## |
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 |
253 |
67 |
14969 |
◊ |
A |
x,y,z |
1_555 |
255 |
67 |
15610 |
2588.9 |
-37.7 |
0.257 |
22 |
13 |
0 |
0.000 |
2 |
|
E |
269 |
64 |
15373 |
◊ |
A |
x,y,z |
1_555 |
264 |
68 |
15610 |
2585.0 |
-33.2 |
0.417 |
26 |
13 |
0 |
0.000 |
3 |
|
D |
262 |
67 |
14971 |
◊ |
B |
x,y,z |
1_555 |
258 |
65 |
14969 |
2571.7 |
-30.7 |
0.495 |
20 |
10 |
0 |
0.000 |
4 |
|
E |
251 |
66 |
15373 |
◊ |
C |
x,y,z |
1_555 |
255 |
66 |
15054 |
2552.5 |
-38.3 |
0.195 |
22 |
10 |
0 |
0.000 |
5 |
|
D |
253 |
65 |
14971 |
◊ |
C |
x,y,z |
1_555 |
248 |
67 |
15054 |
2539.2 |
-36.6 |
0.205 |
18 |
12 |
0 |
0.000 |
Average: |
2567.5 |
-35.3 |
0.314 |
22 |
12 |
0 |
0.000 |
2 |
6 |
|
B |
43 |
10 |
14969 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
64 |
20 |
15373 |
469.2 |
-0.5 |
0.889 |
8 |
4 |
0 |
0.000 |
3 |
7 |
|
B |
37 |
7 |
14969 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
45 |
12 |
15054 |
362.5 |
-2.5 |
0.709 |
2 |
0 |
0 |
0.000 |
4 |
8 |
|
A |
43 |
11 |
15610 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
31 |
8 |
15373 |
309.7 |
-2.3 |
0.734 |
6 |
0 |
0 |
0.000 |
5 |
9 |
|
E |
35 |
10 |
15373 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
34 |
9 |
14971 |
293.3 |
-2.2 |
0.661 |
2 |
3 |
0 |
0.000 |
6 |
10 |
|
A |
25 |
8 |
15610 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
26 |
9 |
14971 |
220.7 |
1.2 |
0.898 |
2 |
2 |
0 |
0.000 |
7 |
11 |
|
A |
14 |
4 |
15610 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
19 |
6 |
15054 |
121.7 |
-1.1 |
0.620 |
0 |
0 |
0 |
0.000 |
8 |
12 |
|
A |
13 |
5 |
15610 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
14 |
4 |
15054 |
105.5 |
0.4 |
0.768 |
0 |
1 |
0 |
0.000 |
9 |
13 |
|
C |
16 |
5 |
15054 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
12 |
5 |
14971 |
101.5 |
0.1 |
0.699 |
2 |
1 |
0 |
0.000 |
10 |
14 |
|
D |
8 |
2 |
14971 |
x |
D |
-x+1/2,-y,z-1/2 |
2_554 |
8 |
4 |
14971 |
70.2 |
0.3 |
0.511 |
0 |
0 |
0 |
0.000 |
11 |
15 |
|
[CL]E:302 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
15 |
5 |
15373 |
67.4 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.016 |
16 |
|
[CL]D:306 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
14971 |
66.8 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.016 |
17 |
|
[CL]B:304 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
14969 |
65.4 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.016 |
18 |
|
[CL]A:304 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
15610 |
63.3 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.016 |
19 |
|
[CL]D:305 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
15 |
4 |
14971 |
62.4 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.016 |
20 |
|
[CL]C:304 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
15054 |
58.2 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
63.9 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.016 |
12 |
21 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
14969 |
62.8 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.008 |
13 |
22 |
|
[CL]A:305 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
14969 |
49.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.007 |
23 |
|
[CL]C:303 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
15054 |
48.3 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.007 |
24 |
|
[CL]D:304 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
14971 |
47.9 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
48.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.007 |
14 |
25 |
|
[ZN]A:303 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
15610 |
47.8 |
-28.5 |
0.000 |
0 |
0 |
0 |
0.038 |
26 |
|
[ZN]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
15054 |
46.2 |
-24.6 |
0.000 |
0 |
0 |
0 |
0.038 |
27 |
|
[ZN]E:301 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
11 |
4 |
15373 |
44.8 |
-28.5 |
0.000 |
0 |
0 |
0 |
0.038 |
28 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
14969 |
39.0 |
-28.2 |
0.000 |
0 |
0 |
0 |
0.038 |
29 |
|
[ZN]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
14971 |
38.9 |
-22.6 |
0.000 |
0 |
0 |
0 |
0.038 |
Average: |
43.3 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.038 |
15 |
30 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
15610 |
44.3 |
-23.1 |
0.000 |
0 |
0 |
0 |
0.031 |
31 |
|
[ZN]C:306 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
15373 |
44.2 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.031 |
32 |
|
[ZN]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
15054 |
40.6 |
-17.0 |
0.000 |
0 |
0 |
0 |
0.031 |
33 |
|
[ZN]B:305 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
14971 |
38.2 |
-16.1 |
0.000 |
0 |
0 |
0 |
0.031 |
34 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
14969 |
36.0 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
40.7 |
-19.0 |
0.000 |
0 |
0 |
0 |
0.031 |
16 |
35 |
|
[ZN]C:305 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
15054 |
42.3 |
-21.5 |
0.000 |
0 |
0 |
0 |
0.019 |
36 |
|
E |
5 |
2 |
15373 |
f |
[ZN]D:302 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
98 |
31.5 |
-15.9 |
0.000 |
0 |
0 |
0 |
0.019 |
37 |
|
D |
6 |
2 |
14971 |
f |
[ZN]D:303 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
98 |
28.9 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.019 |
Average: |
34.2 |
-16.9 |
0.000 |
0 |
0 |
0 |
0.019 |
17 |
38 |
|
[CL]A:305 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
15610 |
41.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
|
[CL]D:304 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
14969 |
39.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
|
[CL]C:303 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
14971 |
38.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
39.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
18 |
41 |
|
[ZN]C:306 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
15054 |
36.5 |
-16.8 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
|
[ZN]A:301 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
15373 |
36.3 |
-16.6 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
|
[ZN]A:302 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
15610 |
31.7 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
|
[ZN]B:305 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
14969 |
31.2 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
|
[ZN]C:301 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
14971 |
30.9 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
33.3 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.000 |
19 |
46 |
|
[ZN]B:301 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
14969 |
35.7 |
-18.2 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
|
A |
6 |
1 |
15610 |
◊ |
[ZN]D:302 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
98 |
27.5 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
31.6 |
-15.0 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
48 |
|
C |
6 |
1 |
15054 |
◊ |
[ZN]D:303 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
98 |
29.8 |
-15.1 |
0.000 |
0 |
0 |
0 |
0.000 |
21 |
49 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
C |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
2 |
15054 |
28.9 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.011 |
22 |
50 |
|
[CL]B:303 |
1 |
1 |
125 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
6 |
3 |
15054 |
28.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
51 |
|
[ZN]D:302 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
14971 |
27.9 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
52 |
|
[ZN]D:303 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
14971 |
27.5 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
53 |
|
[CL]A:304 |
1 |
1 |
125 |
f |
[ZN]A:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.0 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.018 |
26 |
54 |
|
[CL]B:304 |
1 |
1 |
125 |
f |
[ZN]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.9 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.014 |
27 |
55 |
|
[CL]C:304 |
1 |
1 |
125 |
f |
[ZN]C:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.8 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.011 |
28 |
56 |
|
[CL]E:302 |
1 |
1 |
125 |
f |
[ZN]E:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.5 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.014 |
29 |
57 |
|
[CL]A:305 |
1 |
1 |
125 |
f |
[ZN]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.6 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.013 |
30 |
58 |
|
[CL]D:305 |
1 |
1 |
125 |
f |
[ZN]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.1 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.010 |
31 |
59 |
|
[CL]B:303 |
1 |
1 |
125 |
◊ |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.8 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
60 |
|
[CL]D:304 |
1 |
1 |
125 |
f |
[ZN]B:305 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.7 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.011 |
33 |
61 |
|
[CL]C:303 |
1 |
1 |
125 |
f |
[ZN]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.3 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.010 |
34 |
62 |
|
[CL]D:306 |
1 |
1 |
125 |
f |
[ZN]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.9 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.008 |
35 |
63 |
|
[CL]D:306 |
1 |
1 |
125 |
f |
[CL]D:305 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.003 |
36 |
64 |
|
C |
2 |
2 |
15054 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
15610 |
13.9 |
-0.4 |
0.348 |
0 |
0 |
0 |
0.000 |
65 |
|
D |
2 |
2 |
14971 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
15610 |
9.8 |
-0.3 |
0.409 |
0 |
0 |
0 |
0.000 |
66 |
|
C |
2 |
2 |
15054 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
14969 |
8.3 |
-0.3 |
0.443 |
0 |
0 |
0 |
0.000 |
67 |
|
E |
2 |
2 |
15373 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
14971 |
4.7 |
-0.2 |
0.529 |
0 |
0 |
0 |
0.000 |
68 |
|
E |
2 |
2 |
15373 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
14969 |
4.3 |
-0.1 |
0.549 |
0 |
0 |
0 |
0.000 |
Average: |
8.2 |
-0.3 |
0.456 |
0 |
0 |
0 |
0.000 |
37 |
69 |
|
B |
2 |
2 |
14969 |
◊ |
[ZN]C:302 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
98 |
10.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
70 |
|
B |
1 |
1 |
14969 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
14971 |
3.1 |
0.1 |
0.597 |
0 |
0 |
0 |
0.000 |
39 |
71 |
|
[ZN]C:305 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
15373 |
1.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
|