## |
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 |
|
A |
54 |
23 |
11345 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
62 |
23 |
11062 |
497.6 |
-0.5 |
0.708 |
9 |
7 |
0 |
0.000 |
2 |
2 |
|
A |
56 |
18 |
11345 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
58 |
20 |
11062 |
492.2 |
-1.9 |
0.587 |
10 |
0 |
0 |
0.000 |
3 |
3 |
|
B |
54 |
13 |
11062 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
56 |
17 |
11345 |
487.4 |
-2.9 |
0.459 |
10 |
3 |
0 |
0.000 |
4 |
4 |
|
A |
26 |
11 |
11345 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
28 |
11 |
11062 |
219.0 |
-1.7 |
0.438 |
2 |
0 |
0 |
0.000 |
5 |
5 |
|
A |
13 |
5 |
11345 |
◊ |
B |
-x+1/2,-y+2,z-1/2 |
2_574 |
19 |
9 |
11062 |
143.1 |
0.6 |
0.708 |
2 |
0 |
0 |
0.000 |
6 |
6 |
|
[EDO]A:265 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
24 |
10 |
11345 |
109.1 |
1.7 |
0.376 |
3 |
0 |
0 |
0.000 |
7 |
7 |
|
[EDO]B:265 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
11062 |
108.3 |
2.2 |
0.319 |
3 |
0 |
0 |
0.000 |
8 |
8 |
|
B |
15 |
5 |
11062 |
x |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
7 |
3 |
11062 |
79.4 |
-0.1 |
0.553 |
0 |
0 |
0 |
0.000 |
9 |
9 |
|
[CL]A:263 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
11345 |
59.1 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.008 |
10 |
|
[CL]B:263 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
11062 |
57.6 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
58.4 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.008 |
10 |
11 |
|
[CL]B:1266 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
11062 |
56.2 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.005 |
11 |
12 |
|
[ZN]A:264 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
11345 |
49.2 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.021 |
13 |
|
[ZN]B:264 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
11062 |
39.3 |
-18.3 |
0.000 |
0 |
0 |
0 |
0.021 |
Average: |
44.2 |
-20.9 |
0.000 |
0 |
0 |
0 |
0.021 |
12 |
14 |
|
[ZN]B:262 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
11062 |
39.8 |
-27.8 |
0.000 |
0 |
0 |
0 |
0.024 |
15 |
|
[ZN]A:262 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
11345 |
39.6 |
-27.9 |
0.000 |
0 |
0 |
0 |
0.024 |
Average: |
39.7 |
-27.8 |
0.000 |
0 |
0 |
0 |
0.024 |
13 |
16 |
|
[ZN]A:261 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
11345 |
36.5 |
-26.6 |
0.000 |
0 |
0 |
0 |
0.023 |
17 |
|
[ZN]B:261 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
11062 |
35.1 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.023 |
Average: |
35.8 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.023 |
14 |
18 |
|
[CL]B:1266 |
1 |
1 |
125 |
f |
[ZN]B:264 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.7 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.011 |
15 |
19 |
|
[EDO]B:265 |
2 |
1 |
188 |
cf |
[ZN]B:261 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.2 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.008 |
16 |
20 |
|
[EDO]A:265 |
3 |
1 |
188 |
cf |
[ZN]A:261 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.8 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.009 |
17 |
21 |
|
[CL]B:263 |
1 |
1 |
125 |
f |
[ZN]B:262 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.1 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.010 |
18 |
22 |
|
[CL]A:263 |
1 |
1 |
125 |
f |
[ZN]A:262 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.9 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.012 |
19 |
23 |
|
[EDO]A:265 |
2 |
1 |
188 |
f |
[CL]A:263 |
x,y,z |
1_555 |
1 |
1 |
125 |
9.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
B |
2 |
1 |
11062 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11345 |
8.1 |
0.0 |
0.556 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[CL]B:263 |
1 |
1 |
125 |
f |
[ZN]B:261 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.003 |
22 |
26 |
|
[EDO]B:265 |
2 |
1 |
188 |
f |
[CL]B:263 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
[CL]A:263 |
1 |
1 |
125 |
f |
[ZN]A:261 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.003 |
|