## |
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 |
112 |
35 |
14591 |
◊ |
A |
x,y,z |
1_555 |
115 |
35 |
14346 |
963.3 |
-7.7 |
0.353 |
8 |
4 |
0 |
0.004 |
2 |
2 |
|
D |
35 |
4 |
1065 |
◊ |
B |
x,y,z |
1_555 |
62 |
27 |
14591 |
416.5 |
-2.3 |
0.531 |
5 |
3 |
0 |
0.036 |
3 |
|
C |
35 |
4 |
1058 |
◊ |
A |
x,y,z |
1_555 |
63 |
27 |
14346 |
413.1 |
-2.7 |
0.501 |
6 |
2 |
0 |
0.036 |
Average: |
414.8 |
-2.5 |
0.516 |
6 |
3 |
0 |
0.036 |
3 |
4 |
|
B |
41 |
10 |
14591 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
37 |
11 |
14346 |
381.8 |
0.7 |
0.591 |
7 |
8 |
0 |
0.000 |
4 |
5 |
|
B |
35 |
9 |
14591 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
44 |
12 |
14346 |
360.8 |
0.3 |
0.495 |
5 |
3 |
0 |
0.000 |
5 |
6 |
|
A |
36 |
12 |
14346 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
39 |
9 |
14591 |
349.4 |
-1.4 |
0.542 |
4 |
1 |
0 |
0.000 |
6 |
7 |
|
B |
27 |
8 |
14591 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
21 |
5 |
14346 |
197.5 |
-1.5 |
0.370 |
1 |
1 |
0 |
0.000 |
7 |
8 |
|
A |
19 |
6 |
14346 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
17 |
6 |
14346 |
173.2 |
1.6 |
0.770 |
1 |
1 |
0 |
0.000 |
8 |
9 |
|
C |
12 |
3 |
1058 |
◊ |
B |
x,y,z |
1_555 |
24 |
10 |
14591 |
155.5 |
-2.2 |
0.400 |
2 |
0 |
0 |
0.000 |
10 |
|
D |
11 |
2 |
1065 |
◊ |
A |
x,y,z |
1_555 |
23 |
9 |
14346 |
148.1 |
-1.8 |
0.443 |
2 |
0 |
0 |
0.000 |
Average: |
151.8 |
-2.0 |
0.421 |
2 |
0 |
0 |
0.000 |
9 |
11 |
|
[GOL]B:404 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
14591 |
117.6 |
-0.6 |
0.502 |
2 |
0 |
0 |
0.009 |
10 |
12 |
|
[K]B:403 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
14 |
9 |
14591 |
114.2 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.703 |
13 |
|
[K]A:403 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
14346 |
113.3 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.703 |
Average: |
113.7 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.703 |
11 |
14 |
|
[MCM]D:6 |
12 |
1 |
335 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
14346 |
106.5 |
1.7 |
0.091 |
0 |
0 |
0 |
0.000 |
15 |
|
[MCM]C:6 |
12 |
1 |
334 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
14591 |
106.5 |
1.9 |
0.091 |
0 |
0 |
0 |
0.000 |
Average: |
106.5 |
1.8 |
0.091 |
0 |
0 |
0 |
0.000 |
12 |
16 |
|
[MCM]C:6 |
13 |
1 |
334 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
14346 |
105.5 |
1.8 |
0.031 |
2 |
0 |
0 |
0.000 |
17 |
|
[MCM]D:6 |
13 |
1 |
335 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
14591 |
105.3 |
1.9 |
0.031 |
3 |
0 |
0 |
0.000 |
Average: |
105.4 |
1.8 |
0.031 |
3 |
0 |
0 |
0.000 |
13 |
18 |
|
[GOL]C:101 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
14346 |
100.1 |
-0.3 |
0.460 |
2 |
0 |
0 |
0.007 |
14 |
19 |
|
[ACE]C:1 |
3 |
1 |
171 |
cf |
C |
x,y,z |
1_555 |
6 |
2 |
1058 |
66.0 |
-0.2 |
0.787 |
2 |
0 |
0 |
0.143 |
15 |
20 |
|
[ACE]D:1 |
3 |
1 |
171 |
cf |
D |
x,y,z |
1_555 |
6 |
2 |
1065 |
64.7 |
-0.1 |
0.782 |
2 |
0 |
0 |
0.143 |
16 |
21 |
|
[MCM]D:6 |
12 |
1 |
335 |
◊ |
[MCM]C:6 |
x,y,z |
1_555 |
12 |
1 |
334 |
58.3 |
3.4 |
0.001 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
[GOL]C:101 |
4 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
1058 |
58.0 |
0.1 |
0.632 |
2 |
0 |
0 |
0.005 |
18 |
23 |
|
[MCM]D:6 |
3 |
1 |
335 |
cf |
D |
x,y,z |
1_555 |
6 |
2 |
1065 |
44.6 |
0.3 |
0.319 |
0 |
0 |
0 |
0.000 |
24 |
|
[MCM]C:6 |
3 |
1 |
334 |
cf |
C |
x,y,z |
1_555 |
7 |
2 |
1058 |
44.4 |
0.3 |
0.324 |
0 |
0 |
0 |
0.000 |
Average: |
44.5 |
0.3 |
0.321 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
[GOL]B:404 |
4 |
1 |
220 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
14346 |
43.4 |
0.6 |
0.758 |
1 |
0 |
0 |
0.000 |
20 |
26 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
14346 |
38.6 |
-27.7 |
0.000 |
0 |
0 |
0 |
0.180 |
27 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
14591 |
38.4 |
-27.7 |
0.000 |
0 |
0 |
0 |
0.180 |
Average: |
38.5 |
-27.7 |
0.000 |
0 |
0 |
0 |
0.180 |
21 |
28 |
|
[ACE]C:1 |
3 |
1 |
171 |
◊ |
[GOL]C:101 |
x,y,z |
1_555 |
3 |
1 |
219 |
26.8 |
0.2 |
0.776 |
1 |
0 |
0 |
0.002 |
22 |
29 |
|
[ZN]B:402 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
1065 |
26.4 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.074 |
30 |
|
[ZN]A:401 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
1058 |
26.3 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.074 |
Average: |
26.3 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.074 |
23 |
31 |
|
B |
3 |
3 |
14591 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
14591 |
20.7 |
0.7 |
0.803 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
[ACE]C:1 |
1 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14346 |
11.9 |
0.3 |
0.761 |
0 |
0 |
0 |
0.000 |
25 |
33 |
|
[MCM]C:6 |
1 |
1 |
334 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
1065 |
10.7 |
0.3 |
0.576 |
0 |
0 |
0 |
0.000 |
34 |
|
[MCM]D:6 |
1 |
1 |
335 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
1058 |
10.7 |
0.3 |
0.576 |
0 |
0 |
0 |
0.000 |
Average: |
10.7 |
0.3 |
0.576 |
0 |
0 |
0 |
0.000 |
26 |
35 |
|
B |
1 |
1 |
14591 |
x |
B |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
14591 |
7.1 |
0.0 |
0.468 |
0 |
0 |
0 |
0.000 |
27 |
36 |
|
[ACE]D:1 |
1 |
1 |
171 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14591 |
5.7 |
0.1 |
0.736 |
0 |
0 |
0 |
0.000 |
28 |
37 |
|
[ACE]C:1 |
1 |
1 |
171 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
14591 |
5.0 |
-0.2 |
0.551 |
0 |
0 |
0 |
0.000 |
29 |
38 |
|
[ACE]D:1 |
1 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14346 |
0.3 |
-0.0 |
0.629 |
0 |
0 |
0 |
0.000 |
|