## |
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 |
|
D |
52 |
16 |
9325 |
◊ |
A |
x,y,z |
1_555 |
54 |
15 |
9158 |
492.0 |
-4.3 |
0.318 |
4 |
0 |
0 |
0.000 |
2 |
|
C |
53 |
14 |
9396 |
◊ |
B |
x,y,z |
1_555 |
53 |
16 |
9350 |
444.9 |
-5.1 |
0.247 |
3 |
0 |
0 |
0.000 |
Average: |
468.4 |
-4.7 |
0.283 |
4 |
0 |
0 |
0.000 |
2 |
3 |
|
D |
47 |
15 |
9325 |
◊ |
B |
x,y,z |
1_555 |
43 |
12 |
9350 |
439.8 |
0.7 |
0.703 |
9 |
0 |
0 |
0.000 |
3 |
4 |
|
D |
48 |
12 |
9325 |
◊ |
C |
x,y,z |
1_555 |
46 |
12 |
9396 |
430.5 |
-0.0 |
0.666 |
6 |
6 |
0 |
0.000 |
5 |
|
B |
46 |
13 |
9350 |
◊ |
A |
x,y,z |
1_555 |
44 |
12 |
9158 |
409.2 |
0.4 |
0.682 |
5 |
6 |
0 |
0.000 |
Average: |
419.9 |
0.2 |
0.674 |
6 |
6 |
0 |
0.000 |
4 |
6 |
|
A |
37 |
10 |
9158 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
37 |
11 |
9325 |
334.5 |
-0.6 |
0.599 |
4 |
3 |
0 |
0.000 |
7 |
|
B |
33 |
10 |
9350 |
◊ |
C |
-x+2,y-1/2,-z+3 |
2_748 |
37 |
10 |
9396 |
332.1 |
-0.2 |
0.650 |
6 |
3 |
0 |
0.000 |
Average: |
333.3 |
-0.4 |
0.625 |
5 |
3 |
0 |
0.000 |
5 |
8 |
|
A |
35 |
11 |
9158 |
◊ |
D |
-x+2,y-1/2,-z+2 |
2_747 |
34 |
8 |
9325 |
285.5 |
0.8 |
0.706 |
2 |
2 |
0 |
0.000 |
6 |
9 |
|
[8SQ]B:301 |
16 |
1 |
390 |
f |
B |
x,y,z |
1_555 |
34 |
13 |
9350 |
240.6 |
-2.5 |
0.434 |
4 |
0 |
0 |
0.010 |
7 |
10 |
|
[8SQ]D:301 |
16 |
1 |
388 |
f |
D |
x,y,z |
1_555 |
34 |
14 |
9325 |
234.3 |
-1.8 |
0.600 |
1 |
0 |
0 |
0.006 |
8 |
11 |
|
[PGE]D:303 |
10 |
1 |
323 |
f |
D |
x,y,z |
1_555 |
22 |
7 |
9325 |
133.6 |
2.2 |
0.178 |
3 |
0 |
0 |
0.000 |
9 |
12 |
|
[PGE]D:303 |
9 |
1 |
323 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
9350 |
128.8 |
3.3 |
0.308 |
1 |
0 |
0 |
0.000 |
10 |
13 |
|
[ACT]C:301 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
19 |
11 |
9396 |
97.1 |
-1.0 |
0.452 |
4 |
0 |
0 |
0.007 |
11 |
14 |
|
[ACT]A:301 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
9158 |
95.5 |
-0.9 |
0.440 |
3 |
0 |
0 |
0.005 |
12 |
15 |
|
[EDO]A:303 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
9350 |
92.3 |
2.1 |
0.239 |
2 |
0 |
0 |
0.000 |
13 |
16 |
|
D |
11 |
5 |
9325 |
x |
D |
x-1,y,z |
1_455 |
11 |
2 |
9325 |
90.1 |
1.2 |
0.792 |
1 |
2 |
0 |
0.000 |
14 |
17 |
|
[EDO]A:303 |
3 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
9158 |
49.9 |
0.9 |
0.705 |
1 |
0 |
0 |
0.000 |
15 |
18 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
9158 |
39.7 |
-27.4 |
0.000 |
0 |
0 |
0 |
0.067 |
19 |
|
[ZN]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
9396 |
39.4 |
-27.1 |
0.000 |
0 |
0 |
0 |
0.067 |
20 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
9350 |
37.0 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.067 |
21 |
|
[ZN]D:302 |
1 |
1 |
98 |
cf |
D |
x,y,z |
1_555 |
8 |
5 |
9325 |
36.9 |
-25.5 |
0.000 |
0 |
0 |
0 |
0.067 |
Average: |
38.3 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.067 |
16 |
22 |
|
C |
2 |
1 |
9396 |
x |
C |
x-1,y,z |
1_455 |
5 |
2 |
9396 |
39.0 |
1.0 |
0.877 |
0 |
1 |
0 |
0.000 |
17 |
23 |
|
[8SQ]D:301 |
3 |
1 |
388 |
f |
[ZN]D:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.7 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.033 |
18 |
24 |
|
[8SQ]B:301 |
3 |
1 |
390 |
f |
[ZN]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.5 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.031 |
19 |
25 |
|
[ACT]A:301 |
3 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
9325 |
28.8 |
-1.0 |
0.283 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
[ZN]C:302 |
1 |
1 |
98 |
f |
[ACT]C:301 |
x,y,z |
1_555 |
3 |
1 |
182 |
28.0 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.029 |
27 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
[ACT]A:301 |
x,y,z |
1_555 |
3 |
1 |
183 |
27.0 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.029 |
Average: |
27.5 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.029 |
21 |
28 |
|
[ACT]C:301 |
3 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
9350 |
27.5 |
0.1 |
0.723 |
0 |
0 |
0 |
0.000 |
22 |
29 |
|
B |
4 |
2 |
9350 |
◊ |
C |
-x+3,y-1/2,-z+3 |
2_848 |
4 |
1 |
9396 |
20.8 |
0.4 |
0.730 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
B |
2 |
2 |
9350 |
x |
B |
x-1,y,z |
1_455 |
2 |
2 |
9350 |
8.4 |
0.2 |
0.755 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
[8SQ]B:301 |
2 |
1 |
390 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
9325 |
7.8 |
0.1 |
0.716 |
0 |
0 |
0 |
0.000 |
25 |
32 |
|
[8SQ]D:301 |
2 |
1 |
388 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9158 |
4.0 |
-0.1 |
0.527 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
[8SQ]D:301 |
2 |
1 |
388 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
9350 |
1.8 |
-0.1 |
0.590 |
0 |
0 |
0 |
0.000 |
|