| ## |
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 |
56 |
17 |
6710 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
44 |
16 |
6777 |
497.9 |
-8.4 |
0.101 |
4 |
0 |
0 |
0.000 |
| 2 |
2 |
|
B |
36 |
11 |
6710 |
◊ |
B |
-x-1,y,-z-1 |
2_454 |
36 |
11 |
6710 |
330.9 |
-3.7 |
0.318 |
0 |
0 |
0 |
0.000 |
| 3 |
3 |
|
B |
24 |
8 |
6710 |
◊ |
A |
x-1,y,z |
1_455 |
24 |
6 |
6777 |
249.6 |
1.7 |
0.813 |
4 |
4 |
0 |
0.000 |
| 4 |
4 |
|
B |
29 |
12 |
6710 |
◊ |
A |
-x,y,-z |
2_555 |
25 |
9 |
6777 |
232.8 |
-0.2 |
0.646 |
0 |
0 |
0 |
0.000 |
| 5 |
5 |
|
[KKG]A:302 |
15 |
1 |
352 |
◊ |
A |
x,y,z |
1_555 |
34 |
11 |
6777 |
218.5 |
4.0 |
0.258 |
4 |
0 |
0 |
0.000 |
6 |
|
[KKG]B:302 |
15 |
1 |
353 |
◊ |
B |
x,y,z |
1_555 |
37 |
11 |
6710 |
215.0 |
4.1 |
0.257 |
5 |
0 |
0 |
0.000 |
| Average: |
216.7 |
4.0 |
0.257 |
5 |
0 |
0 |
0.000 |
| 6 |
7 |
|
B |
21 |
7 |
6710 |
◊ |
A |
-x,y,-z-1 |
2_554 |
24 |
5 |
6777 |
193.9 |
-3.1 |
0.280 |
3 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[EDO]B:304 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
6710 |
102.1 |
3.2 |
0.458 |
1 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[EDO]B:303 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
18 |
9 |
6710 |
97.7 |
2.8 |
0.486 |
3 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[EDO]A:303 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
6777 |
94.8 |
3.0 |
0.472 |
0 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[UNX]A:313 |
1 |
1 |
129 |
x |
A |
x,y,z |
1_555 |
16 |
7 |
6777 |
83.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
12 |
|
[UNX]B:307 |
1 |
1 |
129 |
x |
B |
x,y,z |
1_555 |
6 |
4 |
6710 |
38.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
61.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 11 |
13 |
|
B |
8 |
5 |
6710 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
6777 |
82.4 |
-4.8 |
0.008 |
1 |
0 |
1 |
0.000 |
| 12 |
14 |
|
[UNX]A:309 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
6777 |
81.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.009 |
| 13 |
15 |
|
[UNX]B:308 |
1 |
1 |
129 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
6710 |
77.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.034 |
16 |
|
[UNX]A:305 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
6777 |
50.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.034 |
| Average: |
63.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.034 |
| 14 |
17 |
|
[UNX]B:310 |
1 |
1 |
129 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
6710 |
77.0 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.032 |
| 15 |
18 |
|
[UNX]A:314 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
6777 |
76.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.008 |
| 16 |
19 |
|
[UNX]A:304 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
6777 |
74.8 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.011 |
| 17 |
20 |
|
[UNX]A:308 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
6777 |
74.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.010 |
| 18 |
21 |
|
[UNX]B:309 |
1 |
1 |
129 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
6710 |
73.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.032 |
| 19 |
22 |
|
[UNX]A:306 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
6777 |
60.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.007 |
| 20 |
23 |
|
[UNX]A:310 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
6777 |
55.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.006 |
| 21 |
24 |
|
[UNX]A:307 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
6777 |
50.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.006 |
| 22 |
25 |
|
[UNX]B:305 |
1 |
1 |
129 |
x |
B |
x,y,z |
1_555 |
9 |
2 |
6710 |
47.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
|
[UNX]B:306 |
1 |
1 |
129 |
x |
B |
x,y,z |
1_555 |
7 |
3 |
6710 |
46.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
46.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 23 |
27 |
|
[UNX]B:307 |
1 |
1 |
129 |
f |
[UNX]B:307 |
-x-1,y,-z-1 |
2_454 |
1 |
1 |
129 |
42.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.022 |
| 24 |
28 |
|
B |
6 |
3 |
6710 |
◊ |
[UNX]A:314 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
129 |
40.2 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 25 |
29 |
|
[EDO]B:303 |
2 |
1 |
185 |
f |
A |
-x,y,-z |
2_555 |
6 |
3 |
6777 |
38.7 |
0.4 |
0.622 |
0 |
0 |
0 |
0.000 |
| 26 |
30 |
|
[UNX]A:312 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
6777 |
35.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.004 |
| 27 |
31 |
|
B |
6 |
3 |
6710 |
◊ |
[UNX]A:306 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
129 |
35.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 28 |
32 |
|
[UNX]A:312 |
1 |
1 |
129 |
f |
[UNX]A:311 |
x,y,z |
1_555 |
1 |
1 |
129 |
34.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.006 |
| 29 |
33 |
|
[UNX]A:311 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
6777 |
33.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.003 |
| 30 |
34 |
|
[UNX]B:306 |
1 |
1 |
129 |
fx |
[UNX]B:305 |
x,y,z |
1_555 |
1 |
1 |
129 |
28.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.029 |
| 31 |
35 |
|
[UNX]A:310 |
1 |
1 |
129 |
f |
[UNX]A:307 |
x,y,z |
1_555 |
1 |
1 |
129 |
26.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.005 |
| 32 |
36 |
|
[UNX]A:310 |
1 |
1 |
129 |
f |
[UNX]A:305 |
x,y,z |
1_555 |
1 |
1 |
129 |
25.2 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.004 |
| 33 |
37 |
|
[KKG]B:302 |
2 |
1 |
353 |
◊ |
B |
-x-1,y,-z-1 |
2_454 |
1 |
1 |
6710 |
23.9 |
1.1 |
0.652 |
0 |
0 |
0 |
0.000 |
| 34 |
38 |
|
B |
1 |
1 |
6710 |
◊ |
[KKG]A:302 |
x-1,y,z |
1_455 |
3 |
1 |
352 |
23.7 |
1.3 |
0.460 |
0 |
0 |
0 |
0.000 |
| 35 |
39 |
|
[UNX]A:307 |
1 |
1 |
129 |
f |
[UNX]A:305 |
x,y,z |
1_555 |
1 |
1 |
129 |
23.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.004 |
| 36 |
40 |
|
[UNX]A:309 |
1 |
1 |
129 |
f |
[UNX]A:308 |
x,y,z |
1_555 |
1 |
1 |
129 |
19.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.003 |
| 37 |
41 |
|
[UNX]B:306 |
1 |
1 |
129 |
◊ |
B |
-x-1,y,-z-1 |
2_454 |
4 |
3 |
6710 |
19.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 38 |
42 |
|
[UNX]A:312 |
1 |
1 |
129 |
f |
[UNX]A:310 |
x,y,z |
1_555 |
1 |
1 |
129 |
19.0 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.003 |
| 39 |
43 |
|
[UNX]B:307 |
1 |
1 |
129 |
fx |
[UNX]B:305 |
x,y,z |
1_555 |
1 |
1 |
129 |
17.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.019 |
| 40 |
44 |
|
[UNX]A:312 |
1 |
1 |
129 |
f |
[UNX]A:307 |
x,y,z |
1_555 |
1 |
1 |
129 |
17.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.003 |
| 41 |
45 |
|
[UNX]A:313 |
1 |
1 |
129 |
f |
[EDO]A:303 |
x,y,z |
1_555 |
1 |
1 |
182 |
13.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.003 |
| 42 |
46 |
|
A |
2 |
1 |
6777 |
◊ |
A |
-x,y,-z |
2_555 |
2 |
1 |
6777 |
13.2 |
-0.4 |
0.319 |
0 |
0 |
0 |
0.000 |
| 43 |
47 |
|
[UNX]B:307 |
1 |
1 |
129 |
fx |
[EDO]B:304 |
x,y,z |
1_555 |
2 |
1 |
184 |
10.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.005 |
| 44 |
48 |
|
[UNX]B:307 |
1 |
1 |
129 |
fx |
[UNX]B:306 |
x,y,z |
1_555 |
1 |
1 |
129 |
10.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.021 |
| 45 |
49 |
|
[UNX]B:306 |
1 |
1 |
129 |
f |
[EDO]B:304 |
x,y,z |
1_555 |
1 |
1 |
184 |
9.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
| 46 |
50 |
|
[UNX]A:312 |
1 |
1 |
129 |
f |
[UNX]A:305 |
x,y,z |
1_555 |
1 |
1 |
129 |
6.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.001 |
| 47 |
51 |
|
[UNX]A:306 |
1 |
1 |
129 |
◊ |
[EDO]A:303 |
x,y,z |
1_555 |
1 |
1 |
182 |
6.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 48 |
52 |
|
[UNX]B:310 |
1 |
1 |
129 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
6777 |
6.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 49 |
53 |
|
[KKG]A:302 |
1 |
1 |
352 |
f |
B |
-x,y,-z-1 |
2_554 |
1 |
1 |
6710 |
1.9 |
0.1 |
0.379 |
0 |
0 |
0 |
0.000 |
| 50 |
54 |
|
[UNX]B:306 |
1 |
1 |
129 |
f |
[UNX]B:306 |
-x-1,y,-z-1 |
2_454 |
1 |
1 |
129 |
1.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 51 |
55 |
|
[UNX]A:311 |
1 |
1 |
129 |
f |
[UNX]A:310 |
x,y,z |
1_555 |
1 |
1 |
129 |
1.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 52 |
56 |
|
[UNX]B:305 |
1 |
1 |
129 |
fx |
[KKG]B:302 |
x,y,z |
1_555 |
2 |
1 |
353 |
1.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 53 |
57 |
|
B |
1 |
1 |
6710 |
f |
[UNX]A:313 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
129 |
1.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|