| ## |
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 |
90 |
22 |
8615 |
◊ |
A |
x,y,z |
1_555 |
79 |
21 |
8613 |
736.4 |
-4.4 |
0.387 |
11 |
0 |
0 |
0.000 |
2 |
|
B |
76 |
20 |
8518 |
◊ |
A |
x,y,z |
1_555 |
86 |
23 |
8613 |
728.9 |
-2.9 |
0.481 |
13 |
0 |
0 |
0.000 |
| Average: |
732.6 |
-3.7 |
0.434 |
12 |
0 |
0 |
0.000 |
| 2 |
3 |
|
C |
71 |
14 |
8615 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
80 |
20 |
8518 |
678.6 |
-3.8 |
0.359 |
7 |
0 |
0 |
0.000 |
| 3 |
4 |
|
C |
58 |
15 |
8615 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
56 |
13 |
8613 |
532.1 |
-0.5 |
0.619 |
7 |
2 |
0 |
0.000 |
| 4 |
5 |
|
C |
54 |
13 |
8615 |
◊ |
A |
-x,y,-z |
2_555 |
50 |
12 |
8613 |
469.8 |
-3.8 |
0.291 |
5 |
2 |
0 |
0.000 |
| 5 |
6 |
|
C |
48 |
13 |
8615 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
47 |
13 |
8518 |
380.7 |
-2.9 |
0.353 |
3 |
2 |
0 |
0.000 |
| 6 |
7 |
|
[ADP]A:560 |
25 |
1 |
565 |
f |
A |
x,y,z |
1_555 |
43 |
13 |
8613 |
323.6 |
-3.7 |
0.711 |
11 |
0 |
0 |
0.031 |
8 |
|
[ADP]B:660 |
25 |
1 |
555 |
f |
B |
x,y,z |
1_555 |
42 |
13 |
8518 |
315.0 |
-3.4 |
0.692 |
10 |
0 |
0 |
0.031 |
9 |
|
[ADP]C:760 |
26 |
1 |
563 |
f |
C |
x,y,z |
1_555 |
43 |
14 |
8615 |
313.2 |
-4.3 |
0.668 |
14 |
0 |
0 |
0.031 |
| Average: |
317.3 |
-3.8 |
0.690 |
12 |
0 |
0 |
0.031 |
| 7 |
10 |
|
B |
37 |
9 |
8518 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
37 |
9 |
8518 |
296.0 |
-0.3 |
0.563 |
4 |
0 |
0 |
0.000 |
| 8 |
11 |
|
C |
33 |
10 |
8615 |
◊ |
B |
x-1,y,z |
1_455 |
29 |
8 |
8518 |
279.6 |
-1.4 |
0.443 |
5 |
3 |
0 |
0.000 |
| 9 |
12 |
|
B |
23 |
7 |
8518 |
x |
B |
-x+3/2,y-1/2,-z+1 |
4_646 |
22 |
5 |
8518 |
201.9 |
1.9 |
0.789 |
2 |
4 |
0 |
0.000 |
| 10 |
13 |
|
A |
10 |
4 |
8613 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
10 |
2 |
8518 |
101.7 |
-0.8 |
0.373 |
1 |
0 |
0 |
0.000 |
| 11 |
14 |
|
A |
9 |
4 |
8613 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
11 |
4 |
8613 |
72.3 |
0.7 |
0.746 |
2 |
1 |
0 |
0.000 |
| 12 |
15 |
|
[ACT]A:570 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
8613 |
70.5 |
-0.5 |
0.603 |
1 |
0 |
0 |
0.002 |
| 13 |
16 |
|
[NA]C:763 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
8615 |
63.0 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.039 |
17 |
|
[NA]A:563 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
8613 |
62.7 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.039 |
18 |
|
[NA]B:663 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
8518 |
62.7 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.039 |
| Average: |
62.8 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.039 |
| 14 |
19 |
|
[MG]A:562 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
8613 |
58.5 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.017 |
| 15 |
20 |
|
[MG]B:661 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
8518 |
43.8 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.020 |
21 |
|
[MG]A:561 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
8613 |
43.5 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.020 |
22 |
|
[MG]C:761 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
8615 |
42.7 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.020 |
| Average: |
43.3 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.020 |
| 16 |
23 |
|
[ADP]A:560 |
4 |
1 |
565 |
f |
[MG]A:561 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.016 |
24 |
|
[ADP]B:660 |
4 |
1 |
555 |
f |
[MG]B:661 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.016 |
25 |
|
[ADP]C:760 |
4 |
1 |
563 |
f |
[MG]C:761 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.016 |
| Average: |
31.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.016 |
| 17 |
26 |
|
C |
4 |
1 |
8615 |
◊ |
[ADP]B:660 |
x-1,y,z |
1_455 |
5 |
1 |
555 |
24.5 |
-0.1 |
0.713 |
0 |
0 |
0 |
0.000 |
| 18 |
27 |
|
[ADP]C:760 |
6 |
1 |
563 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
4 |
2 |
8518 |
19.3 |
0.2 |
0.737 |
0 |
0 |
0 |
0.000 |
| 19 |
28 |
|
C |
1 |
1 |
8615 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
8518 |
17.6 |
0.5 |
0.820 |
0 |
0 |
0 |
0.000 |
| 20 |
29 |
|
C |
1 |
1 |
8615 |
◊ |
C |
-x,y,-z+1 |
2_556 |
1 |
1 |
8615 |
12.5 |
0.3 |
0.832 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
A |
2 |
2 |
8613 |
◊ |
A |
-x+1,y,-z |
2_655 |
2 |
2 |
8613 |
8.5 |
-0.5 |
0.285 |
0 |
0 |
0 |
0.000 |
| 22 |
31 |
|
C |
2 |
2 |
8615 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
8613 |
3.2 |
0.1 |
0.733 |
0 |
0 |
0 |
0.000 |
|