| ## |
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 |
|
[B12]A:503 |
75 |
1 |
1432 |
◊ |
A |
x,y,z |
1_555 |
118 |
46 |
18037 |
1016.2 |
-6.4 |
0.622 |
24 |
0 |
0 |
0.211 |
2 |
|
[B12]B:503 |
75 |
1 |
1425 |
◊ |
B |
x,y,z |
1_555 |
118 |
45 |
17229 |
1014.3 |
-6.2 |
0.629 |
24 |
0 |
0 |
0.211 |
| Average: |
1015.2 |
-6.3 |
0.625 |
24 |
0 |
0 |
0.211 |
| 2 |
3 |
|
A |
86 |
22 |
18037 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
91 |
21 |
17229 |
809.5 |
-5.0 |
0.376 |
6 |
6 |
0 |
0.000 |
| 3 |
4 |
|
B |
69 |
19 |
17229 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
73 |
20 |
18037 |
631.0 |
-3.3 |
0.456 |
5 |
5 |
0 |
0.000 |
5 |
|
A |
67 |
17 |
18037 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
74 |
21 |
17229 |
628.6 |
-3.3 |
0.385 |
4 |
3 |
0 |
0.000 |
| Average: |
629.8 |
-3.3 |
0.421 |
5 |
4 |
0 |
0.000 |
| 4 |
6 |
|
A |
19 |
5 |
18037 |
x |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
24 |
6 |
18037 |
200.8 |
-1.7 |
0.397 |
3 |
0 |
0 |
0.000 |
| 5 |
7 |
|
[SF4]B:501 |
8 |
1 |
307 |
f |
B |
x,y,z |
1_555 |
30 |
12 |
17229 |
187.7 |
-21.5 |
0.327 |
0 |
0 |
0 |
0.266 |
8 |
|
[SF4]A:501 |
8 |
1 |
307 |
f |
A |
x,y,z |
1_555 |
29 |
12 |
18037 |
187.4 |
-21.5 |
0.335 |
0 |
0 |
0 |
0.266 |
| Average: |
187.5 |
-21.5 |
0.331 |
0 |
0 |
0 |
0.266 |
| 6 |
9 |
|
[SF4]B:502 |
8 |
1 |
307 |
f |
B |
x,y,z |
1_555 |
25 |
13 |
17229 |
167.3 |
-18.9 |
0.184 |
1 |
0 |
0 |
0.240 |
10 |
|
[SF4]A:502 |
8 |
1 |
308 |
f |
A |
x,y,z |
1_555 |
23 |
13 |
18037 |
167.1 |
-18.9 |
0.178 |
1 |
0 |
0 |
0.240 |
| Average: |
167.2 |
-18.9 |
0.181 |
1 |
0 |
0 |
0.240 |
| 7 |
11 |
|
[GOL]A:504 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
18037 |
130.4 |
-0.2 |
0.587 |
5 |
0 |
0 |
0.030 |
12 |
|
[GOL]B:504 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
17229 |
129.2 |
-0.2 |
0.586 |
5 |
0 |
0 |
0.030 |
| Average: |
129.8 |
-0.2 |
0.587 |
5 |
0 |
0 |
0.030 |
| 8 |
13 |
|
[PO4]A:506 |
5 |
1 |
188 |
f |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
15 |
9 |
17229 |
85.5 |
-5.1 |
0.743 |
2 |
0 |
0 |
0.075 |
14 |
|
[PO4]A:505 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
18037 |
84.6 |
-5.1 |
0.750 |
2 |
0 |
0 |
0.075 |
| Average: |
85.0 |
-5.1 |
0.747 |
2 |
0 |
0 |
0.075 |
| 9 |
15 |
|
[CL]B:505 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
17229 |
74.9 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.128 |
16 |
|
[CL]A:507 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
18037 |
74.5 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.128 |
| Average: |
74.7 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.128 |
| 10 |
17 |
|
B |
15 |
4 |
17229 |
◊ |
[PO4]A:505 |
-x+3/2,-y+1,z-1/2 |
2_664 |
5 |
1 |
189 |
71.9 |
-3.5 |
0.780 |
1 |
0 |
0 |
0.000 |
18 |
|
[PO4]A:506 |
5 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
18037 |
71.4 |
-3.5 |
0.762 |
1 |
0 |
0 |
0.000 |
| Average: |
71.7 |
-3.5 |
0.771 |
1 |
0 |
0 |
0.000 |
| 11 |
19 |
|
[GOL]B:504 |
5 |
1 |
217 |
◊ |
[B12]B:503 |
x,y,z |
1_555 |
13 |
1 |
1425 |
61.4 |
-1.4 |
0.462 |
0 |
0 |
0 |
0.018 |
20 |
|
[GOL]A:504 |
5 |
1 |
219 |
◊ |
[B12]A:503 |
x,y,z |
1_555 |
13 |
1 |
1432 |
61.2 |
-1.4 |
0.480 |
0 |
0 |
0 |
0.018 |
| Average: |
61.3 |
-1.4 |
0.471 |
0 |
0 |
0 |
0.018 |
| 12 |
21 |
|
[B12]A:503 |
11 |
1 |
1432 |
◊ |
[SF4]A:502 |
x,y,z |
1_555 |
4 |
1 |
308 |
54.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.037 |
22 |
|
[B12]B:503 |
11 |
1 |
1425 |
◊ |
[SF4]B:502 |
x,y,z |
1_555 |
4 |
1 |
307 |
53.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.037 |
| Average: |
54.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.037 |
| 13 |
23 |
|
B |
7 |
3 |
17229 |
x |
B |
-x+2,y-1/2,-z+3/2 |
3_746 |
4 |
1 |
17229 |
53.4 |
1.0 |
0.693 |
1 |
2 |
0 |
0.000 |
24 |
|
A |
5 |
1 |
18037 |
x |
A |
-x+1,y-1/2,-z+3/2 |
3_646 |
4 |
1 |
18037 |
42.9 |
0.1 |
0.557 |
0 |
2 |
0 |
0.000 |
| Average: |
48.1 |
0.5 |
0.625 |
1 |
2 |
0 |
0.000 |
| 14 |
25 |
|
A |
5 |
1 |
18037 |
◊ |
B |
x-1/2,-y+3/2,-z+2 |
4_467 |
6 |
1 |
17229 |
36.6 |
-0.8 |
0.337 |
0 |
0 |
0 |
0.000 |
| 15 |
26 |
|
A |
2 |
2 |
18037 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
2 |
17229 |
8.1 |
0.2 |
0.662 |
0 |
0 |
0 |
0.000 |
| 16 |
27 |
|
B |
1 |
1 |
17229 |
x |
B |
-x+5/2,-y+1,z-1/2 |
2_764 |
1 |
1 |
17229 |
7.2 |
-0.2 |
0.260 |
0 |
0 |
0 |
0.000 |
| 17 |
28 |
|
B |
1 |
1 |
17229 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
18037 |
3.2 |
0.1 |
0.769 |
0 |
0 |
0 |
0.000 |
|