| ## |
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 |
271 |
66 |
10362 |
◊ |
A |
x,y,z |
1_555 |
275 |
66 |
10768 |
2692.8 |
-50.6 |
0.014 |
9 |
13 |
0 |
0.191 |
| 2 |
2 |
|
A |
46 |
12 |
10768 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
42 |
11 |
10362 |
397.2 |
-0.2 |
0.812 |
7 |
0 |
0 |
0.000 |
| 3 |
3 |
|
[HEM]A:201 |
35 |
1 |
805 |
◊ |
B |
x,y,z |
1_555 |
40 |
13 |
10362 |
345.8 |
-11.0 |
0.542 |
2 |
0 |
0 |
0.080 |
4 |
|
[HEM]B:202 |
35 |
1 |
815 |
◊ |
A |
x,y,z |
1_555 |
39 |
13 |
10768 |
344.6 |
-11.8 |
0.428 |
0 |
0 |
0 |
0.080 |
| Average: |
345.2 |
-11.4 |
0.485 |
1 |
0 |
0 |
0.080 |
| 4 |
5 |
|
A |
35 |
12 |
10768 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
37 |
11 |
10768 |
343.6 |
-2.2 |
0.564 |
2 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[HEM]B:202 |
33 |
1 |
815 |
f |
B |
x,y,z |
1_555 |
37 |
13 |
10362 |
330.5 |
-11.7 |
0.420 |
1 |
0 |
0 |
0.082 |
7 |
|
[HEM]A:201 |
35 |
1 |
805 |
f |
A |
x,y,z |
1_555 |
35 |
13 |
10768 |
319.6 |
-11.4 |
0.385 |
2 |
0 |
0 |
0.082 |
| Average: |
325.0 |
-11.6 |
0.403 |
2 |
0 |
0 |
0.082 |
| 6 |
8 |
|
A |
32 |
9 |
10768 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
40 |
11 |
10362 |
308.5 |
-1.0 |
0.702 |
3 |
0 |
0 |
0.000 |
| 7 |
9 |
|
B |
35 |
11 |
10362 |
x |
B |
-x+1/2,-y,z-1/2 |
2_554 |
31 |
7 |
10362 |
295.6 |
-2.6 |
0.504 |
2 |
0 |
0 |
0.000 |
| 8 |
10 |
|
A |
33 |
11 |
10768 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
34 |
11 |
10362 |
277.8 |
-2.6 |
0.551 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
B |
20 |
8 |
10362 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
17 |
6 |
10768 |
160.9 |
2.2 |
0.887 |
2 |
1 |
0 |
0.000 |
| 10 |
12 |
|
B |
17 |
8 |
10362 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
19 |
6 |
10768 |
152.3 |
-1.2 |
0.595 |
0 |
0 |
0 |
0.000 |
| 11 |
13 |
|
B |
17 |
5 |
10362 |
x |
B |
x,y-1,z |
1_545 |
16 |
4 |
10362 |
144.1 |
-0.4 |
0.602 |
3 |
0 |
0 |
0.000 |
| 12 |
14 |
|
B |
16 |
6 |
10362 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
18 |
6 |
10362 |
137.9 |
1.6 |
0.850 |
1 |
4 |
0 |
0.000 |
| 13 |
15 |
|
A |
12 |
5 |
10768 |
x |
A |
x,y-1,z |
1_545 |
10 |
4 |
10768 |
96.5 |
-0.2 |
0.677 |
1 |
1 |
0 |
0.000 |
| 14 |
16 |
|
A |
11 |
4 |
10768 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
11 |
5 |
10768 |
87.4 |
1.3 |
0.846 |
1 |
2 |
0 |
0.000 |
| 15 |
17 |
|
B |
8 |
2 |
10362 |
◊ |
A |
x,y-1,z |
1_545 |
8 |
3 |
10768 |
74.6 |
0.8 |
0.696 |
0 |
0 |
0 |
0.000 |
| 16 |
18 |
|
A |
7 |
3 |
10768 |
◊ |
B |
-x+1/2,-y-1,z-1/2 |
2_544 |
5 |
3 |
10362 |
56.1 |
-0.3 |
0.624 |
0 |
1 |
0 |
0.000 |
| 17 |
19 |
|
B |
7 |
3 |
10362 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
6 |
4 |
10768 |
52.9 |
-0.2 |
0.641 |
0 |
0 |
0 |
0.000 |
| 18 |
20 |
|
A |
5 |
3 |
10768 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
11 |
4 |
10362 |
51.6 |
1.2 |
0.845 |
0 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[ZN]A:204 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
10768 |
44.1 |
-26.9 |
0.000 |
0 |
0 |
0 |
0.091 |
| 20 |
22 |
|
[ZN]A:203 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
10768 |
40.9 |
-22.6 |
0.000 |
0 |
0 |
0 |
0.155 |
23 |
|
[ZN]B:203 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
10362 |
40.2 |
-23.3 |
0.000 |
0 |
0 |
0 |
0.155 |
| Average: |
40.5 |
-23.0 |
0.000 |
0 |
0 |
0 |
0.155 |
| 21 |
24 |
|
[ZN]A:206 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
10768 |
37.0 |
-19.0 |
0.000 |
0 |
0 |
0 |
0.064 |
| 22 |
25 |
|
[ZN]A:205 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
10768 |
36.4 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.068 |
| 23 |
26 |
|
[ZN]B:203 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
10768 |
35.4 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.104 |
27 |
|
[ZN]A:203 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
10362 |
35.3 |
-15.4 |
0.000 |
0 |
0 |
0 |
0.104 |
| Average: |
35.3 |
-15.4 |
0.000 |
0 |
0 |
0 |
0.104 |
| 24 |
28 |
|
[O]B:201 |
1 |
1 |
99 |
f |
[HEM]A:201 |
x,y,z |
1_555 |
13 |
1 |
805 |
32.6 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.003 |
29 |
|
[O]A:202 |
1 |
1 |
99 |
f |
[HEM]B:202 |
x,y,z |
1_555 |
15 |
1 |
815 |
32.5 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.003 |
| Average: |
32.6 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.003 |
| 25 |
30 |
|
[O]A:202 |
1 |
1 |
99 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
10768 |
31.7 |
0.2 |
0.759 |
0 |
0 |
0 |
0.000 |
31 |
|
[O]B:201 |
1 |
1 |
99 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
10362 |
31.4 |
0.2 |
0.747 |
0 |
0 |
0 |
0.000 |
| Average: |
31.5 |
0.2 |
0.753 |
0 |
0 |
0 |
0.000 |
| 26 |
32 |
|
[ZN]A:205 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
10362 |
31.1 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.048 |
| 27 |
33 |
|
[ZN]A:206 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
10362 |
30.1 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.048 |
| 28 |
34 |
|
A |
7 |
3 |
10768 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
3 |
2 |
10362 |
25.3 |
1.1 |
0.864 |
0 |
0 |
0 |
0.000 |
| 29 |
35 |
|
[ZN]A:204 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
10362 |
23.0 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.034 |
| 30 |
36 |
|
[HEM]B:202 |
3 |
1 |
815 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
3 |
1 |
10362 |
19.4 |
-0.8 |
0.682 |
0 |
0 |
0 |
0.000 |
| 31 |
37 |
|
[O]A:202 |
1 |
1 |
99 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
10362 |
17.7 |
0.5 |
0.947 |
0 |
0 |
0 |
0.000 |
38 |
|
[O]B:201 |
1 |
1 |
99 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
10768 |
16.7 |
0.5 |
0.933 |
0 |
0 |
0 |
0.000 |
| Average: |
17.2 |
0.5 |
0.940 |
0 |
0 |
0 |
0.000 |
| 32 |
39 |
|
[HEM]B:202 |
2 |
1 |
815 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
2 |
1 |
10768 |
14.1 |
-0.6 |
0.612 |
0 |
0 |
0 |
0.000 |
| 33 |
40 |
|
[ZN]A:206 |
1 |
1 |
98 |
f |
[ZN]A:205 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.7 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.037 |
| 34 |
41 |
|
A |
1 |
1 |
10768 |
x |
A |
-x+1/2,-y-1,z-1/2 |
2_544 |
1 |
1 |
10768 |
12.6 |
0.0 |
0.471 |
0 |
0 |
0 |
0.000 |
| 35 |
42 |
|
A |
2 |
1 |
10768 |
x |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
3 |
1 |
10768 |
10.7 |
-0.1 |
0.576 |
0 |
0 |
0 |
0.000 |
| 36 |
43 |
|
B |
3 |
2 |
10362 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
10362 |
10.1 |
-0.1 |
0.453 |
0 |
0 |
0 |
0.000 |
| 37 |
44 |
|
[ZN]A:204 |
1 |
1 |
98 |
◊ |
[HEM]A:201 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
805 |
4.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 38 |
45 |
|
[ZN]A:204 |
1 |
1 |
98 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
2 |
2 |
10362 |
2.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 39 |
46 |
|
B |
1 |
1 |
10362 |
◊ |
[HEM]A:201 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
805 |
0.8 |
-0.0 |
0.857 |
0 |
0 |
0 |
0.000 |
|