| ## |
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 |
58 |
15 |
10297 |
◊ |
A |
x,y,z |
1_555 |
63 |
22 |
10323 |
534.4 |
-10.9 |
0.436 |
1 |
2 |
0 |
0.433 |
2 |
|
B |
52 |
20 |
10326 |
◊ |
A |
x,y,z |
1_555 |
55 |
14 |
10323 |
509.5 |
-12.3 |
0.195 |
1 |
2 |
0 |
0.433 |
3 |
|
C |
57 |
22 |
10297 |
◊ |
B |
x,y,z |
1_555 |
57 |
15 |
10326 |
495.7 |
-11.6 |
0.285 |
1 |
2 |
0 |
0.433 |
| Average: |
513.2 |
-11.6 |
0.306 |
1 |
2 |
0 |
0.433 |
| 2 |
4 |
|
[RET]C:301 |
19 |
1 |
542 |
cf |
C |
x,y,z |
1_555 |
61 |
19 |
10297 |
369.3 |
-1.4 |
0.687 |
0 |
0 |
0 |
0.047 |
5 |
|
[RET]A:301 |
19 |
1 |
542 |
cf |
A |
x,y,z |
1_555 |
60 |
19 |
10323 |
367.6 |
-1.3 |
0.668 |
0 |
0 |
0 |
0.047 |
6 |
|
[RET]B:301 |
19 |
1 |
540 |
cf |
B |
x,y,z |
1_555 |
60 |
19 |
10326 |
364.5 |
-1.3 |
0.686 |
0 |
0 |
0 |
0.047 |
| Average: |
367.1 |
-1.3 |
0.680 |
0 |
0 |
0 |
0.047 |
| 3 |
7 |
|
[OLB]C:304 |
24 |
1 |
708 |
f |
C |
x,y,z |
1_555 |
43 |
16 |
10297 |
353.4 |
-5.3 |
0.316 |
3 |
0 |
0 |
0.077 |
| 4 |
8 |
|
[OLC]A:302 |
23 |
1 |
701 |
f |
A |
x,y,z |
1_555 |
47 |
16 |
10323 |
353.4 |
-3.8 |
0.406 |
3 |
0 |
0 |
0.060 |
| 5 |
9 |
|
[OLB]B:303 |
24 |
1 |
705 |
f |
B |
x,y,z |
1_555 |
43 |
15 |
10326 |
345.5 |
-4.1 |
0.371 |
4 |
0 |
0 |
0.069 |
| 6 |
10 |
|
[OLB]A:303 |
25 |
1 |
701 |
◊ |
A |
x,y,z |
1_555 |
44 |
15 |
10323 |
341.2 |
-0.6 |
0.563 |
1 |
0 |
0 |
0.012 |
| 7 |
11 |
|
[OLB]A:306 |
24 |
1 |
705 |
◊ |
B |
x,y,z |
1_555 |
40 |
14 |
10326 |
340.0 |
-0.7 |
0.474 |
0 |
0 |
0 |
0.008 |
| 8 |
12 |
|
[OLB]C:302 |
24 |
1 |
719 |
f |
C |
x,y,z |
1_555 |
45 |
17 |
10297 |
320.4 |
-2.8 |
0.470 |
1 |
0 |
0 |
0.037 |
| 9 |
13 |
|
[OLC]C:303 |
25 |
1 |
723 |
f |
B |
x,y,z |
1_555 |
48 |
16 |
10326 |
320.0 |
-3.6 |
0.406 |
2 |
0 |
0 |
0.052 |
| 10 |
14 |
|
[OLB]B:302 |
25 |
1 |
696 |
f |
B |
x,y,z |
1_555 |
33 |
13 |
10326 |
304.6 |
-3.4 |
0.307 |
0 |
0 |
0 |
0.040 |
| 11 |
15 |
|
[OLC]A:304 |
24 |
1 |
699 |
f |
A |
x,y,z |
1_555 |
34 |
13 |
10323 |
300.4 |
-3.4 |
0.353 |
1 |
0 |
0 |
0.044 |
| 12 |
16 |
|
[OLB]A:305 |
24 |
1 |
712 |
f |
A |
x,y,z |
1_555 |
42 |
15 |
10323 |
283.6 |
-4.2 |
0.329 |
1 |
0 |
0 |
0.054 |
| 13 |
17 |
|
[OLB]C:302 |
24 |
1 |
719 |
◊ |
A |
x,y,z |
1_555 |
34 |
12 |
10323 |
271.7 |
-1.1 |
0.478 |
2 |
0 |
0 |
0.023 |
| 14 |
18 |
|
[OLC]C:303 |
24 |
1 |
723 |
◊ |
C |
x,y,z |
1_555 |
34 |
13 |
10297 |
268.8 |
-2.8 |
0.391 |
3 |
0 |
0 |
0.049 |
| 15 |
19 |
|
[OLB]A:305 |
22 |
1 |
712 |
◊ |
B |
x,y,z |
1_555 |
36 |
12 |
10326 |
251.6 |
-0.4 |
0.550 |
0 |
0 |
0 |
0.005 |
| 16 |
20 |
|
[OLB]B:303 |
20 |
1 |
705 |
◊ |
C |
x,y,z |
1_555 |
33 |
10 |
10297 |
213.5 |
-0.0 |
0.512 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[OLC]A:302 |
18 |
1 |
701 |
◊ |
B |
x,y,z |
1_555 |
31 |
8 |
10326 |
212.5 |
0.3 |
0.519 |
0 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[OLB]C:304 |
20 |
1 |
708 |
◊ |
A |
x,y,z |
1_555 |
27 |
8 |
10323 |
208.5 |
0.7 |
0.461 |
0 |
0 |
0 |
0.000 |
| 19 |
23 |
|
C |
28 |
8 |
10297 |
◊ |
A |
-x+3,y,-z+3 |
2_858 |
19 |
8 |
10323 |
188.2 |
-2.2 |
0.768 |
1 |
1 |
0 |
0.000 |
| 20 |
24 |
|
A |
21 |
6 |
10323 |
◊ |
A |
-x+2,y,-z+2 |
2_757 |
20 |
6 |
10323 |
175.7 |
-1.3 |
0.835 |
2 |
0 |
0 |
0.000 |
25 |
|
B |
22 |
7 |
10326 |
◊ |
C |
-x+5/2,y-1/2,-z+2 |
4_747 |
19 |
6 |
10297 |
173.6 |
-0.9 |
0.860 |
2 |
0 |
0 |
0.000 |
| Average: |
174.6 |
-1.1 |
0.848 |
2 |
0 |
0 |
0.000 |
| 21 |
26 |
|
A |
12 |
4 |
10323 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
11 |
4 |
10326 |
141.3 |
0.7 |
0.794 |
2 |
3 |
0 |
0.000 |
27 |
|
A |
11 |
4 |
10323 |
◊ |
C |
x-1/2,y-1/2,z |
3_445 |
13 |
4 |
10297 |
123.8 |
-0.1 |
0.772 |
1 |
3 |
0 |
0.000 |
28 |
|
B |
9 |
3 |
10326 |
◊ |
C |
x,y-1,z |
1_545 |
13 |
3 |
10297 |
100.3 |
-1.0 |
0.639 |
0 |
0 |
0 |
0.000 |
| Average: |
121.8 |
-0.1 |
0.735 |
1 |
2 |
0 |
0.000 |
| 22 |
29 |
|
C |
16 |
5 |
10297 |
◊ |
C |
-x+3,y,-z+3 |
2_858 |
16 |
5 |
10297 |
125.2 |
0.9 |
0.948 |
2 |
0 |
0 |
0.000 |
| 23 |
30 |
|
B |
15 |
4 |
10326 |
◊ |
A |
-x+5/2,y-1/2,-z+3 |
4_748 |
19 |
7 |
10323 |
118.2 |
-0.4 |
0.882 |
0 |
0 |
0 |
0.000 |
| 24 |
31 |
|
C |
14 |
5 |
10297 |
◊ |
B |
-x+3,y,-z+3 |
2_858 |
14 |
5 |
10326 |
106.8 |
-0.3 |
0.858 |
1 |
0 |
0 |
0.000 |
| 25 |
32 |
|
[OLB]A:305 |
12 |
1 |
712 |
◊ |
[OLB]A:303 |
x,y,z |
1_555 |
12 |
1 |
701 |
93.2 |
1.4 |
0.425 |
1 |
0 |
0 |
0.000 |
| 26 |
33 |
|
B |
6 |
3 |
10326 |
◊ |
B |
-x+3,y,-z+3 |
2_858 |
6 |
3 |
10326 |
76.6 |
-1.2 |
0.459 |
0 |
0 |
0 |
0.000 |
| 27 |
34 |
|
[OLB]A:306 |
6 |
1 |
705 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
10323 |
52.7 |
-1.7 |
0.273 |
0 |
0 |
0 |
0.020 |
| 28 |
35 |
|
[OLB]A:306 |
5 |
1 |
705 |
f |
[OLB]A:305 |
x,y,z |
1_555 |
7 |
1 |
712 |
41.3 |
-0.2 |
0.364 |
0 |
0 |
0 |
0.002 |
| 29 |
36 |
|
[OLB]C:302 |
5 |
1 |
719 |
f |
[OLB]A:303 |
x,y,z |
1_555 |
5 |
1 |
701 |
40.7 |
-0.7 |
0.340 |
0 |
0 |
0 |
0.008 |
| 30 |
37 |
|
[OLB]A:306 |
4 |
1 |
705 |
◊ |
[OLC]C:303 |
x,y,z |
1_555 |
4 |
1 |
723 |
38.8 |
2.6 |
0.681 |
0 |
0 |
0 |
0.000 |
| 31 |
38 |
|
[OLB]A:303 |
2 |
1 |
701 |
f |
C |
x,y,z |
1_555 |
4 |
1 |
10297 |
32.8 |
-1.1 |
0.336 |
0 |
0 |
0 |
0.012 |
| 32 |
39 |
|
[OLB]A:303 |
4 |
1 |
701 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
10326 |
10.9 |
0.2 |
0.610 |
0 |
0 |
0 |
0.000 |
| 33 |
40 |
|
B |
1 |
1 |
10326 |
◊ |
[OLC]A:304 |
x,y-1,z |
1_545 |
1 |
1 |
699 |
8.3 |
0.2 |
0.656 |
0 |
0 |
0 |
0.000 |
| 34 |
41 |
|
[OLB]A:306 |
2 |
1 |
705 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
10297 |
8.2 |
-0.1 |
0.547 |
0 |
0 |
0 |
0.002 |
|