| ## |
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 |
|
A |
89 |
29 |
16900 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
92 |
29 |
17131 |
806.5 |
-2.4 |
0.508 |
10 |
4 |
0 |
0.000 |
| 2 |
2 |
|
B |
63 |
17 |
17131 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
73 |
25 |
16900 |
624.0 |
-4.3 |
0.324 |
13 |
7 |
0 |
0.007 |
| 3 |
3 |
|
A |
62 |
18 |
16900 |
◊ |
B |
x-1/2,-y-1/2,-z+1 |
4_446 |
62 |
17 |
17131 |
592.0 |
3.3 |
0.826 |
22 |
10 |
0 |
0.000 |
| 4 |
4 |
|
[MOY]B:605 |
22 |
1 |
535 |
f |
B |
x,y,z |
1_555 |
58 |
17 |
17131 |
357.4 |
0.3 |
0.392 |
1 |
0 |
0 |
0.000 |
5 |
|
[MOY]A:602 |
21 |
1 |
531 |
f |
A |
x,y,z |
1_555 |
54 |
18 |
16900 |
353.5 |
0.2 |
0.395 |
2 |
0 |
0 |
0.000 |
| Average: |
355.5 |
0.2 |
0.393 |
2 |
0 |
0 |
0.001 |
| 5 |
6 |
|
B |
38 |
10 |
17131 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
39 |
10 |
16900 |
344.2 |
-1.1 |
0.472 |
4 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[ADP]B:603 |
26 |
1 |
555 |
f |
B |
x,y,z |
1_555 |
48 |
16 |
17131 |
319.0 |
-5.0 |
0.538 |
11 |
0 |
0 |
0.047 |
8 |
|
[ADP]A:600 |
26 |
1 |
554 |
f |
A |
x,y,z |
1_555 |
47 |
15 |
16900 |
310.9 |
-6.2 |
0.413 |
11 |
0 |
0 |
0.047 |
| Average: |
314.9 |
-5.6 |
0.475 |
11 |
0 |
0 |
0.047 |
| 7 |
9 |
|
B |
29 |
9 |
17131 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
21 |
5 |
16900 |
248.0 |
-1.7 |
0.386 |
3 |
1 |
0 |
0.000 |
| 8 |
10 |
|
[PG4]A:606 |
13 |
1 |
400 |
f |
A |
x,y,z |
1_555 |
28 |
12 |
16900 |
235.7 |
3.4 |
0.198 |
3 |
0 |
0 |
0.000 |
| 9 |
11 |
|
B |
24 |
7 |
17131 |
◊ |
A |
x,y,z |
1_555 |
19 |
8 |
16900 |
189.0 |
1.5 |
0.726 |
3 |
3 |
0 |
0.000 |
| 10 |
12 |
|
[K]A:607 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
16900 |
90.8 |
-75.8 |
0.000 |
0 |
0 |
0 |
0.055 |
| 11 |
13 |
|
[CL]A:608 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
16900 |
66.3 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.006 |
| 12 |
14 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
16900 |
56.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.027 |
15 |
|
[MG]B:604 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
17131 |
50.9 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.027 |
| Average: |
53.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.027 |
| 13 |
16 |
|
[PG4]A:606 |
4 |
1 |
400 |
f |
[ADP]A:600 |
x,y,z |
1_555 |
4 |
1 |
554 |
46.0 |
2.2 |
0.499 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[PG4]A:606 |
4 |
1 |
400 |
f |
[K]A:607 |
x,y,z |
1_555 |
1 |
1 |
216 |
39.7 |
-16.8 |
0.000 |
0 |
0 |
0 |
0.012 |
| 15 |
18 |
|
[ADP]A:600 |
3 |
1 |
554 |
f |
[K]A:607 |
x,y,z |
1_555 |
1 |
1 |
216 |
39.1 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.010 |
| 16 |
19 |
|
[ADP]B:603 |
4 |
1 |
555 |
f |
[MG]B:604 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.026 |
20 |
|
[ADP]A:600 |
4 |
1 |
554 |
f |
[MG]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.026 |
| Average: |
32.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.026 |
| 17 |
21 |
|
B |
2 |
1 |
17131 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
5 |
2 |
17131 |
26.8 |
-0.2 |
0.307 |
0 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[PG4]A:606 |
3 |
1 |
400 |
f |
[CL]A:608 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.002 |
| 19 |
23 |
|
B |
2 |
1 |
17131 |
◊ |
[CL]A:608 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
125 |
3.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
A |
1 |
1 |
16900 |
x |
A |
-x+1,y-1/2,-z+3/2 |
3_646 |
1 |
1 |
16900 |
3.2 |
-0.0 |
0.528 |
0 |
0 |
0 |
0.000 |
|