| ## |
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 |
|
A |
91 |
23 |
13817 |
◊ |
C |
x-1/2,-y+5/2,-z+1 |
4_476 |
93 |
24 |
14150 |
926.1 |
-12.4 |
0.094 |
5 |
2 |
0 |
0.000 |
| 2 |
2 |
|
B |
59 |
20 |
13538 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
70 |
18 |
13817 |
580.6 |
-0.3 |
0.667 |
9 |
1 |
0 |
0.000 |
3 |
|
B |
52 |
12 |
13538 |
◊ |
A |
-x+3,y-1/2,-z+1/2 |
3_845 |
50 |
18 |
13817 |
486.1 |
0.2 |
0.681 |
8 |
0 |
0 |
0.000 |
| Average: |
533.3 |
-0.0 |
0.674 |
9 |
1 |
0 |
0.000 |
| 3 |
4 |
|
C |
58 |
19 |
14150 |
◊ |
B |
x,y,z |
1_555 |
57 |
15 |
13538 |
534.5 |
-5.7 |
0.232 |
7 |
7 |
0 |
0.000 |
| 4 |
5 |
|
C |
48 |
12 |
14150 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
66 |
22 |
13538 |
506.4 |
-5.2 |
0.299 |
5 |
2 |
0 |
0.000 |
| 5 |
6 |
|
B |
36 |
11 |
13538 |
◊ |
A |
x,y,z |
1_555 |
38 |
14 |
13817 |
308.2 |
1.3 |
0.647 |
4 |
1 |
0 |
0.000 |
| 6 |
7 |
|
[DXK]A:1001 |
17 |
1 |
405 |
f |
A |
x,y,z |
1_555 |
36 |
17 |
13817 |
258.7 |
-2.6 |
0.456 |
2 |
0 |
0 |
1.000 |
8 |
|
[DXK]B:1001 |
17 |
1 |
404 |
f |
B |
x,y,z |
1_555 |
35 |
17 |
13538 |
257.9 |
-2.7 |
0.466 |
2 |
0 |
0 |
1.000 |
9 |
|
[DXK]C:1001 |
17 |
1 |
401 |
f |
C |
x,y,z |
1_555 |
37 |
16 |
14150 |
252.0 |
-2.6 |
0.509 |
2 |
0 |
0 |
1.000 |
| Average: |
256.2 |
-2.6 |
0.477 |
2 |
0 |
0 |
1.000 |
| 7 |
10 |
|
C |
13 |
4 |
14150 |
x |
C |
x-1,y,z |
1_455 |
13 |
5 |
14150 |
118.5 |
-0.5 |
0.564 |
0 |
0 |
0 |
0.000 |
| 8 |
11 |
|
C |
14 |
5 |
14150 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
13817 |
110.8 |
2.1 |
0.853 |
4 |
3 |
0 |
0.000 |
| 9 |
12 |
|
[EDO]A:1008 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
13817 |
100.1 |
2.3 |
0.269 |
1 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[EDO]A:1006 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
13817 |
98.5 |
3.1 |
0.506 |
4 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[EDO]A:1004 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
13817 |
90.4 |
2.3 |
0.283 |
4 |
0 |
0 |
0.000 |
| 12 |
15 |
|
[EDO]C:1002 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
17 |
7 |
14150 |
87.7 |
1.8 |
0.255 |
2 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[EDO]A:1010 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
13817 |
86.4 |
1.7 |
0.238 |
1 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[EDO]A:1002 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
13817 |
84.1 |
1.9 |
0.261 |
1 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[EDO]A:1005 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
13817 |
84.1 |
2.3 |
0.268 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[EDO]A:1011 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
13817 |
82.4 |
3.1 |
0.316 |
2 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[EDO]B:1003 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
13538 |
81.5 |
1.2 |
0.166 |
1 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[EDO]A:1003 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
13538 |
74.1 |
1.2 |
0.613 |
0 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[EDO]A:1003 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
10 |
6 |
13817 |
71.4 |
1.7 |
0.244 |
1 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[EDO]B:1002 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
13538 |
70.7 |
2.1 |
0.278 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
B |
12 |
5 |
13538 |
◊ |
[EDO]A:1012 |
-x+2,y-1/2,-z+1/2 |
3_745 |
3 |
1 |
183 |
66.4 |
1.4 |
0.256 |
1 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[EDO]A:1012 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
13817 |
63.4 |
1.7 |
0.772 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[EDO]C:1003 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
14150 |
62.7 |
1.2 |
0.669 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
[EDO]A:1009 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
8 |
2 |
14150 |
61.6 |
1.0 |
0.627 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
[EDO]B:1002 |
3 |
1 |
185 |
f |
A |
-x+3,y-1/2,-z+1/2 |
3_845 |
11 |
5 |
13817 |
60.0 |
1.2 |
0.722 |
0 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[EDO]B:1004 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
13538 |
59.2 |
1.6 |
0.244 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
[EDO]A:1009 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
13817 |
58.4 |
1.9 |
0.834 |
0 |
0 |
0 |
0.000 |
| 28 |
31 |
|
[EDO]A:1007 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
13817 |
56.0 |
1.3 |
0.860 |
1 |
0 |
0 |
0.000 |
| 29 |
32 |
|
[EDO]A:1005 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
14150 |
55.7 |
1.7 |
0.806 |
1 |
0 |
0 |
0.000 |
| 30 |
33 |
|
B |
7 |
3 |
13538 |
◊ |
[EDO]A:1010 |
-x+2,y-1/2,-z+1/2 |
3_745 |
2 |
1 |
184 |
49.3 |
1.6 |
0.683 |
0 |
0 |
0 |
0.000 |
| 31 |
34 |
|
[EDO]A:1002 |
3 |
1 |
184 |
f |
C |
x-1/2,-y+5/2,-z+1 |
4_476 |
9 |
2 |
14150 |
45.5 |
1.4 |
0.840 |
0 |
0 |
0 |
0.000 |
| 32 |
35 |
|
[EDO]A:1006 |
4 |
1 |
184 |
f |
[DXK]A:1001 |
x,y,z |
1_555 |
10 |
1 |
405 |
44.7 |
0.9 |
0.846 |
0 |
0 |
0 |
0.000 |
| 33 |
36 |
|
[EDO]B:1005 |
3 |
1 |
185 |
◊ |
[EDO]B:1004 |
x,y,z |
1_555 |
2 |
1 |
185 |
38.9 |
1.9 |
0.707 |
0 |
0 |
0 |
0.000 |
| 34 |
37 |
|
[EDO]B:1005 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
13538 |
36.6 |
0.9 |
0.755 |
0 |
0 |
0 |
0.000 |
| 35 |
38 |
|
C |
3 |
1 |
14150 |
◊ |
B |
-x+3,y-1/2,-z+1/2 |
3_845 |
4 |
1 |
13538 |
35.6 |
1.0 |
0.532 |
0 |
0 |
0 |
0.000 |
| 36 |
39 |
|
A |
2 |
2 |
13817 |
f |
[EDO]C:1002 |
x-1/2,-y+5/2,-z+1 |
4_476 |
2 |
1 |
184 |
33.2 |
0.9 |
0.936 |
1 |
0 |
0 |
0.000 |
| 37 |
40 |
|
[EDO]A:1007 |
2 |
1 |
183 |
◊ |
[EDO]C:1002 |
x-1/2,-y+5/2,-z+1 |
4_476 |
2 |
1 |
184 |
29.3 |
1.5 |
0.707 |
0 |
0 |
0 |
0.000 |
| 38 |
41 |
|
[EDO]B:1004 |
3 |
1 |
185 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
4 |
2 |
13817 |
23.3 |
0.9 |
0.873 |
0 |
0 |
0 |
0.000 |
| 39 |
42 |
|
C |
3 |
1 |
14150 |
◊ |
[EDO]B:1005 |
-x+2,y-1/2,-z+1/2 |
3_745 |
2 |
1 |
185 |
20.3 |
0.9 |
0.876 |
0 |
0 |
0 |
0.000 |
| 40 |
43 |
|
[EDO]C:1003 |
2 |
1 |
185 |
f |
[EDO]A:1005 |
x,y,z |
1_555 |
1 |
1 |
184 |
19.2 |
0.5 |
1.000 |
1 |
0 |
0 |
0.000 |
| 41 |
44 |
|
[EDO]C:1003 |
1 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
13817 |
18.5 |
-0.0 |
0.494 |
0 |
0 |
0 |
0.000 |
| 42 |
45 |
|
B |
3 |
1 |
13538 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
2 |
13817 |
16.3 |
0.1 |
0.592 |
0 |
0 |
0 |
0.000 |
| 43 |
46 |
|
[EDO]A:1012 |
2 |
1 |
183 |
f |
[EDO]A:1010 |
x,y,z |
1_555 |
2 |
1 |
184 |
15.2 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 44 |
47 |
|
[EDO]A:1007 |
1 |
1 |
183 |
f |
C |
x-1/2,-y+5/2,-z+1 |
4_476 |
4 |
1 |
14150 |
14.1 |
0.5 |
0.555 |
0 |
0 |
0 |
0.000 |
| 45 |
48 |
|
C |
2 |
1 |
14150 |
◊ |
A |
-x+3,y-1/2,-z+1/2 |
3_845 |
2 |
1 |
13817 |
12.9 |
0.1 |
0.629 |
0 |
0 |
0 |
0.000 |
| 46 |
49 |
|
C |
2 |
1 |
14150 |
◊ |
A |
x-1/2,-y+5/2,-z+1 |
4_476 |
2 |
1 |
13817 |
10.8 |
0.2 |
0.730 |
0 |
0 |
0 |
0.000 |
| 47 |
50 |
|
[EDO]B:1005 |
2 |
1 |
185 |
f |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
13817 |
7.9 |
0.2 |
0.911 |
0 |
0 |
0 |
0.000 |
| 48 |
51 |
|
[EDO]A:1008 |
1 |
1 |
183 |
f |
[EDO]A:1004 |
x,y,z |
1_555 |
1 |
1 |
183 |
2.8 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 49 |
52 |
|
B |
1 |
1 |
13538 |
◊ |
C |
-x+5/2,-y+2,z-1/2 |
2_774 |
1 |
1 |
14150 |
0.5 |
0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
|