## |
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 |
261 |
69 |
14806 |
◊ |
A |
x,y,z |
1_555 |
259 |
69 |
15389 |
2611.8 |
-38.0 |
0.299 |
24 |
13 |
0 |
0.265 |
2 |
|
E |
252 |
63 |
15320 |
◊ |
A |
x,y,z |
1_555 |
266 |
68 |
15389 |
2528.6 |
-32.9 |
0.424 |
24 |
13 |
0 |
0.265 |
3 |
|
E |
246 |
68 |
15320 |
◊ |
C |
x,y,z |
1_555 |
245 |
67 |
14773 |
2495.3 |
-38.4 |
0.194 |
15 |
10 |
0 |
0.265 |
4 |
|
D |
243 |
65 |
14672 |
◊ |
C |
x,y,z |
1_555 |
245 |
66 |
14773 |
2471.0 |
-36.7 |
0.230 |
16 |
10 |
0 |
0.265 |
5 |
|
D |
247 |
68 |
14672 |
◊ |
B |
x,y,z |
1_555 |
248 |
65 |
14806 |
2458.4 |
-33.2 |
0.413 |
18 |
11 |
0 |
0.265 |
Average: |
2513.0 |
-35.8 |
0.312 |
19 |
11 |
0 |
0.265 |
2 |
6 |
|
E |
75 |
21 |
15320 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
56 |
17 |
14806 |
596.9 |
0.4 |
0.945 |
12 |
5 |
0 |
0.000 |
3 |
7 |
|
E |
43 |
10 |
15320 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
56 |
17 |
15389 |
431.6 |
-2.9 |
0.764 |
8 |
0 |
0 |
0.000 |
4 |
8 |
|
C |
47 |
12 |
14773 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
44 |
8 |
14806 |
371.5 |
-2.9 |
0.711 |
3 |
0 |
0 |
0.016 |
5 |
9 |
|
D |
36 |
10 |
14672 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
29 |
10 |
15320 |
282.1 |
-1.0 |
0.785 |
1 |
2 |
0 |
0.008 |
6 |
10 |
|
D |
26 |
9 |
14672 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
29 |
8 |
15389 |
235.0 |
0.8 |
0.889 |
2 |
1 |
0 |
0.000 |
7 |
11 |
|
C |
16 |
5 |
14773 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
14 |
5 |
15389 |
128.3 |
0.3 |
0.758 |
1 |
1 |
0 |
0.000 |
8 |
12 |
|
C |
14 |
6 |
14773 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
14 |
4 |
15389 |
96.3 |
-1.1 |
0.603 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
[CL]A:304 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
15389 |
69.1 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.123 |
14 |
|
[CL]B:306 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
14806 |
66.3 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.123 |
15 |
|
[CL]E:303 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
13 |
5 |
15320 |
65.0 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.123 |
16 |
|
[CL]D:305 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
15 |
4 |
14672 |
61.4 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.123 |
17 |
|
[CL]D:306 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
14672 |
60.9 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.123 |
18 |
|
[CL]C:306 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
4 |
14773 |
60.3 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.123 |
Average: |
63.8 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.123 |
10 |
19 |
|
D |
8 |
4 |
14672 |
x |
D |
-x,y-1/2,-z-1/2 |
3_544 |
7 |
2 |
14672 |
68.3 |
0.6 |
0.780 |
1 |
1 |
0 |
0.000 |
11 |
20 |
|
[CL]B:305 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
14806 |
55.7 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.029 |
12 |
21 |
|
[CL]D:304 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
14672 |
48.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.056 |
22 |
|
[CL]B:304 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
14806 |
47.2 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.056 |
23 |
|
[CL]C:304 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
14773 |
42.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.056 |
24 |
|
[CL]C:305 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
14773 |
31.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.056 |
Average: |
42.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.056 |
13 |
25 |
|
[ZN]A:303 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
15389 |
45.8 |
-28.2 |
0.000 |
0 |
0 |
0 |
0.230 |
26 |
|
[ZN]C:303 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
14773 |
43.9 |
-25.6 |
0.000 |
0 |
0 |
0 |
0.230 |
27 |
|
[ZN]E:302 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
15320 |
42.8 |
-28.6 |
0.000 |
0 |
0 |
0 |
0.230 |
28 |
|
[ZN]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
14672 |
37.4 |
-21.8 |
0.000 |
0 |
0 |
0 |
0.230 |
29 |
|
[ZN]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
14806 |
37.0 |
-27.9 |
0.000 |
0 |
0 |
0 |
0.230 |
Average: |
41.4 |
-26.4 |
0.000 |
0 |
0 |
0 |
0.230 |
14 |
30 |
|
[ZN]C:307 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
14773 |
45.6 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.145 |
31 |
|
[ZN]D:303 |
1 |
1 |
98 |
f |
D |
-x,y-1/2,-z-1/2 |
3_544 |
8 |
2 |
14672 |
37.5 |
-19.0 |
0.000 |
0 |
0 |
0 |
0.145 |
32 |
|
[ZN]D:302 |
1 |
1 |
98 |
f |
E |
-x,y-1/2,-z-1/2 |
3_544 |
5 |
2 |
15320 |
27.7 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.145 |
Average: |
36.9 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.145 |
15 |
33 |
|
[ZN]C:302 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
15320 |
43.3 |
-22.6 |
0.000 |
0 |
0 |
0 |
0.181 |
34 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
15389 |
42.9 |
-22.5 |
0.000 |
0 |
0 |
0 |
0.181 |
35 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
14672 |
37.7 |
-17.1 |
0.000 |
0 |
0 |
0 |
0.181 |
36 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
14806 |
35.9 |
-17.2 |
0.000 |
0 |
0 |
0 |
0.181 |
37 |
|
[ZN]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
14773 |
32.3 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.181 |
Average: |
38.4 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.181 |
16 |
38 |
|
D |
9 |
4 |
14672 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
3 |
14773 |
42.4 |
0.7 |
0.847 |
0 |
0 |
0 |
0.000 |
17 |
39 |
|
[CL]B:304 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
15389 |
41.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.015 |
40 |
|
[CL]D:304 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
14806 |
40.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.015 |
41 |
|
[CL]C:304 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
14672 |
36.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
39.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.015 |
18 |
42 |
|
[CL]C:305 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
14672 |
41.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.006 |
19 |
43 |
|
[ZN]C:302 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
14773 |
37.2 |
-17.0 |
0.000 |
0 |
0 |
0 |
0.079 |
44 |
|
[ZN]A:301 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
15320 |
37.0 |
-17.2 |
0.000 |
0 |
0 |
0 |
0.079 |
45 |
|
[ZN]B:302 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
14806 |
30.7 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.079 |
46 |
|
[ZN]A:302 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
15389 |
30.7 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.079 |
47 |
|
[ZN]C:301 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
14672 |
28.0 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
32.7 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.079 |
20 |
48 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
14806 |
35.0 |
-17.9 |
0.000 |
0 |
0 |
0 |
0.067 |
21 |
49 |
|
[ZN]D:302 |
1 |
1 |
98 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
8 |
2 |
15389 |
30.1 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.016 |
22 |
50 |
|
[ZN]D:302 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
14672 |
28.8 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.053 |
23 |
51 |
|
C |
3 |
2 |
14773 |
◊ |
[CL]B:305 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
125 |
28.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.013 |
24 |
52 |
|
[ZN]D:303 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
14672 |
27.6 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
53 |
|
C |
5 |
2 |
14773 |
◊ |
[ZN]B:301 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
98 |
27.1 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.045 |
26 |
54 |
|
[CL]B:306 |
1 |
1 |
125 |
f |
[ZN]B:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.9 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.052 |
27 |
55 |
|
[CL]C:306 |
1 |
1 |
125 |
f |
[ZN]C:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.6 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.051 |
28 |
56 |
|
[CL]E:303 |
1 |
1 |
125 |
f |
[ZN]E:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.2 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.061 |
29 |
57 |
|
[CL]A:304 |
1 |
1 |
125 |
f |
[ZN]A:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.2 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.018 |
30 |
58 |
|
[CL]B:305 |
1 |
1 |
125 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.0 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.044 |
31 |
59 |
|
[CL]D:305 |
1 |
1 |
125 |
f |
[ZN]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.8 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.052 |
32 |
60 |
|
[CL]B:304 |
1 |
1 |
125 |
f |
[ZN]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.6 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.045 |
33 |
61 |
|
[CL]D:304 |
1 |
1 |
125 |
f |
[ZN]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.3 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.054 |
34 |
62 |
|
[ZN]D:303 |
1 |
1 |
98 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
5 |
1 |
14773 |
21.4 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.013 |
63 |
|
[ZN]C:307 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
15320 |
2.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
11.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.013 |
35 |
64 |
|
[CL]D:306 |
1 |
1 |
125 |
f |
[ZN]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.2 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.048 |
36 |
65 |
|
[CL]C:305 |
1 |
1 |
125 |
f |
[ZN]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.4 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.035 |
37 |
66 |
|
C |
3 |
2 |
14773 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
15389 |
20.2 |
-0.6 |
0.319 |
0 |
0 |
0 |
0.003 |
67 |
|
C |
2 |
2 |
14773 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
14806 |
15.1 |
-0.5 |
0.337 |
0 |
0 |
0 |
0.003 |
68 |
|
D |
2 |
2 |
14672 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
15389 |
14.7 |
-0.5 |
0.344 |
0 |
0 |
0 |
0.003 |
69 |
|
E |
2 |
2 |
15320 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
14672 |
11.9 |
-0.4 |
0.388 |
0 |
0 |
0 |
0.003 |
70 |
|
E |
2 |
2 |
15320 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
14806 |
10.3 |
-0.3 |
0.419 |
0 |
0 |
0 |
0.003 |
Average: |
14.5 |
-0.5 |
0.361 |
0 |
0 |
0 |
0.003 |
38 |
71 |
|
[CL]D:306 |
1 |
1 |
125 |
f |
[CL]D:305 |
x,y,z |
1_555 |
1 |
1 |
125 |
19.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.018 |
39 |
72 |
|
[CL]C:304 |
1 |
1 |
125 |
f |
[ZN]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.7 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.036 |
40 |
73 |
|
[CL]C:305 |
1 |
1 |
125 |
f |
[CL]C:304 |
x,y,z |
1_555 |
1 |
1 |
125 |
17.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.013 |
41 |
74 |
|
[ZN]C:303 |
1 |
1 |
98 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
2 |
14806 |
6.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.008 |
42 |
75 |
|
D |
1 |
1 |
14672 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
14806 |
3.9 |
0.1 |
0.595 |
0 |
0 |
0 |
0.000 |
43 |
76 |
|
[CL]C:306 |
1 |
1 |
125 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
14806 |
0.5 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|