
x-1,y,z |
1_455 |
51 |
14 |
20113 |
469.5 |
0.5 |
0.731 |
3 |
0 |
0 |
0.000 |
5 |
6 |
|
[12S]B:802 |
29 |
1 |
728 |
f |
B |
x,y,z |
1_555 |
60 |
22 |
20113 |
368.9 |
1.7 |
0.482 |
5 |
0 |
0 |
0.008 |
7 |
|
[12S]A:802 |
30 |
1 |
713 |
f |
A |
x,y,z |
1_555 |
57 |
20 |
20050 |
363.5 |
0.9 |
0.397 |
5 |
0 |
0 |
0.008 |
Average: |
366.2 |
1.3 |
0.440 |
5 |
0 |
0 |
0.008 |
6 |
8 |
|
B |
41 |
12 |
20113 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
36 |
10 |
20050 |
334.0 |
-3.4 |
0.394 |
2 |
1 |
0 |
0.000 |
7 |
9 |
|
A |
24 |
13 |
20050 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
27 |
9 |
20113 |
217.2 |
1.2 |
0.804 |
2 |
3 |
0 |
0.000 |
8 |
10 |
|
[12S]B:802 |
18 |
1 |
728 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
34 |
1 |
834 |
155.9 |
-4.2 |
0.360 |
0 |
0 |
0 |
0.032 |
11 |
|
[12S]A:802 |
20 |
1 |
713 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
35 |
1 |
836 |
154.2 |
-3.3 |
0.399 |
1 |
0 |
0 |
0.032 |
Average: |
155.1 |
-3.7 |
0.379 |
1 |
0 |
0 |
0.032 |
9 |
12 |
|
[ACT]B:803 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
20113 |
116.3 |
-1.4 |
0.509 |
1 |
0 |
0 |
0.008 |
10 |
13 |
|
[ACT]A:803 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
20050 |
113.5 |
-1.4 |
0.465 |
1 |
0 |
0 |
0.008 |
11 |
14 |
|
[12S]B:802 |
7 |
1 |
728 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
20050 |
74.0 |
-1.6 |
0.178 |
0 |
0 |
0 |
0.013 |
15 |
|
[12S]A:802 |
7 |
1 |
713 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
20113 |
73.0 |
-1.7 |
0.185 |
0 |
0 |
0 |
0.013 |
Average: |
73.5 |
-1.6 |
0.181 |
0 |
0 |
0 |
0.013 |
12 |
16 |
|
[CL]A:807 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
20050 |
64.8 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.076 |
17 |
|
[CL]B:806 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
20113 |
59.5 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.076 |
Average: |
62.2 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.076 |
13 |
18 |
|
[ACT]A:803 |
3 |
1 |
182 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
5 |
1 |
836 |
36.9 |
-1.2 |
0.751 |
0 |
0 |
0 |
0.005 |
14 |
19 |
|
[ACT]B:803 |
1 |
1 |
183 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
5 |
1 |
834 |
35.5 |
-1.1 |
0.493 |
0 |
0 |
0 |
0.005 |
15 |
20 |
|
[ZN]A:804 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20113 |
34.7 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.142 |
21 |
|
[ZN]A:804 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20050 |
34.4 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.142 |
Average: |
34.6 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.142 |
16 |
22 |
|
[CL]A:806 |
1 |
1 |
125 |
f |
[12S]A:802 |
x,y,z |
1_555 |
10 |
1 |
713 |
34.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.026 |
23 |
|
[CL]B:805 |
1 |
1 |
125 |
f |
[12S]B:802 |
x,y,z |
1_555 |
10 |
1 |
728 |
32.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
33.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.026 |
17 |
24 |
|
[CL]B:805 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
20113 |
32.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.030 |
25 |
|
[CL]A:806 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
20050 |
31.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.030 |
Average: |
31.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.030 |
18 |
26 |
|
[CL]B:806 |
1 |
1 |
125 |
f |
[12S]B:802 |
x,y,z |
1_555 |
5 |
1 |
728 |
31.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.023 |
27 |
|
[CL]A:807 |
1 |
1 |
125 |
f |
[12S]A:802 |
x,y,z |
1_555 |
6 |
1 |
713 |
26.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.023 |
Average: |
29.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.023 |
19 |
28 |
|
[ZN]A:805 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
20050 |
28.0 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.114 |
29 |
|
[ZN]B:804 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
20113 |
27.8 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.114 |
Average: |
27.9 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.114 |
20 |
30 |
|
[CL]B:805 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
20050 |
26.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.023 |
31 |
|
[CL]A:806 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
20113 |
25.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.023 |
Average: |
26.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.023 |
21 |
32 |
|
[ZN]B:804 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20050 |
26.0 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.098 |
33 |
|
[ZN]A:805 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
20113 |
25.0 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.098 |
Average: |
25.5 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.098 |
22 |
34 |
|
[CL]B:805 |
1 |
1 |
125 |
f |
[ZN]B:804 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.8 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.051 |
23 |
35 |
|
[CL]A:806 |
1 |
1 |
125 |
f |
[ZN]A:805 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.2 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.049 |
24 |
36 |
|
A |
3 |
1 |
20050 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
20050 |
18.6 |
-0.6 |
0.201 |
0 |
0 |
0 |
0.000 |
25 |
37 |
|
[ZN]B:804 |
1 |
1 |
98 |
f |
[12S]B:802 |
x,y,z |
1_555 |
5 |
1 |
728 |
8.5 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.023 |
38 |
|
[ZN]A:805 |
1 |
1 |
98 |
f |
[12S]A:802 |
x,y,z |
1_555 |
4 |
1 |
713 |
8.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.023 |
Average: |
8.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.023 |
26 |
39 |
|
A |
1 |
1 |
20050 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
20113 |
4.8 |
-0.0 |
0.656 |
0 |
0 |
0 |
0.000 |
27 |
40 |
|
[CL]B:805 |
1 |
1 |
125 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
1 |
1 |
834 |
3.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
|