| ## |
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 |
176 |
54 |
11063 |
◊ |
A |
x,y,z |
1_555 |
171 |
48 |
11183 |
1611.4 |
-20.8 |
0.065 |
11 |
2 |
0 |
0.067 |
2 |
|
D |
164 |
50 |
11176 |
◊ |
C |
x,y,z |
1_555 |
168 |
47 |
11125 |
1481.7 |
-21.0 |
0.035 |
6 |
1 |
0 |
0.067 |
| Average: |
1546.6 |
-20.9 |
0.050 |
9 |
2 |
0 |
0.067 |
| 2 |
3 |
|
F |
37 |
8 |
1238 |
◊ |
D |
x,y,z |
1_555 |
53 |
14 |
11176 |
397.8 |
-1.6 |
0.571 |
7 |
2 |
0 |
0.018 |
4 |
|
E |
35 |
8 |
1235 |
◊ |
B |
x,y,z |
1_555 |
53 |
13 |
11063 |
392.3 |
-2.2 |
0.549 |
7 |
1 |
0 |
0.018 |
| Average: |
395.0 |
-1.9 |
0.560 |
7 |
2 |
0 |
0.018 |
| 3 |
5 |
|
C |
38 |
13 |
11125 |
◊ |
D |
x-1,y,z |
1_455 |
39 |
10 |
11176 |
381.1 |
0.6 |
0.598 |
12 |
0 |
0 |
0.016 |
| 4 |
6 |
|
F |
31 |
6 |
1238 |
◊ |
C |
x,y,z |
1_555 |
59 |
14 |
11125 |
371.6 |
-4.2 |
0.465 |
8 |
0 |
0 |
0.021 |
7 |
|
E |
33 |
6 |
1235 |
◊ |
A |
x,y,z |
1_555 |
58 |
14 |
11183 |
366.8 |
-3.7 |
0.520 |
8 |
0 |
0 |
0.021 |
| Average: |
369.2 |
-3.9 |
0.492 |
8 |
0 |
0 |
0.021 |
| 5 |
8 |
|
D |
37 |
14 |
11176 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
46 |
15 |
11063 |
350.3 |
0.2 |
0.608 |
6 |
0 |
0 |
0.000 |
9 |
|
D |
46 |
16 |
11176 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
40 |
13 |
11063 |
345.2 |
-0.1 |
0.570 |
5 |
0 |
0 |
0.000 |
| Average: |
347.7 |
0.0 |
0.589 |
6 |
0 |
0 |
0.000 |
| 6 |
10 |
|
C |
33 |
11 |
11125 |
x |
C |
x-1,y,z |
1_455 |
33 |
11 |
11125 |
311.2 |
-0.6 |
0.665 |
4 |
0 |
0 |
0.000 |
| 7 |
11 |
|
C |
22 |
8 |
11125 |
◊ |
A |
x,y,z-1 |
1_554 |
23 |
9 |
11183 |
259.1 |
-1.3 |
0.546 |
5 |
0 |
0 |
0.004 |
| 8 |
12 |
|
D |
27 |
8 |
11176 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
18 |
6 |
11063 |
237.2 |
3.0 |
0.767 |
2 |
1 |
0 |
0.000 |
| 9 |
13 |
|
A |
25 |
11 |
11183 |
x |
A |
x-1,y,z |
1_455 |
25 |
7 |
11183 |
211.4 |
-0.7 |
0.654 |
1 |
0 |
0 |
0.000 |
| 10 |
14 |
|
A |
15 |
4 |
11183 |
◊ |
B |
x-1,y,z-1 |
1_454 |
19 |
4 |
11063 |
124.8 |
0.6 |
0.712 |
1 |
3 |
0 |
0.000 |
| 11 |
15 |
|
A |
14 |
6 |
11183 |
◊ |
B |
x-1,y,z |
1_455 |
11 |
6 |
11063 |
113.5 |
-0.8 |
0.488 |
1 |
0 |
0 |
0.000 |
| 12 |
16 |
|
D |
11 |
6 |
11176 |
◊ |
B |
-x+2,y-1/2,-z+2 |
2_747 |
10 |
3 |
11063 |
76.0 |
-0.4 |
0.507 |
0 |
0 |
0 |
0.000 |
| 13 |
17 |
|
C |
8 |
2 |
11125 |
◊ |
B |
x,y,z-1 |
1_554 |
6 |
2 |
11063 |
64.8 |
1.2 |
0.835 |
3 |
0 |
0 |
0.000 |
18 |
|
D |
4 |
1 |
11176 |
◊ |
A |
x,y,z-1 |
1_554 |
6 |
3 |
11183 |
53.5 |
0.9 |
0.640 |
1 |
0 |
0 |
0.000 |
| Average: |
59.2 |
1.0 |
0.737 |
2 |
0 |
0 |
0.000 |
| 14 |
19 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
11063 |
63.9 |
-35.9 |
0.000 |
0 |
0 |
0 |
0.121 |
20 |
|
[ZN]D:304 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
8 |
11176 |
51.6 |
-28.9 |
0.000 |
0 |
0 |
0 |
0.121 |
| Average: |
57.7 |
-32.4 |
0.000 |
0 |
0 |
0 |
0.121 |
| 15 |
21 |
|
D |
4 |
1 |
11176 |
x |
D |
x-1,y,z |
1_455 |
8 |
2 |
11176 |
61.8 |
1.6 |
0.862 |
1 |
0 |
0 |
0.000 |
| 16 |
22 |
|
[ZN]D:303 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
11176 |
49.9 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.092 |
23 |
|
[ZN]B:307 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
11063 |
41.0 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.092 |
| Average: |
45.5 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.092 |
| 17 |
24 |
|
[ZN]D:308 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
11176 |
48.9 |
-25.6 |
0.000 |
0 |
0 |
0 |
0.085 |
25 |
|
[ZN]B:306 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
11063 |
40.5 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.085 |
| Average: |
44.7 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.085 |
| 18 |
26 |
|
[ZN]D:310 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
11176 |
48.1 |
-26.4 |
0.000 |
0 |
0 |
0 |
0.087 |
| 19 |
27 |
|
[ZN]A:303 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
11183 |
48.0 |
-25.5 |
0.000 |
0 |
0 |
0 |
0.060 |
| 20 |
28 |
|
[ZN]D:306 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
11176 |
47.2 |
-25.5 |
0.000 |
0 |
0 |
0 |
0.089 |
29 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
11063 |
46.4 |
-24.9 |
0.000 |
0 |
0 |
0 |
0.089 |
| Average: |
46.8 |
-25.2 |
0.000 |
0 |
0 |
0 |
0.089 |
| 21 |
30 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
11063 |
46.4 |
-23.4 |
0.000 |
0 |
0 |
0 |
0.096 |
31 |
|
[ZN]C:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
11176 |
34.3 |
-15.2 |
0.000 |
0 |
0 |
0 |
0.096 |
32 |
|
[ZN]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
11176 |
33.9 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.096 |
| Average: |
38.2 |
-17.5 |
0.000 |
0 |
0 |
0 |
0.096 |
| 22 |
33 |
|
[ZN]D:307 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
11176 |
46.4 |
-28.3 |
0.000 |
0 |
0 |
0 |
0.094 |
34 |
|
[ZN]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
11063 |
45.4 |
-24.9 |
0.000 |
0 |
0 |
0 |
0.094 |
| Average: |
45.9 |
-26.6 |
0.000 |
0 |
0 |
0 |
0.094 |
| 23 |
35 |
|
[ZN]A:305 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
11183 |
45.8 |
-24.2 |
0.000 |
0 |
0 |
0 |
0.057 |
| 24 |
36 |
|
[ZN]D:305 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
11176 |
42.6 |
-22.0 |
0.000 |
0 |
0 |
0 |
0.073 |
| 25 |
37 |
|
[ZN]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
11125 |
41.1 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.066 |
| 26 |
38 |
|
[ZN]A:304 |
1 |
1 |
98 |
f |
B |
x-1,y,z-1 |
1_454 |
8 |
4 |
11063 |
40.3 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.070 |
| 27 |
39 |
|
[ZN]D:309 |
1 |
1 |
98 |
cf |
B |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
3 |
11063 |
39.2 |
-21.3 |
0.000 |
0 |
0 |
0 |
0.072 |
| 28 |
40 |
|
[ZN]A:307 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
11063 |
39.0 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.068 |
| 29 |
41 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
11183 |
38.2 |
-19.0 |
0.000 |
0 |
0 |
0 |
0.045 |
| 30 |
42 |
|
[ZN]A:306 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
11063 |
37.9 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.063 |
| 31 |
43 |
|
C |
5 |
2 |
11125 |
◊ |
[ZN]C:302 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
37.6 |
-18.6 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
|
[ZN]A:304 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
11183 |
36.6 |
-18.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
37.1 |
-18.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 32 |
45 |
|
[ZN]D:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
11125 |
36.4 |
-17.8 |
0.000 |
0 |
0 |
0 |
0.059 |
| 33 |
46 |
|
[ZN]A:307 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
11183 |
36.0 |
-17.0 |
0.000 |
0 |
0 |
0 |
0.040 |
| 34 |
47 |
|
[ZN]D:309 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
11176 |
35.9 |
-17.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 35 |
48 |
|
[ZN]A:301 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11183 |
34.3 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.054 |
49 |
|
[ZN]C:301 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
11125 |
22.7 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.054 |
50 |
|
[ZN]D:301 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
11125 |
21.3 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.054 |
51 |
|
[ZN]D:305 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
11125 |
1.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.054 |
| Average: |
19.9 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.054 |
| 36 |
52 |
|
[ZN]B:304 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
8 |
3 |
11063 |
34.3 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.096 |
53 |
|
[ZN]B:305 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
11063 |
33.8 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.096 |
| Average: |
34.0 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.096 |
| 37 |
54 |
|
F |
2 |
1 |
1238 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
6 |
3 |
11063 |
33.8 |
0.5 |
0.734 |
1 |
0 |
0 |
0.000 |
55 |
|
D |
6 |
3 |
11176 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
1235 |
29.3 |
0.5 |
0.729 |
0 |
0 |
0 |
0.000 |
| Average: |
31.6 |
0.5 |
0.731 |
1 |
0 |
0 |
0.000 |
| 38 |
56 |
|
D |
6 |
3 |
11176 |
◊ |
[ZN]B:304 |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
98 |
32.3 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.052 |
57 |
|
D |
5 |
2 |
11176 |
◊ |
[ZN]B:305 |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
98 |
32.1 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.052 |
| Average: |
32.2 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.052 |
| 39 |
58 |
|
[ZN]A:306 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11183 |
31.9 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.032 |
| 40 |
59 |
|
[ZN]D:302 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
11176 |
31.0 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.036 |
| 41 |
60 |
|
A |
3 |
1 |
11183 |
◊ |
[ZN]B:307 |
x-1,y,z-1 |
1_454 |
1 |
1 |
98 |
30.1 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 42 |
61 |
|
C |
6 |
4 |
11125 |
◊ |
[ZN]D:303 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
29.1 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.041 |
| 43 |
62 |
|
D |
6 |
2 |
11176 |
◊ |
[ZN]A:302 |
x,y,z-1 |
1_554 |
1 |
1 |
98 |
27.0 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.014 |
| 44 |
63 |
|
[ZN]B:305 |
1 |
1 |
98 |
f |
[ZN]B:304 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.1 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.065 |
| 45 |
64 |
|
A |
5 |
2 |
11183 |
◊ |
[ZN]A:303 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
22.1 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 46 |
65 |
|
[ZN]D:310 |
1 |
1 |
98 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
5 |
1 |
11063 |
20.0 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.016 |
| 47 |
66 |
|
[ZN]B:302 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
1235 |
19.5 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.026 |
67 |
|
[ZN]D:306 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
1238 |
17.5 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.026 |
| Average: |
18.5 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.026 |
| 48 |
68 |
|
[ZN]D:301 |
1 |
1 |
98 |
f |
[ZN]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.7 |
-15.0 |
0.000 |
0 |
0 |
0 |
0.050 |
| 49 |
69 |
|
[ZN]D:305 |
1 |
1 |
98 |
f |
[ZN]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.4 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.049 |
| 50 |
70 |
|
[ZN]D:302 |
1 |
1 |
98 |
◊ |
[ZN]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.6 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.033 |
| 51 |
71 |
|
C |
1 |
1 |
11125 |
x |
C |
x,y,z-1 |
1_554 |
3 |
1 |
11125 |
10.7 |
0.3 |
0.787 |
0 |
0 |
0 |
0.000 |
| 52 |
72 |
|
[ZN]D:305 |
1 |
1 |
98 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
11176 |
9.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 53 |
73 |
|
[ZN]D:305 |
1 |
1 |
98 |
f |
[ZN]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.020 |
| 54 |
74 |
|
E |
2 |
1 |
1235 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
11183 |
5.1 |
0.2 |
0.729 |
0 |
0 |
0 |
0.000 |
| 55 |
75 |
|
[ZN]D:302 |
1 |
1 |
98 |
◊ |
[ZN]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.009 |
| 56 |
76 |
|
D |
1 |
1 |
11176 |
◊ |
[ZN]B:302 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
98 |
4.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
77 |
|
[ZN]D:306 |
1 |
1 |
98 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
1 |
1 |
11063 |
1.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
2.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 57 |
78 |
|
D |
1 |
1 |
11176 |
◊ |
[ZN]B:306 |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
98 |
2.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|