## |
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 |
92 |
25 |
6237 |
◊ |
A |
x,y,z |
1_555 |
91 |
24 |
6111 |
844.0 |
-13.3 |
0.057 |
11 |
2 |
0 |
0.082 |
2 |
2 |
|
B |
23 |
7 |
6237 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
32 |
11 |
6237 |
236.5 |
-0.8 |
0.593 |
2 |
0 |
0 |
0.000 |
3 |
3 |
|
B |
15 |
8 |
6237 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
15 |
8 |
6111 |
113.7 |
-0.1 |
0.625 |
0 |
2 |
0 |
0.002 |
4 |
4 |
|
[GOL]B:305 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
6237 |
96.2 |
-0.0 |
0.591 |
8 |
0 |
0 |
0.031 |
5 |
|
[GOL]A:305 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
6111 |
95.4 |
0.1 |
0.598 |
8 |
0 |
0 |
0.031 |
Average: |
95.8 |
0.0 |
0.595 |
8 |
0 |
0 |
0.031 |
5 |
6 |
|
A |
9 |
3 |
6111 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
8 |
3 |
6237 |
80.7 |
0.8 |
0.782 |
2 |
0 |
0 |
0.000 |
6 |
7 |
|
[ACT]B:126 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
6237 |
74.0 |
-0.3 |
0.644 |
2 |
0 |
0 |
0.005 |
7 |
8 |
|
[ACT]A:126 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
6111 |
71.1 |
-0.0 |
0.751 |
2 |
0 |
0 |
0.004 |
8 |
9 |
|
B |
10 |
5 |
6237 |
◊ |
[ACT]A:127 |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
1 |
183 |
64.0 |
-1.2 |
0.472 |
0 |
0 |
0 |
0.005 |
9 |
10 |
|
[ACT]B:127 |
4 |
1 |
183 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
9 |
5 |
6111 |
63.2 |
-1.2 |
0.462 |
0 |
0 |
0 |
0.005 |
10 |
11 |
|
A |
15 |
6 |
6111 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
9 |
2 |
6237 |
63.0 |
-0.2 |
0.597 |
1 |
0 |
0 |
0.000 |
11 |
12 |
|
[ZN]B:304 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
6237 |
47.2 |
-25.5 |
0.000 |
0 |
0 |
0 |
0.218 |
13 |
|
[ZN]A:304 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
6111 |
46.9 |
-24.1 |
0.000 |
0 |
0 |
0 |
0.218 |
Average: |
47.0 |
-24.8 |
0.000 |
0 |
0 |
0 |
0.218 |
12 |
14 |
|
[ACT]A:127 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
6111 |
42.3 |
1.3 |
0.884 |
1 |
0 |
0 |
0.000 |
13 |
15 |
|
[ACT]B:127 |
3 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
6237 |
41.8 |
1.1 |
0.867 |
1 |
0 |
0 |
0.000 |
14 |
16 |
|
[ZN]B:303 |
1 |
1 |
98 |
f |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
2 |
6111 |
38.4 |
-19.2 |
0.000 |
0 |
0 |
0 |
0.168 |
17 |
|
B |
3 |
2 |
6237 |
f |
[ZN]A:303 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
98 |
37.3 |
-18.9 |
0.000 |
0 |
0 |
0 |
0.168 |
Average: |
37.9 |
-19.1 |
0.000 |
0 |
0 |
0 |
0.168 |
15 |
18 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
6111 |
34.7 |
-16.7 |
0.000 |
0 |
0 |
0 |
0.146 |
19 |
|
[ZN]B:302 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
8 |
5 |
6237 |
34.2 |
-16.4 |
0.000 |
0 |
0 |
0 |
0.146 |
Average: |
34.5 |
-16.6 |
0.000 |
0 |
0 |
0 |
0.146 |
16 |
20 |
|
[ZN]B:303 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6237 |
34.2 |
-15.2 |
0.000 |
0 |
0 |
0 |
0.075 |
21 |
|
[ZN]A:303 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6111 |
4.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.075 |
Average: |
19.4 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.075 |
17 |
22 |
|
[ZN]A:301 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6111 |
33.8 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.120 |
23 |
|
[ZN]A:301 |
1 |
1 |
98 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
6237 |
32.6 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.120 |
Average: |
33.2 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.120 |
18 |
24 |
|
[CA]A:202 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
8 |
6111 |
31.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.047 |
25 |
|
[CA]B:202 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
7 |
6237 |
31.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.047 |
Average: |
31.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.047 |
19 |
26 |
|
[ACT]B:127 |
4 |
1 |
183 |
f |
[ACT]B:126 |
x,y,z |
1_555 |
3 |
1 |
183 |
31.4 |
0.3 |
0.843 |
0 |
0 |
0 |
0.000 |
20 |
27 |
|
[CA]B:201 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
6237 |
30.7 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.073 |
28 |
|
[CA]A:201 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
6111 |
30.3 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.073 |
Average: |
30.5 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.073 |
21 |
29 |
|
[ACT]A:127 |
4 |
1 |
183 |
f |
[ACT]A:126 |
x,y,z |
1_555 |
3 |
1 |
183 |
30.1 |
0.3 |
0.843 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[GOL]B:305 |
2 |
1 |
219 |
f |
[ACT]B:126 |
x,y,z |
1_555 |
1 |
1 |
183 |
28.0 |
-0.7 |
0.250 |
0 |
0 |
0 |
0.003 |
23 |
31 |
|
[GOL]A:305 |
3 |
1 |
219 |
f |
[ACT]A:126 |
x,y,z |
1_555 |
1 |
1 |
183 |
27.5 |
-0.7 |
0.479 |
0 |
0 |
0 |
0.003 |
24 |
32 |
|
[ACT]B:127 |
3 |
1 |
183 |
f |
[ZN]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.2 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.192 |
33 |
|
[ACT]A:127 |
3 |
1 |
183 |
f |
[ZN]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.8 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.192 |
34 |
|
[ACT]B:126 |
3 |
1 |
183 |
f |
[ZN]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.6 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.192 |
35 |
|
[ACT]A:126 |
3 |
1 |
183 |
f |
[ZN]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.4 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.192 |
Average: |
26.5 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.192 |
25 |
36 |
|
[GOL]A:305 |
4 |
1 |
219 |
f |
[CA]A:201 |
x,y,z |
1_555 |
1 |
1 |
85 |
26.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.036 |
37 |
|
[GOL]B:305 |
4 |
1 |
219 |
f |
[CA]B:201 |
x,y,z |
1_555 |
1 |
1 |
85 |
26.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
26.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.036 |
26 |
38 |
|
B |
2 |
2 |
6237 |
◊ |
[ACT]A:126 |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
183 |
14.8 |
0.3 |
0.734 |
0 |
0 |
0 |
0.000 |
27 |
39 |
|
[ZN]A:301 |
1 |
1 |
98 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
2 |
6111 |
12.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.037 |
40 |
|
[ZN]A:301 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
6237 |
10.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
11.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.037 |
28 |
41 |
|
A |
2 |
1 |
6111 |
◊ |
[ZN]B:304 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
98 |
10.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.024 |
42 |
|
[ZN]A:304 |
1 |
1 |
98 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
6237 |
4.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.024 |
Average: |
7.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.024 |
29 |
43 |
|
[ZN]B:303 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
6111 |
5.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
|
[ZN]A:303 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
6237 |
4.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
4.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
45 |
|
[ACT]B:126 |
2 |
1 |
183 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
2 |
6111 |
4.4 |
0.1 |
0.714 |
0 |
0 |
0 |
0.000 |
31 |
46 |
|
A |
1 |
1 |
6111 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
6111 |
0.5 |
0.0 |
0.663 |
0 |
0 |
0 |
0.000 |
|