## |
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 |
118 |
32 |
12680 |
◊ |
A |
x,y,z |
1_555 |
145 |
38 |
12453 |
1160.1 |
-16.3 |
0.118 |
14 |
2 |
0 |
0.613 |
2 |
|
C |
120 |
30 |
12525 |
◊ |
B |
x,y,z |
1_555 |
143 |
39 |
12680 |
1126.7 |
-14.6 |
0.176 |
16 |
2 |
0 |
0.613 |
3 |
|
C |
133 |
38 |
12525 |
◊ |
A |
x,y,z |
1_555 |
111 |
31 |
12453 |
1104.5 |
-15.2 |
0.122 |
13 |
2 |
0 |
0.613 |
Average: |
1130.5 |
-15.4 |
0.139 |
14 |
2 |
0 |
0.613 |
2 |
4 |
|
C |
55 |
16 |
12525 |
◊ |
A |
x-1/2,-y+5/2,-z+2 |
8_477 |
51 |
13 |
12453 |
488.9 |
3.7 |
0.937 |
7 |
4 |
0 |
0.000 |
3 |
5 |
|
[OS6]B:303 |
28 |
1 |
709 |
f |
B |
x,y,z |
1_555 |
69 |
29 |
12680 |
451.5 |
-1.9 |
0.295 |
4 |
0 |
0 |
0.063 |
6 |
|
[OS6]A:306 |
28 |
1 |
718 |
f |
A |
x,y,z |
1_555 |
66 |
28 |
12453 |
444.6 |
-1.8 |
0.291 |
3 |
0 |
0 |
0.063 |
Average: |
448.0 |
-1.8 |
0.293 |
4 |
0 |
0 |
0.063 |
4 |
7 |
|
C |
54 |
15 |
12525 |
◊ |
A |
-x+2,y,-z+5/2 |
3_757 |
45 |
15 |
12453 |
425.8 |
-2.9 |
0.530 |
5 |
0 |
0 |
0.060 |
8 |
|
B |
46 |
14 |
12680 |
◊ |
B |
-x+2,y,-z+5/2 |
3_757 |
46 |
14 |
12680 |
399.9 |
0.0 |
0.774 |
9 |
0 |
0 |
0.060 |
Average: |
412.9 |
-1.4 |
0.652 |
7 |
0 |
0 |
0.060 |
5 |
9 |
|
[OS6]C:307 |
28 |
1 |
722 |
f |
C |
x,y,z |
1_555 |
56 |
21 |
12525 |
376.2 |
-2.6 |
0.210 |
3 |
0 |
0 |
0.036 |
6 |
10 |
|
B |
36 |
11 |
12680 |
◊ |
B |
x,-y+3,-z+2 |
4_587 |
36 |
11 |
12680 |
360.9 |
1.3 |
0.842 |
6 |
4 |
0 |
0.000 |
7 |
11 |
|
B |
31 |
9 |
12680 |
◊ |
A |
-x+2,y,-z+5/2 |
3_757 |
32 |
10 |
12453 |
248.6 |
-2.3 |
0.495 |
0 |
0 |
0 |
0.019 |
8 |
12 |
|
C |
32 |
13 |
12525 |
◊ |
B |
x-1/2,y-1/2,z |
5_445 |
26 |
8 |
12680 |
238.1 |
0.7 |
0.776 |
2 |
2 |
0 |
0.000 |
13 |
|
B |
26 |
9 |
12680 |
◊ |
A |
x-1/2,y+1/2,z |
5_455 |
19 |
7 |
12453 |
199.3 |
1.7 |
0.863 |
4 |
3 |
0 |
0.000 |
Average: |
218.7 |
1.2 |
0.820 |
3 |
3 |
0 |
0.000 |
9 |
14 |
|
C |
26 |
7 |
12525 |
◊ |
C |
-x+2,y,-z+5/2 |
3_757 |
26 |
7 |
12525 |
235.9 |
-0.8 |
0.627 |
2 |
0 |
0 |
0.007 |
10 |
15 |
|
C |
26 |
9 |
12525 |
◊ |
A |
x-1,y,z |
1_455 |
19 |
6 |
12453 |
201.1 |
1.0 |
0.785 |
3 |
0 |
0 |
0.000 |
11 |
16 |
|
C |
13 |
6 |
12525 |
◊ |
B |
-x+3/2,y-1/2,-z+5/2 |
7_647 |
13 |
5 |
12680 |
109.6 |
-1.8 |
0.349 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[OS6]C:307 |
8 |
1 |
722 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
12680 |
74.8 |
0.8 |
0.401 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[EDO]C:304 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
12525 |
72.1 |
0.5 |
0.596 |
1 |
0 |
0 |
0.000 |
14 |
19 |
|
[OS6]A:306 |
7 |
1 |
718 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
12525 |
71.8 |
0.6 |
0.422 |
0 |
0 |
0 |
0.000 |
20 |
|
[OS6]B:303 |
8 |
1 |
709 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
12453 |
69.8 |
0.5 |
0.404 |
0 |
0 |
0 |
0.000 |
Average: |
70.8 |
0.5 |
0.413 |
0 |
0 |
0 |
0.000 |
15 |
21 |
|
C |
7 |
2 |
12525 |
◊ |
B |
x-1/2,-y+5/2,-z+2 |
8_477 |
6 |
3 |
12680 |
71.1 |
1.6 |
0.872 |
1 |
1 |
0 |
0.000 |
16 |
22 |
|
[EDO]C:303 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
12525 |
62.6 |
1.6 |
0.773 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
[EDO]A:303 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
12525 |
62.6 |
1.3 |
0.741 |
1 |
0 |
0 |
0.000 |
18 |
24 |
|
[EDO]C:305 |
4 |
1 |
184 |
◊ |
B |
x-1/2,y-1/2,z |
5_445 |
7 |
2 |
12680 |
60.3 |
1.0 |
0.757 |
1 |
0 |
0 |
0.000 |
19 |
25 |
|
[CL]C:302 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
12525 |
58.4 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.242 |
26 |
|
[CL]A:302 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
12453 |
57.9 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.242 |
27 |
|
[CL]B:301 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
12680 |
56.6 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.242 |
Average: |
57.6 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.242 |
20 |
28 |
|
[CL]C:301 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
12525 |
54.7 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.067 |
21 |
29 |
|
[EDO]A:304 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
12453 |
46.9 |
1.3 |
0.782 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[EDO]A:303 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
12453 |
45.7 |
1.1 |
0.761 |
1 |
0 |
0 |
0.000 |
23 |
31 |
|
[EDO]A:305 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
12453 |
44.9 |
0.8 |
0.641 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
[CL]C:301 |
1 |
1 |
125 |
◊ |
A |
x-1/2,-y+5/2,-z+2 |
8_477 |
12 |
4 |
12453 |
44.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
33 |
|
C |
4 |
2 |
12525 |
◊ |
C |
-x+1,y,-z+5/2 |
3_657 |
4 |
2 |
12525 |
42.7 |
-1.4 |
0.155 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
[CL]A:301 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
12453 |
38.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.096 |
35 |
|
[CL]A:301 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
12525 |
38.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.096 |
36 |
|
[CL]A:301 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
12680 |
37.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.096 |
Average: |
38.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.096 |
27 |
37 |
|
A |
2 |
1 |
12453 |
x |
A |
x-1/2,-y+5/2,-z+2 |
8_477 |
5 |
1 |
12453 |
38.1 |
-0.5 |
0.384 |
0 |
0 |
0 |
0.000 |
28 |
38 |
|
[OS6]B:303 |
7 |
1 |
709 |
f |
[CL]B:301 |
x,y,z |
1_555 |
1 |
1 |
125 |
36.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.095 |
39 |
|
[OS6]C:307 |
5 |
1 |
722 |
f |
[CL]C:302 |
x,y,z |
1_555 |
1 |
1 |
125 |
35.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.095 |
40 |
|
[OS6]A:306 |
5 |
1 |
718 |
f |
[CL]A:302 |
x,y,z |
1_555 |
1 |
1 |
125 |
33.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.095 |
Average: |
35.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.095 |
29 |
41 |
|
[EDO]C:303 |
2 |
1 |
184 |
f |
[EDO]A:303 |
x,y,z |
1_555 |
3 |
1 |
185 |
35.6 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
30 |
42 |
|
B |
8 |
3 |
12680 |
◊ |
[EDO]A:304 |
x-1/2,y+1/2,z |
5_455 |
3 |
1 |
185 |
35.5 |
0.7 |
0.805 |
1 |
0 |
0 |
0.000 |
31 |
43 |
|
[EDO]C:306 |
2 |
1 |
184 |
f |
[EDO]C:305 |
x,y,z |
1_555 |
2 |
1 |
184 |
35.5 |
1.6 |
1.000 |
0 |
0 |
0 |
0.000 |
32 |
44 |
|
[EDO]C:305 |
3 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
12525 |
31.7 |
0.4 |
0.656 |
1 |
0 |
0 |
0.000 |
33 |
45 |
|
[EDO]C:303 |
3 |
1 |
184 |
f |
[EDO]A:304 |
x,y,z |
1_555 |
2 |
1 |
185 |
31.5 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
34 |
46 |
|
[EDO]C:304 |
2 |
1 |
185 |
◊ |
A |
x-1/2,-y+5/2,-z+2 |
8_477 |
5 |
3 |
12453 |
28.2 |
0.4 |
0.682 |
0 |
0 |
0 |
0.000 |
35 |
47 |
|
[EDO]A:305 |
2 |
1 |
183 |
◊ |
[EDO]A:304 |
x,y,z |
1_555 |
3 |
1 |
185 |
28.1 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
36 |
48 |
|
[EDO]C:304 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
12680 |
27.0 |
0.6 |
0.778 |
1 |
0 |
0 |
0.000 |
37 |
49 |
|
[EDO]C:306 |
4 |
1 |
184 |
◊ |
B |
x-1/2,y-1/2,z |
5_445 |
3 |
3 |
12680 |
21.7 |
0.3 |
0.729 |
0 |
0 |
0 |
0.000 |
38 |
50 |
|
[EDO]C:303 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
12453 |
20.4 |
0.3 |
0.517 |
0 |
0 |
0 |
0.000 |
39 |
51 |
|
[EDO]C:303 |
2 |
1 |
184 |
◊ |
[EDO]A:305 |
x,y,z |
1_555 |
2 |
1 |
183 |
19.5 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
40 |
52 |
|
[EDO]A:304 |
1 |
1 |
185 |
f |
[EDO]A:303 |
x,y,z |
1_555 |
2 |
1 |
185 |
16.8 |
0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
41 |
53 |
|
B |
2 |
1 |
12680 |
f |
[EDO]A:305 |
x-1/2,y+1/2,z |
5_455 |
3 |
1 |
183 |
15.4 |
0.2 |
0.533 |
0 |
0 |
0 |
0.000 |
42 |
54 |
|
[EDO]C:306 |
2 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
12525 |
9.3 |
0.1 |
0.468 |
0 |
0 |
0 |
0.000 |
|