## |
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 |
139 |
42 |
18317 |
◊ |
A |
x,y,z |
1_555 |
142 |
45 |
18404 |
1301.1 |
-8.3 |
0.374 |
19 |
0 |
0 |
0.000 |
2 |
2 |
|
B |
78 |
27 |
18317 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
80 |
26 |
18404 |
842.9 |
-4.4 |
0.414 |
7 |
8 |
0 |
0.000 |
3 |
3 |
|
B |
45 |
12 |
18317 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
39 |
14 |
18404 |
382.1 |
-2.7 |
0.410 |
2 |
1 |
0 |
0.000 |
4 |
4 |
|
A |
24 |
6 |
18404 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
24 |
6 |
18317 |
189.4 |
-0.3 |
0.626 |
0 |
0 |
0 |
0.000 |
5 |
5 |
|
[PEG]A:636 |
7 |
1 |
258 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
18404 |
124.7 |
4.0 |
0.465 |
1 |
0 |
0 |
0.000 |
6 |
6 |
|
[EDO]A:625 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
18404 |
111.8 |
3.4 |
0.424 |
2 |
0 |
0 |
0.000 |
7 |
7 |
|
[ACT]B:605 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
18317 |
110.7 |
0.1 |
0.725 |
3 |
0 |
0 |
0.000 |
8 |
8 |
|
[EDO]A:634 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
18404 |
110.5 |
2.8 |
0.500 |
1 |
0 |
0 |
0.000 |
9 |
9 |
|
[EDO]B:621 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
18317 |
109.9 |
3.7 |
0.461 |
2 |
0 |
0 |
0.000 |
10 |
10 |
|
[ACT]A:604 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
18404 |
109.9 |
0.1 |
0.736 |
2 |
0 |
0 |
0.000 |
11 |
11 |
|
[EDO]A:612 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
18404 |
109.3 |
2.9 |
0.451 |
5 |
0 |
0 |
0.000 |
12 |
12 |
|
[EDO]B:618 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
18317 |
107.4 |
2.9 |
0.460 |
4 |
0 |
0 |
0.000 |
13 |
13 |
|
[EDO]B:617 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
18317 |
106.0 |
2.9 |
0.499 |
0 |
0 |
0 |
0.000 |
14 |
14 |
|
[EDO]B:624 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
10 |
18317 |
105.3 |
4.1 |
0.666 |
2 |
0 |
0 |
0.000 |
15 |
15 |
|
[EDO]B:614 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
18317 |
105.1 |
3.4 |
0.520 |
3 |
0 |
0 |
0.000 |
16 |
16 |
|
[EDO]A:632 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
18404 |
102.3 |
3.3 |
0.494 |
3 |
0 |
0 |
0.000 |
17 |
17 |
|
[EDO]A:613 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
18404 |
102.2 |
3.2 |
0.512 |
4 |
0 |
0 |
0.000 |
18 |
18 |
|
[ACT]B:611 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
18317 |
101.6 |
-0.9 |
0.556 |
1 |
0 |
0 |
0.000 |
19 |
19 |
|
[ACT]A:603 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
18404 |
100.0 |
-1.2 |
0.537 |
1 |
0 |
0 |
0.000 |
20 |
20 |
|
[EDO]B:620 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
18317 |
99.8 |
2.5 |
0.409 |
2 |
0 |
0 |
0.000 |
21 |
21 |
|
[EDO]B:623 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
18317 |
99.3 |
3.7 |
0.539 |
3 |
0 |
0 |
0.000 |
22 |
22 |
|
[EDO]B:629 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
18317 |
98.2 |
2.2 |
0.396 |
2 |
0 |
0 |
0.000 |
23 |
23 |
|
[EDO]A:626 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
18404 |
97.4 |
2.9 |
0.379 |
0 |
0 |
0 |
0.000 |
24 |
24 |
|
[EDO]B:622 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
18317 |
97.2 |
3.1 |
0.428 |
1 |
0 |
0 |
0.000 |
25 |
25 |
|
[ACT]A:607 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
18404 |
97.1 |
-0.8 |
0.514 |
2 |
0 |
0 |
0.000 |
26 |
26 |
|
[EDO]B:615 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
18317 |
97.0 |
2.5 |
0.441 |
4 |
0 |
0 |
0.000 |
27 |
27 |
|
[EDO]B:635 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
18317 |
96.8 |
3.0 |
0.503 |
2 |
0 |
0 |
0.000 |
28 |
28 |
|
[EDO]A:631 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
18404 |
95.5 |
2.8 |
0.497 |
1 |
0 |
0 |
0.000 |
29 |
29 |
|
[ACT]A:601 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
18404 |
92.3 |
0.0 |
0.713 |
1 |
0 |
0 |
0.000 |
30 |
30 |
|
[ACT]A:609 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
18404 |
89.7 |
0.3 |
0.796 |
0 |
0 |
0 |
0.000 |
31 |
31 |
|
[EDO]A:630 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
18404 |
87.8 |
2.1 |
0.258 |
2 |
0 |
0 |
0.000 |
32 |
32 |
|
[EDO]A:627 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
18404 |
82.4 |
2.4 |
0.289 |
2 |
0 |
0 |
0.000 |
33 |
33 |
|
[ACT]B:602 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
18317 |
82.2 |
0.0 |
0.749 |
3 |
0 |
0 |
0.000 |
34 |
34 |
|
[EDO]A:628 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
18404 |
81.8 |
1.7 |
0.257 |
5 |
0 |
0 |
0.000 |
35 |
35 |
|
[EDO]B:619 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
18317 |
81.2 |
1.7 |
0.254 |
5 |
0 |
0 |
0.000 |
36 |
36 |
|
[ACT]A:608 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
18404 |
80.9 |
0.6 |
0.808 |
2 |
0 |
0 |
0.000 |
37 |
37 |
|
[PEG]A:636 |
7 |
1 |
258 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
18317 |
78.2 |
0.2 |
0.128 |
0 |
0 |
0 |
0.000 |
38 |
38 |
|
[EDO]B:616 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
18317 |
74.5 |
1.8 |
0.256 |
3 |
0 |
0 |
0.000 |
39 |
39 |
|
[ACT]B:610 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
18317 |
62.9 |
-0.1 |
0.605 |
1 |
0 |
0 |
0.000 |
40 |
40 |
|
[ACT]B:610 |
3 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
18404 |
62.7 |
-0.7 |
0.614 |
0 |
0 |
0 |
0.000 |
41 |
41 |
|
[ACT]A:606 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
18317 |
60.5 |
-0.6 |
0.587 |
0 |
0 |
0 |
0.000 |
42 |
42 |
|
[ACT]A:606 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
18404 |
57.1 |
0.2 |
0.641 |
1 |
0 |
0 |
0.000 |
43 |
43 |
|
[EDO]B:633 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
18317 |
56.5 |
1.7 |
0.828 |
1 |
0 |
0 |
0.000 |
44 |
44 |
|
[CL]A:600 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
18317 |
52.7 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
|
[CL]A:600 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
18404 |
51.6 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
52.2 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
46 |
|
A |
5 |
2 |
18404 |
◊ |
[EDO]B:616 |
x-1,y,z |
1_455 |
3 |
1 |
185 |
45.2 |
1.1 |
0.801 |
1 |
0 |
0 |
0.000 |
46 |
47 |
|
[ACT]A:609 |
3 |
1 |
184 |
f |
[ACT]A:608 |
x,y,z |
1_555 |
3 |
1 |
183 |
44.6 |
-0.7 |
0.688 |
0 |
0 |
0 |
0.000 |
47 |
48 |
|
B |
3 |
2 |
18317 |
◊ |
[EDO]A:628 |
-x+2,y-1/2,-z+1/2 |
3_745 |
4 |
1 |
185 |
44.1 |
0.8 |
0.358 |
0 |
0 |
0 |
0.000 |
48 |
49 |
|
[EDO]B:619 |
4 |
1 |
183 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
3 |
2 |
18404 |
41.2 |
0.8 |
0.448 |
0 |
0 |
0 |
0.000 |
49 |
50 |
|
[EDO]A:630 |
4 |
1 |
184 |
f |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
3 |
1 |
18317 |
39.5 |
0.9 |
0.829 |
1 |
0 |
0 |
0.000 |
50 |
51 |
|
A |
7 |
1 |
18404 |
◊ |
[ACT]B:602 |
x-1,y,z |
1_455 |
4 |
1 |
183 |
37.5 |
-0.5 |
0.471 |
0 |
0 |
0 |
0.000 |
51 |
52 |
|
[EDO]B:633 |
3 |
1 |
183 |
f |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
6 |
3 |
18404 |
30.7 |
0.2 |
0.550 |
0 |
0 |
0 |
0.000 |
52 |
53 |
|
[EDO]A:627 |
2 |
1 |
184 |
f |
[EDO]B:616 |
x-1,y,z |
1_455 |
3 |
1 |
185 |
29.7 |
1.9 |
1.000 |
0 |
0 |
0 |
0.000 |
53 |
54 |
|
[EDO]A:625 |
3 |
1 |
185 |
f |
[ACT]A:603 |
x,y,z |
1_555 |
2 |
1 |
182 |
25.8 |
0.5 |
0.866 |
1 |
0 |
0 |
0.000 |
54 |
55 |
|
A |
6 |
4 |
18404 |
◊ |
B |
x-1,y,z |
1_455 |
7 |
5 |
18317 |
22.7 |
-0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
55 |
56 |
|
[EDO]A:626 |
2 |
1 |
184 |
f |
[ACT]A:607 |
x,y,z |
1_555 |
1 |
1 |
183 |
20.2 |
0.5 |
1.000 |
1 |
0 |
0 |
0.000 |
56 |
57 |
|
[EDO]A:628 |
3 |
1 |
185 |
f |
[ACT]A:601 |
x,y,z |
1_555 |
3 |
1 |
183 |
17.8 |
0.5 |
0.935 |
0 |
0 |
0 |
0.000 |
57 |
58 |
|
[EDO]B:616 |
3 |
1 |
185 |
f |
[ACT]B:602 |
x,y,z |
1_555 |
1 |
1 |
183 |
15.0 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
58 |
59 |
|
A |
2 |
2 |
18404 |
x |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
2 |
2 |
18404 |
12.3 |
-0.4 |
0.257 |
0 |
0 |
0 |
0.000 |
60 |
|
B |
1 |
1 |
18317 |
x |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
18317 |
8.3 |
-0.3 |
0.197 |
0 |
0 |
0 |
0.000 |
Average: |
10.3 |
-0.3 |
0.227 |
0 |
0 |
0 |
0.000 |
59 |
61 |
|
[EDO]B:629 |
1 |
1 |
184 |
f |
[ACT]B:611 |
x,y,z |
1_555 |
2 |
1 |
183 |
10.9 |
0.2 |
0.866 |
0 |
0 |
0 |
0.000 |
60 |
62 |
|
B |
1 |
1 |
18317 |
◊ |
[ACT]A:606 |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
183 |
6.1 |
-0.2 |
0.354 |
0 |
0 |
0 |
0.000 |
61 |
63 |
|
[EDO]A:634 |
1 |
1 |
185 |
f |
[EDO]A:612 |
x,y,z |
1_555 |
2 |
1 |
185 |
4.2 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
62 |
64 |
|
[EDO]A:627 |
1 |
1 |
184 |
f |
B |
x-1,y,z |
1_455 |
2 |
2 |
18317 |
4.1 |
0.2 |
0.834 |
0 |
0 |
0 |
0.000 |
63 |
65 |
|
[PEG]A:636 |
1 |
1 |
258 |
f |
[EDO]B:618 |
x,y,z |
1_555 |
1 |
1 |
185 |
2.6 |
0.2 |
0.535 |
0 |
0 |
0 |
0.000 |
64 |
66 |
|
B |
1 |
1 |
18317 |
◊ |
[ACT]A:601 |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
183 |
1.6 |
-0.1 |
0.463 |
0 |
0 |
0 |
0.000 |
65 |
67 |
|
[EDO]B:623 |
1 |
1 |
185 |
f |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
18404 |
0.8 |
0.0 |
0.821 |
0 |
0 |
0 |
0.000 |
|