## |
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 |
46 |
14 |
14374 |
◊ |
A |
x,y,z |
1_555 |
39 |
13 |
14495 |
373.3 |
-4.5 |
0.196 |
2 |
0 |
0 |
0.000 |
2 |
2 |
|
B |
46 |
15 |
14374 |
x |
B |
-x+1,y-1/2,-z+2 |
2_647 |
36 |
12 |
14374 |
353.6 |
-3.0 |
0.328 |
6 |
2 |
0 |
0.000 |
3 |
|
A |
37 |
11 |
14495 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
44 |
15 |
14495 |
349.8 |
-2.3 |
0.383 |
5 |
2 |
0 |
0.000 |
Average: |
351.7 |
-2.6 |
0.355 |
6 |
2 |
0 |
0.000 |
3 |
4 |
|
[FKD]A:500 |
18 |
1 |
399 |
cf |
A |
x,y,z |
1_555 |
38 |
16 |
14495 |
267.4 |
0.8 |
0.591 |
11 |
0 |
0 |
0.011 |
5 |
|
[FKD]B:500 |
17 |
1 |
399 |
cf |
B |
x,y,z |
1_555 |
37 |
15 |
14374 |
265.6 |
0.6 |
0.606 |
12 |
0 |
0 |
0.011 |
Average: |
266.5 |
0.7 |
0.598 |
12 |
0 |
0 |
0.011 |
4 |
6 |
|
[K99]B:501 |
18 |
1 |
397 |
f |
B |
x,y,z |
1_555 |
33 |
11 |
14374 |
242.6 |
-2.0 |
0.434 |
6 |
0 |
0 |
0.011 |
7 |
|
[K99]A:501 |
18 |
1 |
400 |
f |
A |
x,y,z |
1_555 |
32 |
11 |
14495 |
240.2 |
-1.8 |
0.415 |
5 |
0 |
0 |
0.011 |
Average: |
241.4 |
-1.9 |
0.424 |
6 |
0 |
0 |
0.011 |
5 |
8 |
|
[K99]B:509 |
18 |
1 |
400 |
f |
B |
x,y,z |
1_555 |
32 |
13 |
14374 |
215.8 |
-0.8 |
0.527 |
7 |
0 |
0 |
0.008 |
6 |
9 |
|
B |
23 |
8 |
14374 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
23 |
9 |
14495 |
198.1 |
-0.5 |
0.453 |
3 |
0 |
0 |
0.000 |
7 |
10 |
|
A |
15 |
6 |
14495 |
◊ |
B |
x,y,z-1 |
1_554 |
20 |
7 |
14374 |
156.6 |
0.1 |
0.600 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[K99]A:502 |
11 |
1 |
395 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
14495 |
146.7 |
-2.1 |
0.332 |
3 |
0 |
0 |
0.010 |
9 |
12 |
|
[K99]B:502 |
12 |
1 |
399 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
14374 |
144.7 |
-2.3 |
0.339 |
4 |
0 |
0 |
0.009 |
10 |
13 |
|
[GOL]B:504 |
6 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
14374 |
123.6 |
-0.4 |
0.531 |
3 |
0 |
0 |
0.004 |
11 |
14 |
|
[K99]B:509 |
11 |
1 |
400 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
14495 |
119.8 |
1.9 |
0.592 |
1 |
0 |
0 |
0.000 |
12 |
15 |
|
[GOL]B:506 |
6 |
1 |
213 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
14374 |
110.6 |
-1.1 |
0.418 |
4 |
0 |
0 |
0.006 |
13 |
16 |
|
[GOL]A:503 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
17 |
4 |
14495 |
98.0 |
-0.2 |
0.529 |
1 |
0 |
0 |
0.002 |
14 |
17 |
|
[GOL]B:505 |
6 |
1 |
217 |
f |
B |
-x+1,y-1/2,-z+2 |
2_647 |
18 |
5 |
14374 |
96.5 |
-0.2 |
0.598 |
1 |
0 |
0 |
0.001 |
15 |
18 |
|
[NO3]A:504 |
4 |
1 |
168 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
14495 |
89.1 |
1.7 |
0.629 |
3 |
0 |
0 |
0.000 |
16 |
19 |
|
[GOL]B:503 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
14374 |
80.3 |
0.6 |
0.688 |
3 |
0 |
0 |
0.002 |
17 |
20 |
|
[NA]A:505 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
14495 |
64.8 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.032 |
21 |
|
[NA]B:507 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
14374 |
64.7 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.032 |
Average: |
64.8 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.032 |
18 |
22 |
|
[GOL]A:503 |
5 |
1 |
219 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
3 |
14495 |
61.3 |
0.3 |
0.587 |
1 |
0 |
0 |
0.000 |
19 |
23 |
|
[GOL]B:505 |
3 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
14374 |
61.3 |
0.5 |
0.698 |
2 |
0 |
0 |
0.000 |
20 |
24 |
|
B |
7 |
2 |
14374 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
5 |
2 |
14495 |
57.2 |
1.3 |
0.854 |
2 |
3 |
0 |
0.000 |
21 |
25 |
|
[CL]B:508 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
14374 |
56.6 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.024 |
26 |
|
[CL]A:506 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
14495 |
56.5 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.024 |
Average: |
56.6 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.024 |
22 |
27 |
|
B |
6 |
3 |
14374 |
x |
B |
-x+2,y-1/2,-z+2 |
2_747 |
5 |
3 |
14374 |
52.4 |
-0.2 |
0.517 |
0 |
0 |
0 |
0.000 |
23 |
28 |
|
A |
4 |
2 |
14495 |
x |
A |
-x+2,y-1/2,-z+1 |
2_746 |
6 |
2 |
14495 |
41.5 |
-0.2 |
0.466 |
1 |
0 |
0 |
0.000 |
24 |
29 |
|
[CL]A:506 |
1 |
1 |
125 |
f |
[FKD]A:500 |
x,y,z |
1_555 |
6 |
1 |
399 |
39.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.011 |
30 |
|
[CL]B:508 |
1 |
1 |
125 |
f |
[FKD]B:500 |
x,y,z |
1_555 |
6 |
1 |
399 |
38.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
38.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.011 |
25 |
31 |
|
B |
2 |
1 |
14374 |
◊ |
A |
x,y-1,z+1 |
1_546 |
2 |
1 |
14495 |
30.5 |
-1.0 |
0.103 |
0 |
0 |
0 |
0.000 |
|