## |
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 |
96 |
29 |
9162 |
◊ |
A |
x,y,z |
1_555 |
102 |
28 |
9102 |
995.8 |
-7.6 |
0.293 |
21 |
2 |
0 |
0.592 |
2 |
|
B |
100 |
28 |
9089 |
◊ |
A |
x,y,z |
1_555 |
96 |
30 |
9102 |
993.9 |
-9.1 |
0.244 |
22 |
2 |
0 |
0.592 |
3 |
|
C |
100 |
27 |
9162 |
◊ |
B |
x,y,z |
1_555 |
98 |
30 |
9089 |
980.0 |
-9.0 |
0.262 |
20 |
2 |
0 |
0.592 |
Average: |
989.9 |
-8.6 |
0.266 |
21 |
2 |
0 |
0.592 |
2 |
4 |
|
[425]A:401 |
22 |
1 |
1583 |
◊ |
A |
x,y,z |
1_555 |
32 |
10 |
9102 |
258.8 |
-2.0 |
0.464 |
4 |
0 |
0 |
0.037 |
3 |
5 |
|
[425]A:401 |
22 |
1 |
1583 |
◊ |
C |
x,y,z |
1_555 |
34 |
10 |
9162 |
258.1 |
-2.4 |
0.428 |
3 |
0 |
0 |
0.103 |
4 |
6 |
|
[425]A:401 |
22 |
1 |
1583 |
◊ |
B |
x,y,z |
1_555 |
33 |
10 |
9089 |
255.0 |
-2.5 |
0.446 |
2 |
0 |
0 |
0.093 |
5 |
7 |
|
C |
26 |
10 |
9162 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
22 |
6 |
9102 |
222.9 |
-0.7 |
0.592 |
2 |
2 |
0 |
0.036 |
6 |
8 |
|
C |
30 |
9 |
9162 |
x |
C |
-x-1,y-1/2,-z |
2_445 |
24 |
6 |
9162 |
216.8 |
-0.4 |
0.616 |
1 |
1 |
0 |
0.000 |
7 |
9 |
|
A |
21 |
5 |
9102 |
x |
A |
-x-1,y-1/2,-z-1 |
2_444 |
21 |
6 |
9102 |
184.6 |
-1.0 |
0.510 |
2 |
0 |
0 |
0.000 |
8 |
10 |
|
C |
21 |
8 |
9162 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
18 |
8 |
9089 |
171.4 |
1.7 |
0.845 |
1 |
2 |
0 |
0.000 |
9 |
11 |
|
A |
14 |
4 |
9102 |
◊ |
[425]A:401 |
-x-1,y-1/2,-z-1 |
2_444 |
20 |
1 |
1583 |
159.3 |
-0.5 |
0.618 |
1 |
0 |
0 |
0.010 |
10 |
12 |
|
C |
13 |
5 |
9162 |
◊ |
B |
x-1,y,z |
1_455 |
21 |
8 |
9089 |
142.6 |
0.2 |
0.686 |
2 |
1 |
0 |
0.000 |
11 |
13 |
|
A |
7 |
2 |
9102 |
x |
A |
-x,y-1/2,-z-1 |
2_544 |
14 |
4 |
9102 |
103.5 |
-1.5 |
0.305 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
A |
13 |
5 |
9102 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
10 |
3 |
9089 |
92.3 |
0.7 |
0.737 |
1 |
0 |
0 |
0.000 |
13 |
15 |
|
[ACT]C:401 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
9162 |
81.0 |
0.4 |
0.765 |
2 |
0 |
0 |
0.016 |
14 |
16 |
|
[ACT]B:402 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
9089 |
81.0 |
0.2 |
0.723 |
1 |
0 |
0 |
0.000 |
15 |
17 |
|
[ACT]A:406 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
9102 |
74.4 |
0.5 |
0.752 |
2 |
0 |
0 |
0.011 |
16 |
18 |
|
[ACT]A:407 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
9102 |
68.8 |
0.6 |
0.786 |
1 |
0 |
0 |
0.000 |
19 |
|
[ACT]B:403 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
9162 |
65.2 |
0.6 |
0.828 |
1 |
0 |
0 |
0.000 |
Average: |
67.0 |
0.6 |
0.807 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
[ACT]A:408 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
9102 |
68.7 |
-0.1 |
0.614 |
1 |
0 |
0 |
0.010 |
18 |
21 |
|
[ACT]A:408 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
9089 |
50.6 |
-0.3 |
0.631 |
1 |
0 |
0 |
0.000 |
19 |
22 |
|
C |
4 |
2 |
9162 |
◊ |
[ACT]A:404 |
-x-1,y-1/2,-z-1 |
2_444 |
4 |
1 |
183 |
48.4 |
0.0 |
0.673 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
A |
6 |
2 |
9102 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
5 |
2 |
9162 |
46.4 |
1.5 |
0.864 |
1 |
1 |
0 |
0.000 |
21 |
24 |
|
[ACT]A:404 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
9102 |
44.4 |
0.6 |
0.822 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
[ACT]B:403 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
9089 |
43.1 |
0.6 |
0.780 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
[ACT]A:407 |
3 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
9162 |
42.1 |
0.5 |
0.757 |
0 |
0 |
0 |
0.000 |
24 |
27 |
|
[ZN]B:401 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
9089 |
37.3 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.626 |
28 |
|
[ZN]A:402 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
9102 |
36.2 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.626 |
Average: |
36.8 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.626 |
25 |
29 |
|
C |
2 |
1 |
9162 |
f |
[ACT]B:402 |
x-1,y,z |
1_455 |
3 |
1 |
183 |
33.2 |
0.0 |
0.701 |
1 |
0 |
0 |
0.013 |
26 |
30 |
|
[ZN]A:403 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
9102 |
32.2 |
-15.3 |
0.000 |
0 |
0 |
0 |
0.390 |
27 |
31 |
|
C |
3 |
1 |
9162 |
cf |
[ZN]B:401 |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
98 |
30.7 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.378 |
28 |
32 |
|
A |
4 |
2 |
9102 |
◊ |
[ACT]A:408 |
-x,y-1/2,-z-1 |
2_544 |
3 |
1 |
183 |
29.7 |
-0.1 |
0.726 |
0 |
0 |
0 |
0.001 |
29 |
33 |
|
[ACT]A:404 |
3 |
1 |
183 |
f |
[ZN]A:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.8 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.509 |
34 |
|
[ACT]A:408 |
3 |
1 |
183 |
f |
[ZN]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.3 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.509 |
Average: |
26.5 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.509 |
30 |
35 |
|
[ZN]A:405 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
9162 |
27.6 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.309 |
36 |
|
[ZN]A:405 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
9089 |
27.2 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.309 |
37 |
|
[ZN]A:405 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
9102 |
26.4 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.309 |
Average: |
27.1 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.309 |
31 |
38 |
|
C |
7 |
3 |
9162 |
◊ |
[ZN]A:403 |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
98 |
26.1 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.231 |
32 |
39 |
|
[ZN]B:401 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
9162 |
16.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
|
[ZN]A:402 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
9089 |
13.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
14.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
41 |
|
A |
3 |
2 |
9102 |
◊ |
[ZN]A:402 |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
98 |
13.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.109 |
34 |
42 |
|
C |
2 |
2 |
9162 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
2 |
9102 |
6.1 |
0.1 |
0.701 |
0 |
0 |
0 |
0.000 |
|