## |
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 |
|
C |
55 |
17 |
10862 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
58 |
16 |
11013 |
495.4 |
-1.6 |
0.543 |
10 |
0 |
0 |
0.000 |
2 |
|
D |
55 |
17 |
11013 |
◊ |
B |
x,y,z |
1_555 |
52 |
15 |
10909 |
495.3 |
-2.1 |
0.475 |
9 |
0 |
0 |
0.000 |
3 |
|
A |
50 |
15 |
10869 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
57 |
17 |
10909 |
492.5 |
-2.7 |
0.420 |
9 |
0 |
0 |
0.000 |
4 |
|
C |
54 |
15 |
10862 |
◊ |
A |
x,y,z |
1_555 |
56 |
16 |
10869 |
480.9 |
-1.8 |
0.514 |
10 |
0 |
0 |
0.000 |
Average: |
491.0 |
-2.0 |
0.488 |
10 |
0 |
0 |
0.000 |
2 |
5 |
|
B |
56 |
18 |
10909 |
◊ |
A |
x,y,z |
1_555 |
56 |
18 |
10869 |
483.1 |
-2.5 |
0.421 |
3 |
0 |
0 |
0.000 |
6 |
|
A |
49 |
17 |
10869 |
◊ |
C |
-x,y-1/2,-z-1/2 |
4_544 |
57 |
18 |
10862 |
464.8 |
-3.2 |
0.356 |
2 |
0 |
0 |
0.000 |
Average: |
474.0 |
-2.9 |
0.389 |
3 |
0 |
0 |
0.000 |
3 |
7 |
|
C |
28 |
10 |
10862 |
◊ |
B |
x-1/2,-y+1/2,-z |
3_455 |
21 |
10 |
10909 |
198.3 |
2.7 |
0.820 |
3 |
5 |
0 |
0.000 |
8 |
|
D |
22 |
10 |
11013 |
◊ |
A |
x,y,z |
1_555 |
22 |
9 |
10869 |
145.2 |
0.5 |
0.665 |
0 |
0 |
0 |
0.000 |
Average: |
171.7 |
1.6 |
0.742 |
2 |
3 |
0 |
0.000 |
4 |
9 |
|
C |
18 |
5 |
10862 |
◊ |
B |
x-1,y,z |
1_455 |
23 |
6 |
10909 |
191.6 |
-0.6 |
0.534 |
1 |
0 |
0 |
0.000 |
10 |
|
A |
15 |
5 |
10869 |
◊ |
D |
x-1/2,-y-1/2,-z |
3_445 |
13 |
3 |
11013 |
140.3 |
-1.1 |
0.329 |
1 |
0 |
0 |
0.000 |
Average: |
165.9 |
-0.9 |
0.431 |
1 |
0 |
0 |
0.000 |
5 |
11 |
|
D |
19 |
11 |
11013 |
◊ |
A |
x-1/2,-y-1/2,-z |
3_445 |
14 |
9 |
10869 |
129.1 |
2.2 |
0.851 |
1 |
0 |
0 |
0.000 |
12 |
|
C |
19 |
11 |
10862 |
◊ |
B |
x,y,z |
1_555 |
15 |
10 |
10909 |
120.0 |
1.8 |
0.819 |
1 |
0 |
0 |
0.000 |
Average: |
124.6 |
2.0 |
0.835 |
1 |
0 |
0 |
0.000 |
6 |
13 |
|
[PEG]B:292 |
7 |
1 |
251 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
10909 |
122.7 |
2.5 |
0.321 |
1 |
0 |
0 |
0.000 |
7 |
14 |
|
[SO4]D:291 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
19 |
8 |
11013 |
108.4 |
-17.7 |
0.658 |
6 |
0 |
0 |
0.092 |
8 |
15 |
|
[SO4]B:291 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
10909 |
100.5 |
-16.7 |
0.649 |
7 |
0 |
0 |
0.107 |
9 |
16 |
|
[SO4]A:291 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
10869 |
100.4 |
-17.0 |
0.654 |
6 |
0 |
0 |
0.055 |
10 |
17 |
|
[SO4]C:291 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
10862 |
100.1 |
-16.3 |
0.734 |
8 |
0 |
0 |
0.092 |
11 |
18 |
|
[ACT]A:292 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
10869 |
94.7 |
-0.1 |
0.700 |
1 |
0 |
0 |
0.002 |
12 |
19 |
|
[PEG]B:295 |
7 |
1 |
253 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
10909 |
93.5 |
0.8 |
0.137 |
1 |
0 |
0 |
0.000 |
13 |
20 |
|
[PEG]A:293 |
7 |
1 |
251 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
10869 |
90.3 |
2.1 |
0.208 |
0 |
0 |
0 |
0.000 |
14 |
21 |
|
[ACT]D:292 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
11013 |
89.5 |
0.4 |
0.758 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
[ACT]D:294 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
11013 |
88.0 |
0.1 |
0.670 |
2 |
0 |
0 |
0.004 |
16 |
23 |
|
[ACT]C:292 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
17 |
5 |
10862 |
84.8 |
0.3 |
0.733 |
1 |
0 |
0 |
0.000 |
17 |
24 |
|
[ACT]D:293 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
11013 |
79.8 |
-1.0 |
0.544 |
0 |
0 |
0 |
0.005 |
18 |
25 |
|
[PEG]B:295 |
6 |
1 |
253 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
10869 |
78.5 |
2.1 |
0.304 |
1 |
0 |
0 |
0.000 |
19 |
26 |
|
[ACT]B:294 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
10909 |
73.9 |
-0.7 |
0.572 |
1 |
0 |
0 |
0.006 |
20 |
27 |
|
[PEG]A:295 |
3 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
10869 |
72.9 |
1.4 |
0.425 |
1 |
0 |
0 |
0.000 |
21 |
28 |
|
C |
16 |
6 |
10862 |
f |
[ACT]B:293 |
x-1/2,-y+1/2,-z |
3_455 |
4 |
1 |
183 |
67.1 |
-0.7 |
0.626 |
0 |
0 |
0 |
0.003 |
22 |
29 |
|
[PEG]A:295 |
5 |
1 |
258 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
10 |
3 |
10909 |
66.9 |
2.0 |
0.358 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
[ACT]B:293 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
10909 |
64.0 |
0.3 |
0.787 |
1 |
0 |
0 |
0.000 |
24 |
31 |
|
[ACT]B:294 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
10869 |
56.3 |
-0.4 |
0.596 |
1 |
0 |
0 |
0.000 |
25 |
32 |
|
[NA]A:294 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
10869 |
53.4 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.024 |
26 |
33 |
|
[ACT]D:293 |
4 |
1 |
183 |
◊ |
A |
x-1/2,-y-1/2,-z |
3_445 |
9 |
5 |
10869 |
46.4 |
0.4 |
0.720 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
C |
7 |
3 |
10862 |
f |
[ACT]D:292 |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
183 |
43.0 |
-0.9 |
0.501 |
0 |
0 |
0 |
0.004 |
28 |
35 |
|
[NA]A:294 |
1 |
1 |
125 |
f |
[SO4]A:291 |
x,y,z |
1_555 |
4 |
1 |
185 |
37.1 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.022 |
29 |
36 |
|
D |
4 |
2 |
11013 |
x |
D |
x-1/2,-y-1/2,-z |
3_445 |
2 |
1 |
11013 |
35.1 |
2.0 |
0.933 |
0 |
0 |
0 |
0.000 |
30 |
37 |
|
[ACT]B:294 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
10862 |
28.1 |
-0.0 |
0.732 |
0 |
0 |
0 |
0.000 |
31 |
38 |
|
D |
4 |
1 |
11013 |
◊ |
[PEG]A:293 |
x-1/2,-y-1/2,-z |
3_445 |
2 |
1 |
251 |
23.7 |
1.0 |
0.505 |
0 |
0 |
0 |
0.000 |
32 |
39 |
|
[ACT]D:293 |
3 |
1 |
183 |
◊ |
[PEG]A:293 |
x-1/2,-y-1/2,-z |
3_445 |
1 |
1 |
251 |
22.7 |
0.9 |
0.612 |
0 |
0 |
0 |
0.000 |
33 |
40 |
|
C |
2 |
2 |
10862 |
◊ |
D |
x-1/2,-y-1/2,-z |
3_445 |
4 |
2 |
11013 |
18.5 |
-0.1 |
0.393 |
0 |
0 |
0 |
0.000 |
41 |
|
A |
2 |
2 |
10869 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
2 |
10862 |
13.5 |
0.0 |
0.452 |
0 |
0 |
0 |
0.000 |
Average: |
16.0 |
-0.0 |
0.423 |
0 |
0 |
0 |
0.000 |
34 |
42 |
|
[PEG]A:293 |
1 |
1 |
251 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
11013 |
4.8 |
-0.0 |
0.341 |
0 |
0 |
0 |
0.000 |
|