## |
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 |
55 |
15 |
9148 |
◊ |
A |
x,y,z |
1_555 |
56 |
19 |
9266 |
486.9 |
-4.8 |
0.257 |
7 |
5 |
0 |
0.015 |
2 |
2 |
|
B |
48 |
17 |
9148 |
◊ |
A |
-y+1,-x+1,-z |
8_665 |
54 |
14 |
9266 |
461.1 |
-3.6 |
0.362 |
6 |
2 |
0 |
0.012 |
3 |
3 |
|
A |
30 |
8 |
9266 |
◊ |
A |
x,-y+1/2,-z+1/4 |
6_555 |
30 |
8 |
9266 |
267.1 |
3.1 |
0.892 |
8 |
4 |
0 |
0.002 |
4 |
4 |
|
B |
32 |
12 |
9148 |
◊ |
B |
y+1,x-1,-z |
15_534 |
32 |
12 |
9148 |
267.1 |
-1.2 |
0.506 |
6 |
4 |
0 |
0.004 |
5 |
5 |
|
B |
37 |
15 |
9148 |
◊ |
A |
y+1,x-1,-z |
15_534 |
24 |
8 |
9266 |
261.8 |
-2.5 |
0.358 |
1 |
4 |
0 |
0.006 |
6 |
6 |
|
A |
16 |
5 |
9266 |
◊ |
B |
-y+1,x-1/2,z+1/4 |
3_645 |
16 |
4 |
9148 |
148.5 |
-1.1 |
0.354 |
3 |
0 |
0 |
0.004 |
7 |
7 |
|
[EDO]B:238 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
21 |
7 |
9148 |
120.9 |
3.3 |
0.448 |
4 |
0 |
0 |
0.000 |
8 |
8 |
|
[EDO]A:239 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
9266 |
114.6 |
4.0 |
0.652 |
4 |
0 |
0 |
0.000 |
9 |
9 |
|
[EDO]A:240 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
20 |
10 |
9266 |
113.6 |
3.7 |
0.628 |
1 |
0 |
0 |
0.000 |
10 |
10 |
|
[CL]A:311 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
9266 |
85.1 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.054 |
11 |
11 |
|
[EDO]A:238 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
9266 |
75.1 |
1.2 |
0.628 |
2 |
0 |
0 |
0.000 |
12 |
12 |
|
B |
11 |
4 |
9148 |
◊ |
B |
-x+3/2,y,-z-1/4 |
5_654 |
11 |
4 |
9148 |
69.1 |
2.6 |
0.916 |
2 |
0 |
0 |
0.000 |
13 |
13 |
|
[CL]A:310 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
9266 |
66.8 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.042 |
14 |
14 |
|
[ZN]B:321 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
6 |
5 |
9148 |
50.2 |
-37.9 |
0.000 |
0 |
0 |
0 |
0.069 |
15 |
15 |
|
[ZN]A:326 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
9266 |
49.8 |
-35.9 |
0.000 |
0 |
0 |
0 |
0.161 |
16 |
|
[ZN]B:328 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
8 |
4 |
9148 |
37.4 |
-25.7 |
0.000 |
0 |
0 |
0 |
0.161 |
Average: |
43.6 |
-30.8 |
0.000 |
0 |
0 |
0 |
0.161 |
16 |
17 |
|
[ZN]A:316 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
9266 |
49.0 |
-37.0 |
0.000 |
0 |
0 |
0 |
0.166 |
17 |
18 |
|
[ZN]A:320 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
9266 |
47.3 |
-25.7 |
0.000 |
0 |
0 |
0 |
0.115 |
19 |
|
[ZN]B:325 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
9148 |
46.9 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.115 |
Average: |
47.1 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.115 |
18 |
20 |
|
[ZN]B:313 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
9148 |
46.4 |
-27.7 |
0.000 |
0 |
0 |
0 |
0.051 |
19 |
21 |
|
[ZN]A:314 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
9266 |
46.1 |
-26.9 |
0.000 |
0 |
0 |
0 |
0.121 |
22 |
|
[ZN]B:318 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
9148 |
41.9 |
-24.5 |
0.000 |
0 |
0 |
0 |
0.121 |
Average: |
44.0 |
-25.7 |
0.000 |
0 |
0 |
0 |
0.121 |
20 |
23 |
|
[ZN]B:322 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
9148 |
44.0 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.044 |
21 |
24 |
|
[ZN]A:329 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
9266 |
42.5 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.087 |
25 |
|
[ZN]B:312 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
9148 |
41.2 |
-18.8 |
0.000 |
0 |
0 |
0 |
0.087 |
Average: |
41.8 |
-19.1 |
0.000 |
0 |
0 |
0 |
0.087 |
22 |
26 |
|
[ZN]B:319 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
9148 |
41.7 |
-21.3 |
0.000 |
0 |
0 |
0 |
0.092 |
27 |
|
[ZN]A:317 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
9266 |
39.9 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.092 |
Average: |
40.8 |
-20.9 |
0.000 |
0 |
0 |
0 |
0.092 |
23 |
28 |
|
[ZN]A:330 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
9266 |
40.3 |
-23.4 |
0.000 |
0 |
0 |
0 |
0.043 |
24 |
29 |
|
[ZN]B:323 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
9148 |
39.2 |
-23.2 |
0.000 |
0 |
0 |
0 |
0.069 |
30 |
|
[ZN]A:324 |
1 |
1 |
98 |
f |
A |
x,-y+1/2,-z+1/4 |
6_555 |
5 |
2 |
9266 |
32.8 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.069 |
Average: |
36.0 |
-18.9 |
0.000 |
0 |
0 |
0 |
0.069 |
25 |
31 |
|
[ZN]B:315 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
9148 |
36.9 |
-17.0 |
0.000 |
0 |
0 |
0 |
0.031 |
26 |
32 |
|
[ZN]B:315 |
1 |
1 |
98 |
◊ |
B |
y+1,x-1,-z |
15_534 |
6 |
2 |
9148 |
36.6 |
-16.4 |
0.000 |
0 |
0 |
0 |
0.056 |
33 |
|
[ZN]B:322 |
1 |
1 |
98 |
◊ |
A |
y+1,x-1,-z |
15_534 |
3 |
1 |
9266 |
33.4 |
-15.1 |
0.000 |
0 |
0 |
0 |
0.056 |
Average: |
35.0 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.056 |
27 |
34 |
|
[ZN]A:324 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
9266 |
36.2 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.084 |
28 |
35 |
|
[ZN]B:327 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
9148 |
33.8 |
-22.4 |
0.000 |
0 |
0 |
0 |
0.041 |
29 |
36 |
|
[ZN]A:330 |
1 |
1 |
98 |
cf |
B |
-y+1,-x+1,-z |
8_665 |
5 |
3 |
9148 |
33.7 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.027 |
30 |
37 |
|
[ZN]B:318 |
1 |
1 |
98 |
◊ |
A |
y+1,x-1,-z |
15_534 |
3 |
1 |
9266 |
31.9 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.025 |
31 |
38 |
|
[ZN]B:327 |
1 |
1 |
98 |
◊ |
A |
-y+1,-x+1,-z |
8_665 |
6 |
3 |
9266 |
30.7 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.052 |
39 |
|
[ZN]B:323 |
1 |
1 |
98 |
◊ |
A |
-y+1,-x+1,-z |
8_665 |
6 |
3 |
9266 |
27.4 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.052 |
40 |
|
[ZN]A:316 |
1 |
1 |
98 |
◊ |
B |
-y+1,-x+1,-z |
8_665 |
1 |
1 |
9148 |
5.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.052 |
Average: |
21.1 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.052 |
32 |
41 |
|
[ZN]B:328 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
9266 |
30.5 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.024 |
33 |
42 |
|
[EDO]A:240 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
9148 |
15.3 |
0.4 |
0.876 |
0 |
0 |
0 |
0.000 |
34 |
43 |
|
[ZN]A:324 |
1 |
1 |
98 |
◊ |
[ZN]A:324 |
x,-y+1/2,-z+1/4 |
6_555 |
1 |
1 |
98 |
12.5 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.022 |
35 |
44 |
|
[ZN]B:315 |
1 |
1 |
98 |
◊ |
A |
y+1,x-1,-z |
15_534 |
2 |
2 |
9266 |
9.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.006 |
36 |
45 |
|
[ZN]B:327 |
1 |
1 |
98 |
f |
[ZN]B:323 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.0 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.012 |
37 |
46 |
|
[ZN]B:313 |
1 |
1 |
98 |
◊ |
A |
y+1,x-1,-z |
15_534 |
2 |
2 |
9266 |
5.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.004 |
38 |
47 |
|
[ZN]B:315 |
1 |
1 |
98 |
f |
[ZN]B:313 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.004 |
|