| ## |
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 |
97 |
22 |
8815 |
◊ |
A |
x,y,z |
1_555 |
95 |
22 |
8706 |
834.7 |
-7.8 |
0.159 |
16 |
16 |
0 |
0.239 |
| 2 |
2 |
|
A |
53 |
19 |
8706 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
53 |
15 |
8706 |
523.5 |
-0.5 |
0.557 |
4 |
5 |
0 |
0.000 |
| 3 |
3 |
|
[HEM]A:204 |
43 |
1 |
841 |
f |
[HEM]A:203 |
x,y,z |
1_555 |
43 |
1 |
829 |
285.6 |
-12.8 |
1.000 |
0 |
0 |
0 |
0.176 |
| 4 |
4 |
|
B |
30 |
12 |
8815 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
28 |
8 |
8706 |
284.8 |
-3.1 |
0.191 |
1 |
2 |
0 |
0.006 |
| 5 |
5 |
|
[HEM]A:204 |
40 |
1 |
841 |
◊ |
A |
x,y,z |
1_555 |
39 |
13 |
8706 |
250.0 |
-7.7 |
0.237 |
0 |
0 |
0 |
0.000 |
6 |
|
[HEM]A:203 |
39 |
1 |
829 |
◊ |
B |
x,y,z |
1_555 |
40 |
13 |
8815 |
245.5 |
-7.4 |
0.248 |
0 |
0 |
0 |
0.000 |
| Average: |
247.8 |
-7.5 |
0.242 |
0 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[HEM]A:204 |
38 |
1 |
841 |
◊ |
B |
x,y,z |
1_555 |
39 |
13 |
8815 |
238.9 |
-7.5 |
0.224 |
0 |
0 |
0 |
0.000 |
8 |
|
[HEM]A:203 |
38 |
1 |
829 |
◊ |
A |
x,y,z |
1_555 |
38 |
13 |
8706 |
237.7 |
-7.5 |
0.229 |
0 |
0 |
0 |
0.000 |
| Average: |
238.3 |
-7.5 |
0.226 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
B |
23 |
7 |
8815 |
x |
B |
-x,y-1/2,-z-1/2 |
3_544 |
28 |
8 |
8815 |
229.3 |
-2.1 |
0.216 |
0 |
0 |
0 |
0.000 |
| 8 |
10 |
|
A |
29 |
10 |
8706 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
24 |
9 |
8815 |
214.5 |
-0.4 |
0.587 |
1 |
1 |
0 |
0.000 |
| 9 |
11 |
|
B |
12 |
4 |
8815 |
x |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
13 |
5 |
8815 |
112.0 |
0.4 |
0.598 |
2 |
3 |
0 |
0.000 |
| 10 |
12 |
|
[EDO]B:302 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
8815 |
109.0 |
4.1 |
0.695 |
4 |
0 |
0 |
0.000 |
13 |
|
[EDO]A:302 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
8706 |
105.2 |
4.0 |
0.690 |
5 |
0 |
0 |
0.000 |
| Average: |
107.1 |
4.0 |
0.693 |
5 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[EDO]A:301 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
8706 |
106.0 |
3.5 |
0.620 |
5 |
0 |
0 |
0.000 |
| 12 |
15 |
|
B |
13 |
4 |
8815 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
8 |
2 |
8706 |
105.1 |
-1.8 |
0.074 |
0 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[EDO]B:301 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
11 |
8815 |
100.2 |
3.6 |
0.636 |
5 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[SO4]A:202 |
5 |
1 |
185 |
f |
A |
x-1/2,-y-1/2,-z |
4_445 |
13 |
6 |
8706 |
83.5 |
-9.9 |
0.898 |
2 |
0 |
0 |
0.149 |
| 15 |
18 |
|
[SO4]A:201 |
5 |
1 |
186 |
f |
B |
-x,y-1/2,-z-1/2 |
3_544 |
5 |
2 |
8815 |
70.9 |
-8.0 |
0.974 |
5 |
0 |
0 |
0.141 |
| 16 |
19 |
|
[SO4]A:202 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
8706 |
63.7 |
-9.4 |
0.376 |
2 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[SO4]A:201 |
4 |
1 |
186 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
8 |
3 |
8706 |
46.0 |
-5.5 |
0.902 |
2 |
0 |
0 |
0.010 |
| 18 |
21 |
|
B |
6 |
2 |
8815 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
2 |
8706 |
44.7 |
0.7 |
0.699 |
0 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[SO4]A:201 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
8706 |
43.5 |
-4.4 |
0.921 |
2 |
0 |
0 |
0.000 |
| 20 |
23 |
|
B |
6 |
4 |
8815 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
7 |
4 |
8706 |
28.6 |
0.3 |
0.636 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
A |
4 |
2 |
8706 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
2 |
8815 |
20.8 |
0.8 |
0.801 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[EDO]A:302 |
3 |
1 |
186 |
f |
[ZN]A:200 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.4 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.187 |
26 |
|
[EDO]B:302 |
2 |
1 |
186 |
f |
[ZN]B:200 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.2 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.187 |
| Average: |
16.3 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.187 |
| 23 |
27 |
|
[EDO]A:301 |
3 |
1 |
185 |
f |
[ZN]A:200 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.1 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.101 |
| 24 |
28 |
|
[EDO]B:301 |
3 |
1 |
184 |
f |
[ZN]B:200 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.9 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.101 |
| 25 |
29 |
|
[HEM]A:203 |
1 |
1 |
829 |
f |
A |
x-1,y,z |
1_455 |
1 |
1 |
8706 |
1.2 |
0.0 |
0.826 |
0 |
0 |
0 |
0.000 |
|