| ## |
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 |
397 |
102 |
17741 |
◊ |
A |
x,y,z |
1_555 |
400 |
103 |
17574 |
3824.1 |
-29.8 |
0.085 |
62 |
9 |
0 |
0.180 |
| 2 |
2 |
|
A |
82 |
23 |
17574 |
◊ |
A |
-x+1,y,-z+1 |
3_656 |
82 |
23 |
17574 |
703.2 |
-4.2 |
0.413 |
4 |
4 |
0 |
0.000 |
| 3 |
3 |
|
B |
44 |
13 |
17741 |
◊ |
B |
x,-y,-z+1 |
4_556 |
44 |
13 |
17741 |
408.9 |
-4.8 |
0.202 |
2 |
0 |
0 |
0.000 |
| 4 |
4 |
|
A |
37 |
10 |
17574 |
x |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
43 |
15 |
17574 |
375.0 |
-1.6 |
0.441 |
3 |
0 |
0 |
0.000 |
| 5 |
5 |
|
B |
35 |
13 |
17741 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
30 |
9 |
17574 |
344.2 |
-0.3 |
0.608 |
2 |
0 |
0 |
0.000 |
| 6 |
6 |
|
B |
21 |
6 |
17741 |
◊ |
B |
x,-y,-z |
4_555 |
21 |
6 |
17741 |
183.3 |
-1.4 |
0.417 |
2 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[MMQ]B:559 |
6 |
1 |
239 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
17741 |
127.2 |
-6.5 |
0.757 |
2 |
0 |
0 |
0.051 |
8 |
|
[MMQ]A:559 |
6 |
1 |
237 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
17574 |
123.2 |
-7.7 |
0.482 |
3 |
0 |
0 |
0.051 |
| Average: |
125.2 |
-7.1 |
0.620 |
3 |
0 |
0 |
0.051 |
| 8 |
9 |
|
[SO4]A:558 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
17574 |
88.1 |
-12.4 |
0.900 |
5 |
0 |
0 |
0.045 |
| 9 |
10 |
|
[SO4]B:958 |
5 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
17741 |
85.2 |
-12.2 |
0.895 |
3 |
0 |
0 |
0.041 |
| 10 |
11 |
|
[MG]B:452 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
17741 |
48.2 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.055 |
12 |
|
[MG]A:452 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
17574 |
47.9 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.055 |
| Average: |
48.0 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.055 |
| 11 |
13 |
|
[ZN]B:453 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
9 |
7 |
17741 |
48.2 |
-35.8 |
0.000 |
0 |
0 |
0 |
0.218 |
14 |
|
[ZN]A:453 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
17574 |
47.9 |
-35.1 |
0.000 |
0 |
0 |
0 |
0.218 |
| Average: |
48.0 |
-35.4 |
0.000 |
0 |
0 |
0 |
0.218 |
| 12 |
15 |
|
[ZN]B:450 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
17741 |
34.1 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.144 |
16 |
|
[ZN]A:450 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
5 |
4 |
17574 |
33.4 |
-23.2 |
0.000 |
0 |
0 |
0 |
0.144 |
| Average: |
33.8 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.144 |
| 13 |
17 |
|
B |
3 |
1 |
17741 |
◊ |
[SO4]A:558 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
4 |
1 |
183 |
34.1 |
-2.6 |
0.978 |
2 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[MMQ]B:559 |
4 |
1 |
239 |
f |
[ZN]B:450 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.4 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.083 |
19 |
|
[MMQ]A:559 |
5 |
1 |
237 |
f |
[ZN]A:450 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.2 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.083 |
| Average: |
30.3 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.083 |
| 15 |
20 |
|
[MMQ]A:559 |
2 |
1 |
237 |
f |
[ZN]A:451 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.3 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.064 |
21 |
|
[MMQ]B:559 |
2 |
1 |
239 |
f |
[ZN]B:451 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.5 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.064 |
| Average: |
22.4 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.064 |
| 16 |
22 |
|
[ZN]A:451 |
1 |
1 |
98 |
f |
[ZN]A:450 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.3 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.025 |
| 17 |
23 |
|
[ZN]B:451 |
1 |
1 |
98 |
f |
[ZN]B:450 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.5 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.023 |
| 18 |
24 |
|
[MG]A:452 |
1 |
1 |
98 |
f |
[ZN]A:451 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.012 |
| 19 |
25 |
|
[ZN]A:453 |
1 |
1 |
98 |
f |
[ZN]A:451 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.9 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.019 |
| 20 |
26 |
|
[ZN]B:453 |
1 |
1 |
98 |
f |
[ZN]B:451 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.018 |
| 21 |
27 |
|
[MG]B:452 |
1 |
1 |
98 |
f |
[ZN]B:451 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.012 |
| 22 |
28 |
|
[MMQ]A:559 |
1 |
1 |
237 |
f |
[MG]A:452 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
29 |
|
[MMQ]B:559 |
1 |
1 |
239 |
f |
[MG]B:452 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
| Average: |
2.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
| 23 |
30 |
|
[MMQ]A:559 |
1 |
1 |
237 |
f |
[ZN]A:453 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.2 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.006 |
31 |
|
[MMQ]B:559 |
1 |
1 |
239 |
f |
[ZN]B:453 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.006 |
| Average: |
2.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.006 |
|