| ## |
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 |
77 |
28 |
23245 |
◊ |
A |
x,y,z |
1_555 |
85 |
21 |
23466 |
690.4 |
-10.4 |
0.122 |
6 |
0 |
0 |
0.000 |
2 |
|
B |
81 |
21 |
23141 |
◊ |
A |
x,y,z |
1_555 |
82 |
29 |
23466 |
687.8 |
-9.7 |
0.134 |
6 |
0 |
0 |
0.000 |
3 |
|
C |
82 |
20 |
23245 |
◊ |
B |
x,y,z |
1_555 |
77 |
28 |
23141 |
680.7 |
-10.1 |
0.133 |
6 |
0 |
0 |
0.000 |
| Average: |
686.3 |
-10.1 |
0.130 |
6 |
0 |
0 |
0.000 |
| 2 |
4 |
|
[COA]B:706 |
44 |
1 |
943 |
f |
B |
x,y,z |
1_555 |
73 |
30 |
23141 |
619.7 |
1.5 |
0.517 |
11 |
0 |
0 |
0.000 |
5 |
|
[COA]A:706 |
44 |
1 |
945 |
f |
A |
x,y,z |
1_555 |
72 |
29 |
23466 |
608.6 |
2.8 |
0.639 |
9 |
0 |
0 |
0.000 |
6 |
|
[COA]C:805 |
44 |
1 |
936 |
f |
C |
x,y,z |
1_555 |
73 |
30 |
23245 |
603.5 |
2.2 |
0.637 |
7 |
0 |
0 |
0.000 |
| Average: |
610.6 |
2.2 |
0.598 |
9 |
0 |
0 |
0.000 |
| 3 |
7 |
|
A |
32 |
8 |
23466 |
x |
A |
-x,y-1/2,-z |
2_545 |
38 |
13 |
23466 |
273.0 |
0.6 |
0.763 |
5 |
1 |
0 |
0.000 |
8 |
|
C |
35 |
9 |
23245 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
39 |
12 |
23245 |
261.6 |
-1.6 |
0.594 |
3 |
0 |
0 |
0.000 |
9 |
|
B |
34 |
9 |
23141 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
43 |
13 |
23141 |
259.9 |
-0.0 |
0.723 |
2 |
0 |
0 |
0.000 |
| Average: |
264.8 |
-0.4 |
0.693 |
3 |
0 |
0 |
0.000 |
| 4 |
10 |
|
C |
21 |
5 |
23245 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
26 |
10 |
23141 |
212.8 |
0.9 |
0.805 |
3 |
2 |
0 |
0.000 |
11 |
|
B |
20 |
5 |
23141 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
27 |
10 |
23466 |
209.7 |
0.4 |
0.745 |
3 |
2 |
0 |
0.000 |
12 |
|
A |
20 |
5 |
23466 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
23 |
9 |
23245 |
202.8 |
0.6 |
0.774 |
3 |
2 |
0 |
0.000 |
| Average: |
208.4 |
0.6 |
0.775 |
3 |
2 |
0 |
0.000 |
| 5 |
13 |
|
A |
19 |
6 |
23466 |
◊ |
B |
x-1,y,z |
1_455 |
19 |
8 |
23141 |
138.7 |
-0.4 |
0.608 |
1 |
0 |
0 |
0.000 |
14 |
|
A |
15 |
5 |
23466 |
◊ |
C |
x-1,y,z-1 |
1_454 |
13 |
6 |
23245 |
114.5 |
-0.6 |
0.557 |
1 |
0 |
0 |
0.000 |
15 |
|
B |
12 |
4 |
23141 |
◊ |
C |
x,y,z-1 |
1_554 |
13 |
4 |
23245 |
112.4 |
-0.5 |
0.571 |
1 |
0 |
0 |
0.000 |
| Average: |
121.9 |
-0.5 |
0.579 |
1 |
0 |
0 |
0.000 |
| 6 |
16 |
|
[EDO]A:702 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
23466 |
109.9 |
3.6 |
0.484 |
2 |
0 |
0 |
0.000 |
17 |
|
[EDO]B:704 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
23141 |
106.5 |
3.4 |
0.475 |
2 |
0 |
0 |
0.000 |
| Average: |
108.2 |
3.5 |
0.480 |
2 |
0 |
0 |
0.000 |
| 7 |
18 |
|
[EDO]A:703 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
23466 |
107.7 |
3.2 |
0.496 |
2 |
0 |
0 |
0.000 |
| 8 |
19 |
|
[EDO]C:804 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
19 |
7 |
23245 |
107.5 |
3.4 |
0.505 |
2 |
0 |
0 |
0.000 |
| 9 |
20 |
|
[EDO]C:802 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
23245 |
107.1 |
3.3 |
0.490 |
3 |
0 |
0 |
0.000 |
| 10 |
21 |
|
[EDO]B:702 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
23141 |
105.9 |
3.3 |
0.496 |
2 |
0 |
0 |
0.000 |
| 11 |
22 |
|
[EDO]B:701 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
23141 |
102.4 |
3.7 |
0.515 |
2 |
0 |
0 |
0.000 |
| 12 |
23 |
|
[EDO]A:704 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
23466 |
102.2 |
2.8 |
0.358 |
2 |
0 |
0 |
0.000 |
| 13 |
24 |
|
[EDO]A:701 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
23466 |
94.8 |
3.3 |
0.487 |
0 |
0 |
0 |
0.000 |
| 14 |
25 |
|
[EDO]B:705 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
23141 |
94.4 |
2.7 |
0.499 |
2 |
0 |
0 |
0.000 |
| 15 |
26 |
|
[EDO]B:708 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
16 |
4 |
23245 |
89.0 |
2.0 |
0.343 |
0 |
0 |
0 |
0.000 |
| 16 |
27 |
|
[EDO]A:708 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
17 |
4 |
23141 |
88.6 |
2.1 |
0.358 |
0 |
0 |
0 |
0.000 |
| 17 |
28 |
|
[EDO]C:801 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
17 |
4 |
23466 |
87.6 |
2.0 |
0.344 |
0 |
0 |
0 |
0.000 |
| 18 |
29 |
|
[EDO]A:705 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
23466 |
81.4 |
1.6 |
0.254 |
3 |
0 |
0 |
0.000 |
30 |
|
[EDO]B:703 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
23141 |
81.0 |
1.5 |
0.248 |
3 |
0 |
0 |
0.000 |
| Average: |
81.2 |
1.5 |
0.251 |
3 |
0 |
0 |
0.000 |
| 19 |
31 |
|
[EDO]C:803 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
23245 |
81.3 |
1.6 |
0.253 |
2 |
0 |
0 |
0.000 |
| 20 |
32 |
|
[EDO]A:705 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
23141 |
71.1 |
1.7 |
0.186 |
0 |
0 |
0 |
0.000 |
33 |
|
[EDO]B:703 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
23245 |
69.6 |
1.6 |
0.199 |
0 |
0 |
0 |
0.000 |
| Average: |
70.3 |
1.6 |
0.193 |
0 |
0 |
0 |
0.000 |
| 21 |
34 |
|
[EDO]C:803 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
23466 |
70.8 |
1.6 |
0.187 |
0 |
0 |
0 |
0.000 |
| 22 |
35 |
|
[EDO]C:801 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
23245 |
66.0 |
1.2 |
0.798 |
4 |
0 |
0 |
0.000 |
| 23 |
36 |
|
[EDO]A:708 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
23466 |
64.2 |
1.3 |
0.852 |
3 |
0 |
0 |
0.000 |
37 |
|
[EDO]B:708 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
23141 |
63.6 |
1.4 |
0.866 |
4 |
0 |
0 |
0.000 |
| Average: |
63.9 |
1.4 |
0.859 |
4 |
0 |
0 |
0.000 |
| 24 |
38 |
|
[EDO]A:702 |
1 |
1 |
183 |
f |
[EDO]A:701 |
x,y,z |
1_555 |
1 |
1 |
185 |
3.1 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
|