| ## |
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 |
|
C |
224 |
59 |
13369 |
◊ |
A |
x,y,z |
1_555 |
216 |
59 |
13733 |
2103.5 |
-29.3 |
0.171 |
18 |
8 |
0 |
1.000 |
2 |
|
E |
218 |
58 |
13207 |
◊ |
D |
x,y,z |
1_555 |
208 |
55 |
13210 |
2023.0 |
-26.4 |
0.221 |
18 |
8 |
0 |
1.000 |
| Average: |
2063.3 |
-27.8 |
0.196 |
18 |
8 |
0 |
1.000 |
| 2 |
3 |
|
C |
184 |
50 |
13369 |
◊ |
B |
x,y,z |
1_555 |
189 |
46 |
13889 |
1812.7 |
-24.1 |
0.180 |
11 |
6 |
0 |
0.740 |
| 3 |
4 |
|
E |
174 |
49 |
13207 |
◊ |
F |
x,y,z |
1_555 |
181 |
47 |
13069 |
1751.6 |
-24.4 |
0.114 |
12 |
7 |
0 |
1.000 |
| 4 |
5 |
|
B |
103 |
27 |
13889 |
◊ |
A |
x,y,z |
1_555 |
115 |
31 |
13733 |
1103.3 |
-19.8 |
0.061 |
13 |
3 |
0 |
0.797 |
| 5 |
6 |
|
F |
72 |
19 |
13069 |
◊ |
D |
x,y,z |
1_555 |
82 |
22 |
13210 |
793.9 |
-16.7 |
0.031 |
3 |
3 |
0 |
1.000 |
| 6 |
7 |
|
F |
75 |
18 |
13069 |
◊ |
B |
x,y,z |
1_555 |
71 |
19 |
13889 |
752.3 |
-14.2 |
0.076 |
1 |
0 |
0 |
0.392 |
| 7 |
8 |
|
A |
47 |
15 |
13733 |
◊ |
D |
x-1,y,z |
1_455 |
49 |
14 |
13210 |
401.8 |
-3.8 |
0.607 |
4 |
2 |
0 |
0.011 |
| 8 |
9 |
|
B |
38 |
12 |
13889 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
38 |
10 |
13069 |
345.5 |
-1.8 |
0.611 |
1 |
0 |
0 |
0.000 |
| 9 |
10 |
|
F |
34 |
15 |
13069 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
38 |
15 |
13733 |
325.8 |
-2.7 |
0.571 |
3 |
0 |
0 |
0.000 |
| 10 |
11 |
|
A |
33 |
9 |
13733 |
◊ |
E |
x-1,y,z |
1_455 |
35 |
15 |
13207 |
299.0 |
-3.5 |
0.498 |
3 |
1 |
0 |
0.000 |
| 11 |
12 |
|
B |
30 |
11 |
13889 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
34 |
9 |
13210 |
275.8 |
-0.7 |
0.750 |
6 |
0 |
0 |
0.000 |
| 12 |
13 |
|
A |
21 |
8 |
13733 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
34 |
13 |
13210 |
218.6 |
-0.8 |
0.768 |
4 |
0 |
0 |
0.000 |
| 13 |
14 |
|
C |
21 |
10 |
13369 |
◊ |
D |
x-1,y,z |
1_455 |
20 |
6 |
13210 |
208.5 |
-2.1 |
0.504 |
2 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[PGE]A:303 |
10 |
1 |
334 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
13733 |
143.9 |
3.5 |
0.221 |
2 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[EDO]E:301 |
4 |
1 |
182 |
f |
E |
x,y,z |
1_555 |
26 |
13 |
13207 |
126.5 |
3.6 |
0.723 |
1 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[EDO]E:304 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
23 |
10 |
13207 |
120.3 |
3.5 |
0.712 |
4 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[EDO]E:303 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
27 |
9 |
13207 |
119.3 |
2.3 |
0.462 |
1 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[EDO]C:302 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
22 |
9 |
13369 |
108.6 |
2.1 |
0.445 |
0 |
0 |
0 |
0.000 |
| 19 |
20 |
|
[PGE]A:303 |
7 |
1 |
334 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
13369 |
106.6 |
4.1 |
0.450 |
0 |
0 |
0 |
0.000 |
| 20 |
21 |
|
[EDO]A:307 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
13733 |
103.1 |
3.7 |
0.528 |
1 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[EDO]E:305 |
4 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
22 |
9 |
13207 |
95.6 |
3.3 |
0.751 |
2 |
0 |
0 |
0.000 |
| 22 |
23 |
|
[EDO]A:306 |
4 |
1 |
184 |
f |
D |
x-1/2,-y+1/2,-z |
4_455 |
20 |
8 |
13210 |
89.1 |
2.2 |
0.304 |
1 |
0 |
0 |
0.000 |
| 23 |
24 |
|
[EDO]F:303 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
10 |
4 |
13069 |
88.4 |
3.2 |
0.331 |
1 |
0 |
0 |
0.000 |
| 24 |
25 |
|
[EDO]C:303 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
13369 |
86.7 |
2.0 |
0.302 |
4 |
0 |
0 |
0.000 |
| 25 |
26 |
|
[EDO]A:308 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
13733 |
86.6 |
2.1 |
0.441 |
0 |
0 |
0 |
0.000 |
| 26 |
27 |
|
[EDO]D:303 |
4 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
15 |
5 |
13207 |
85.0 |
2.9 |
0.522 |
0 |
0 |
0 |
0.000 |
| 27 |
28 |
|
[EDO]D:302 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
13210 |
78.5 |
1.9 |
0.272 |
0 |
0 |
0 |
0.000 |
| 28 |
29 |
|
[EDO]A:302 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
15 |
3 |
13733 |
77.3 |
1.8 |
0.281 |
0 |
0 |
0 |
0.000 |
| 29 |
30 |
|
C |
8 |
4 |
13369 |
◊ |
F |
x,y,z |
1_555 |
13 |
5 |
13069 |
75.9 |
1.0 |
0.849 |
1 |
0 |
0 |
0.000 |
| 30 |
31 |
|
[EDO]F:304 |
4 |
1 |
183 |
◊ |
F |
x,y,z |
1_555 |
13 |
6 |
13069 |
75.9 |
2.7 |
0.295 |
0 |
0 |
0 |
0.000 |
| 31 |
32 |
|
[EDO]A:304 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
13733 |
75.8 |
1.9 |
0.288 |
0 |
0 |
0 |
0.000 |
| 32 |
33 |
|
A |
12 |
5 |
13733 |
◊ |
[EDO]D:301 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
184 |
73.4 |
1.8 |
0.281 |
1 |
0 |
0 |
0.000 |
| 33 |
34 |
|
[EDO]A:305 |
4 |
1 |
183 |
f |
D |
x-1,y,z |
1_455 |
10 |
5 |
13210 |
71.3 |
1.4 |
0.239 |
0 |
0 |
0 |
0.000 |
| 34 |
35 |
|
[EDO]A:305 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
13733 |
70.2 |
2.1 |
0.557 |
0 |
0 |
0 |
0.000 |
| 35 |
36 |
|
[EDO]A:302 |
4 |
1 |
186 |
f |
D |
x-1,y,z |
1_455 |
16 |
5 |
13210 |
70.1 |
1.1 |
0.766 |
0 |
0 |
0 |
0.000 |
| 36 |
37 |
|
E |
9 |
4 |
13207 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
13369 |
65.2 |
0.6 |
0.807 |
0 |
0 |
0 |
0.000 |
| 37 |
38 |
|
B |
9 |
4 |
13889 |
f |
[EDO]F:304 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
183 |
64.9 |
1.2 |
0.728 |
1 |
0 |
0 |
0.000 |
| 38 |
39 |
|
[EDO]D:301 |
3 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
13210 |
62.1 |
1.4 |
0.257 |
1 |
0 |
0 |
0.000 |
| 39 |
40 |
|
F |
10 |
4 |
13069 |
f |
[EDO]A:304 |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
1 |
183 |
58.9 |
1.5 |
0.887 |
1 |
0 |
0 |
0.000 |
| 40 |
41 |
|
[EDO]E:302 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
13207 |
56.2 |
1.6 |
0.902 |
1 |
0 |
0 |
0.000 |
| 41 |
42 |
|
[EDO]D:303 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
13210 |
54.9 |
1.2 |
0.858 |
1 |
0 |
0 |
0.000 |
| 42 |
43 |
|
[EDO]F:302 |
3 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
9 |
3 |
13207 |
54.8 |
1.8 |
0.915 |
0 |
0 |
0 |
0.000 |
| 43 |
44 |
|
[MG]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
13369 |
54.7 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.249 |
| 44 |
45 |
|
[MG]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
13889 |
53.7 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.274 |
| 45 |
46 |
|
[MG]F:301 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
7 |
4 |
13069 |
50.4 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.454 |
| 46 |
47 |
|
[EDO]A:306 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
13733 |
49.2 |
2.0 |
0.317 |
0 |
0 |
0 |
0.000 |
| 47 |
48 |
|
[MG]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
13733 |
46.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.743 |
| 48 |
49 |
|
[EDO]C:302 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
13889 |
45.9 |
1.9 |
0.318 |
0 |
0 |
0 |
0.000 |
| 49 |
50 |
|
[EDO]F:302 |
3 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
4 |
2 |
13069 |
41.6 |
1.1 |
0.908 |
1 |
0 |
0 |
0.000 |
| 50 |
51 |
|
B |
2 |
1 |
13889 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
6 |
3 |
13210 |
41.3 |
-1.0 |
0.243 |
0 |
0 |
0 |
0.000 |
| 51 |
52 |
|
[EDO]E:302 |
3 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
7 |
3 |
13069 |
40.7 |
0.6 |
0.781 |
0 |
0 |
0 |
0.000 |
| 52 |
53 |
|
B |
6 |
3 |
13889 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
13210 |
37.7 |
-1.4 |
0.230 |
0 |
0 |
0 |
0.039 |
| 53 |
54 |
|
[EDO]E:303 |
2 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
4 |
2 |
13069 |
35.7 |
1.3 |
0.927 |
0 |
0 |
0 |
0.000 |
| 54 |
55 |
|
C |
7 |
2 |
13369 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
5 |
3 |
13210 |
31.0 |
-0.2 |
0.599 |
0 |
0 |
0 |
0.000 |
| 55 |
56 |
|
E |
3 |
2 |
13207 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
13889 |
28.1 |
0.6 |
0.834 |
0 |
0 |
0 |
0.000 |
| 56 |
57 |
|
[EDO]C:303 |
2 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13733 |
24.9 |
1.6 |
0.988 |
0 |
0 |
0 |
0.000 |
| 57 |
58 |
|
C |
4 |
2 |
13369 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
13210 |
24.8 |
0.5 |
0.822 |
0 |
0 |
0 |
0.000 |
| 58 |
59 |
|
B |
5 |
3 |
13889 |
f |
[EDO]F:303 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
184 |
24.5 |
0.4 |
0.845 |
0 |
0 |
0 |
0.000 |
| 59 |
60 |
|
F |
5 |
3 |
13069 |
◊ |
[MG]A:301 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
98 |
21.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 60 |
61 |
|
[EDO]E:302 |
2 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13889 |
19.7 |
1.2 |
0.993 |
0 |
0 |
0 |
0.000 |
| 61 |
62 |
|
[EDO]E:305 |
2 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
3 |
1 |
13210 |
16.9 |
-0.1 |
0.602 |
0 |
0 |
0 |
0.005 |
| 62 |
63 |
|
[EDO]E:305 |
2 |
1 |
183 |
f |
[EDO]D:303 |
x,y,z |
1_555 |
2 |
1 |
183 |
15.9 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
| 63 |
64 |
|
[EDO]A:307 |
3 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
13369 |
14.9 |
1.0 |
0.986 |
0 |
0 |
0 |
0.000 |
| 64 |
65 |
|
[EDO]D:302 |
2 |
1 |
182 |
f |
[EDO]D:301 |
x,y,z |
1_555 |
2 |
1 |
184 |
14.8 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
| 65 |
66 |
|
E |
1 |
1 |
13207 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
13733 |
13.4 |
0.2 |
0.790 |
0 |
0 |
0 |
0.000 |
| 66 |
67 |
|
A |
3 |
2 |
13733 |
◊ |
[EDO]D:302 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
182 |
6.8 |
0.1 |
0.737 |
0 |
0 |
0 |
0.000 |
| 67 |
68 |
|
C |
2 |
1 |
13369 |
f |
[EDO]D:302 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
182 |
4.8 |
0.1 |
0.813 |
0 |
0 |
0 |
0.000 |
| 68 |
69 |
|
[EDO]E:305 |
1 |
1 |
183 |
f |
[EDO]E:304 |
x,y,z |
1_555 |
1 |
1 |
184 |
4.5 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
|