## |
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 |
255 |
67 |
14699 |
◊ |
A |
x,y,z |
1_555 |
256 |
71 |
14863 |
2589.6 |
-41.5 |
0.181 |
24 |
10 |
0 |
0.357 |
2 |
|
E |
260 |
69 |
15347 |
◊ |
C |
x,y,z |
1_555 |
252 |
67 |
14745 |
2550.7 |
-39.6 |
0.225 |
17 |
8 |
0 |
0.357 |
3 |
|
E |
253 |
63 |
15347 |
◊ |
A |
x,y,z |
1_555 |
261 |
67 |
14863 |
2535.9 |
-38.4 |
0.307 |
17 |
11 |
0 |
0.357 |
4 |
|
D |
236 |
66 |
14478 |
◊ |
C |
x,y,z |
1_555 |
248 |
66 |
14745 |
2484.5 |
-35.6 |
0.279 |
22 |
11 |
0 |
0.357 |
5 |
|
D |
244 |
66 |
14478 |
◊ |
B |
x,y,z |
1_555 |
237 |
64 |
14699 |
2365.2 |
-38.1 |
0.239 |
17 |
12 |
0 |
0.357 |
Average: |
2505.2 |
-38.7 |
0.246 |
19 |
10 |
0 |
0.357 |
2 |
6 |
|
A |
58 |
17 |
14863 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
46 |
12 |
15347 |
486.7 |
-4.7 |
0.684 |
11 |
0 |
0 |
0.057 |
3 |
7 |
|
C |
46 |
13 |
14745 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
44 |
8 |
14699 |
408.3 |
-2.0 |
0.784 |
6 |
5 |
0 |
0.031 |
4 |
8 |
|
B |
44 |
10 |
14699 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
60 |
17 |
15347 |
402.7 |
-1.7 |
0.849 |
5 |
3 |
0 |
0.000 |
5 |
9 |
|
D |
29 |
6 |
14478 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
31 |
11 |
15347 |
260.9 |
-1.7 |
0.723 |
1 |
1 |
0 |
0.000 |
6 |
10 |
|
D |
25 |
9 |
14478 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
27 |
9 |
14863 |
217.4 |
0.5 |
0.896 |
2 |
2 |
0 |
0.000 |
7 |
11 |
|
A |
33 |
10 |
14863 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
26 |
9 |
14745 |
193.2 |
-2.2 |
0.553 |
0 |
0 |
0 |
0.000 |
8 |
12 |
|
C |
21 |
6 |
14745 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
15 |
5 |
14863 |
149.6 |
-0.6 |
0.645 |
2 |
2 |
0 |
0.000 |
9 |
13 |
|
[EDO]A:304 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
14863 |
93.5 |
1.6 |
0.451 |
0 |
0 |
0 |
0.000 |
10 |
14 |
|
D |
11 |
6 |
14478 |
x |
D |
-x+1/2,-y,z-1/2 |
2_554 |
10 |
4 |
14478 |
92.5 |
0.9 |
0.887 |
0 |
1 |
0 |
0.000 |
11 |
15 |
|
D |
12 |
5 |
14478 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
14 |
5 |
14745 |
80.9 |
1.1 |
0.842 |
0 |
0 |
0 |
0.000 |
12 |
16 |
|
[EDO]A:304 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
13 |
5 |
15347 |
72.7 |
0.7 |
0.693 |
1 |
0 |
0 |
0.000 |
13 |
17 |
|
[CL]A:309 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
14863 |
69.4 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.053 |
14 |
18 |
|
[CL]A:307 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
14863 |
62.7 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.108 |
19 |
|
[CL]E:305 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
17 |
6 |
15347 |
61.5 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.108 |
20 |
|
[CL]A:308 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
14863 |
59.2 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.108 |
Average: |
61.1 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.108 |
15 |
21 |
|
[CL]E:304 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
12 |
4 |
15347 |
53.6 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.071 |
16 |
22 |
|
[ZN]D:301 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
14478 |
49.9 |
-38.2 |
0.000 |
0 |
0 |
0 |
0.525 |
23 |
|
[ZN]C:303 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
14745 |
41.5 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.525 |
24 |
|
[ZN]E:301 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
13 |
5 |
15347 |
37.4 |
-22.1 |
0.000 |
0 |
0 |
0 |
0.525 |
25 |
|
[ZN]A:302 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
14863 |
36.6 |
-21.7 |
0.000 |
0 |
0 |
0 |
0.525 |
Average: |
41.4 |
-27.3 |
0.000 |
0 |
0 |
0 |
0.525 |
17 |
26 |
|
[CL]D:304 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
14478 |
47.3 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.086 |
27 |
|
[CL]C:305 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
14745 |
47.3 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.086 |
28 |
|
[CL]E:303 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
15347 |
46.4 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.086 |
29 |
|
[CL]A:305 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
14863 |
45.7 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.086 |
30 |
|
[CL]B:306 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
14699 |
43.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.086 |
31 |
|
[CL]A:306 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
14699 |
33.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.086 |
Average: |
43.9 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.086 |
18 |
32 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
14699 |
43.4 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.151 |
19 |
33 |
|
[CL]C:305 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
14478 |
41.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.038 |
34 |
|
[CL]A:305 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
15347 |
40.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.038 |
35 |
|
[CL]D:304 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
14699 |
39.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.038 |
36 |
|
[CL]A:306 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
14863 |
37.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.038 |
37 |
|
[CL]E:303 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
14745 |
36.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.038 |
38 |
|
[CL]B:306 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
14863 |
36.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.038 |
Average: |
38.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.038 |
20 |
39 |
|
[ZN]E:302 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
8 |
3 |
15347 |
37.9 |
-20.9 |
0.000 |
0 |
0 |
0 |
0.175 |
21 |
40 |
|
[ZN]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
14745 |
37.5 |
-17.2 |
0.000 |
0 |
0 |
0 |
0.222 |
41 |
|
[ZN]B:303 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
14478 |
36.9 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.222 |
42 |
|
[ZN]C:302 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
15347 |
35.6 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.222 |
43 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
14863 |
35.6 |
-16.9 |
0.000 |
0 |
0 |
0 |
0.222 |
44 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
14699 |
32.2 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.222 |
Average: |
35.6 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.222 |
22 |
45 |
|
[ZN]A:303 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
14863 |
37.0 |
-22.4 |
0.000 |
0 |
0 |
0 |
0.147 |
23 |
46 |
|
[ZN]D:303 |
1 |
1 |
98 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
6 |
3 |
14478 |
35.4 |
-17.1 |
0.000 |
0 |
0 |
0 |
0.045 |
47 |
|
[ZN]D:302 |
1 |
1 |
98 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
5 |
2 |
15347 |
29.3 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.045 |
Average: |
32.3 |
-15.3 |
0.000 |
0 |
0 |
0 |
0.045 |
24 |
48 |
|
[ZN]B:303 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
14699 |
31.7 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.090 |
49 |
|
[ZN]A:301 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
15347 |
31.4 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.090 |
50 |
|
[ZN]C:301 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
14478 |
31.3 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.090 |
51 |
|
[ZN]C:302 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
14745 |
30.5 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.090 |
52 |
|
[ZN]B:301 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
14863 |
27.0 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.090 |
Average: |
30.4 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.090 |
25 |
53 |
|
[ZN]C:303 |
1 |
1 |
98 |
cf |
B |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
14699 |
30.1 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.068 |
26 |
54 |
|
[ZN]D:302 |
1 |
1 |
98 |
cf |
A |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
1 |
14863 |
29.9 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.083 |
55 |
|
[ZN]D:303 |
1 |
1 |
98 |
f |
C |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
14745 |
27.5 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.083 |
Average: |
28.7 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.083 |
27 |
56 |
|
[ZN]E:302 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
14745 |
29.5 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.018 |
28 |
57 |
|
C |
4 |
2 |
14745 |
◊ |
[ZN]B:302 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
98 |
28.7 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.074 |
29 |
58 |
|
[ZN]D:302 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
14478 |
27.9 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.008 |
30 |
59 |
|
[ZN]A:303 |
1 |
1 |
98 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
15347 |
26.9 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.052 |
31 |
60 |
|
[ZN]D:303 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
14478 |
25.6 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
61 |
|
[CL]A:307 |
1 |
1 |
125 |
f |
[ZN]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.9 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.075 |
33 |
62 |
|
[CL]D:304 |
1 |
1 |
125 |
f |
[ZN]B:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.6 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.166 |
34 |
63 |
|
[CL]E:303 |
1 |
1 |
125 |
f |
[ZN]C:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.4 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.100 |
35 |
64 |
|
[CL]A:305 |
1 |
1 |
125 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.1 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.077 |
36 |
65 |
|
[CL]A:306 |
1 |
1 |
125 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.9 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.056 |
37 |
66 |
|
[CL]E:304 |
1 |
1 |
125 |
f |
[ZN]E:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.8 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.092 |
38 |
67 |
|
[CL]C:305 |
1 |
1 |
125 |
f |
[ZN]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.8 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.066 |
39 |
68 |
|
[CL]E:305 |
1 |
1 |
125 |
f |
[ZN]E:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.6 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.089 |
40 |
69 |
|
[CL]A:308 |
1 |
1 |
125 |
f |
[ZN]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.3 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.070 |
41 |
70 |
|
[CL]A:309 |
1 |
1 |
125 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
15347 |
21.2 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.011 |
42 |
71 |
|
[CL]A:309 |
1 |
1 |
125 |
f |
[ZN]A:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.1 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.065 |
43 |
72 |
|
C |
3 |
2 |
14745 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
14863 |
21.0 |
-0.7 |
0.297 |
0 |
0 |
0 |
0.004 |
73 |
|
D |
2 |
2 |
14478 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
14863 |
20.5 |
-0.7 |
0.268 |
0 |
0 |
0 |
0.004 |
74 |
|
C |
2 |
2 |
14745 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
14699 |
17.0 |
-0.5 |
0.301 |
0 |
0 |
0 |
0.004 |
75 |
|
E |
2 |
2 |
15347 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
14478 |
16.8 |
-0.5 |
0.321 |
0 |
0 |
0 |
0.004 |
76 |
|
E |
2 |
2 |
15347 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
14699 |
14.2 |
-0.5 |
0.352 |
0 |
0 |
0 |
0.004 |
Average: |
17.9 |
-0.6 |
0.308 |
0 |
0 |
0 |
0.004 |
44 |
77 |
|
[CL]A:308 |
1 |
1 |
125 |
f |
[CL]A:307 |
x,y,z |
1_555 |
1 |
1 |
125 |
20.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.026 |
45 |
78 |
|
[CL]B:306 |
1 |
1 |
125 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.3 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.057 |
46 |
79 |
|
[CL]B:306 |
1 |
1 |
125 |
f |
[CL]A:306 |
x,y,z |
1_555 |
1 |
1 |
125 |
17.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.020 |
47 |
80 |
|
[CL]E:305 |
1 |
1 |
125 |
f |
[CL]E:304 |
x,y,z |
1_555 |
1 |
1 |
125 |
17.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.029 |
48 |
81 |
|
A |
6 |
3 |
14863 |
◊ |
[ZN]E:302 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
98 |
15.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.034 |
49 |
82 |
|
D |
1 |
1 |
14478 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
14699 |
4.5 |
0.1 |
0.571 |
0 |
0 |
0 |
0.000 |
|