| ## |
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 |
|
A |
80 |
23 |
16587 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
78 |
21 |
16398 |
830.3 |
-0.6 |
0.749 |
4 |
0 |
0 |
0.000 |
| 2 |
2 |
|
B |
60 |
17 |
16398 |
◊ |
A |
x,y,z |
1_555 |
59 |
17 |
16587 |
566.2 |
-3.1 |
0.541 |
4 |
2 |
0 |
0.000 |
| 3 |
3 |
|
A |
58 |
20 |
16587 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
55 |
16 |
16587 |
495.9 |
-5.6 |
0.327 |
3 |
2 |
0 |
0.000 |
4 |
|
B |
58 |
16 |
16398 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
54 |
19 |
16398 |
485.9 |
-6.0 |
0.302 |
2 |
3 |
0 |
0.000 |
| Average: |
490.9 |
-5.8 |
0.315 |
3 |
3 |
0 |
0.000 |
| 4 |
5 |
|
[ADP]A:1501 |
27 |
1 |
540 |
f |
A |
x,y,z |
1_555 |
60 |
24 |
16587 |
390.3 |
-7.3 |
0.457 |
5 |
0 |
0 |
0.023 |
6 |
|
[ADP]B:1501 |
27 |
1 |
541 |
f |
B |
x,y,z |
1_555 |
59 |
24 |
16398 |
389.1 |
-7.2 |
0.452 |
5 |
0 |
0 |
0.023 |
| Average: |
389.7 |
-7.3 |
0.454 |
5 |
0 |
0 |
0.023 |
| 5 |
7 |
|
A |
25 |
6 |
16587 |
◊ |
B |
x,y-1,z |
1_545 |
31 |
7 |
16398 |
241.3 |
0.4 |
0.688 |
1 |
0 |
0 |
0.000 |
| 6 |
8 |
|
A |
25 |
10 |
16587 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
24 |
8 |
16398 |
223.2 |
-1.7 |
0.485 |
1 |
0 |
0 |
0.000 |
| 7 |
9 |
|
B |
19 |
7 |
16398 |
x |
B |
x,y-1,z |
1_545 |
21 |
8 |
16398 |
152.8 |
1.9 |
0.827 |
0 |
0 |
0 |
0.000 |
10 |
|
A |
25 |
9 |
16587 |
x |
A |
x,y-1,z |
1_545 |
14 |
6 |
16587 |
147.5 |
3.3 |
0.907 |
0 |
2 |
0 |
0.000 |
| Average: |
150.1 |
2.6 |
0.867 |
0 |
1 |
0 |
0.000 |
| 8 |
11 |
|
[CL]B:1505 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
21 |
7 |
16398 |
78.6 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.023 |
12 |
|
[CL]A:1504 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
16587 |
70.7 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
74.6 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.023 |
| 9 |
13 |
|
[CL]B:1504 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
16398 |
70.8 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.020 |
| 10 |
14 |
|
[MG]A:1503 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
16587 |
48.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.015 |
15 |
|
[MG]B:1503 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
16398 |
47.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
48.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.015 |
| 11 |
16 |
|
[MG]B:1502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
16398 |
43.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.013 |
17 |
|
[MG]A:1502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
16587 |
42.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.013 |
| Average: |
43.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.013 |
| 12 |
18 |
|
[MG]B:1502 |
1 |
1 |
98 |
f |
[ADP]B:1501 |
x,y,z |
1_555 |
6 |
1 |
541 |
31.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.012 |
19 |
|
[MG]A:1502 |
1 |
1 |
98 |
f |
[ADP]A:1501 |
x,y,z |
1_555 |
7 |
1 |
540 |
30.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
30.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.012 |
| 13 |
20 |
|
[MG]B:1503 |
1 |
1 |
98 |
f |
[ADP]B:1501 |
x,y,z |
1_555 |
5 |
1 |
541 |
28.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.010 |
21 |
|
[MG]A:1503 |
1 |
1 |
98 |
f |
[ADP]A:1501 |
x,y,z |
1_555 |
5 |
1 |
540 |
27.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.010 |
| Average: |
28.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.010 |
| 14 |
22 |
|
[MG]B:1503 |
1 |
1 |
98 |
f |
[MG]B:1502 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.004 |
| 15 |
23 |
|
[MG]A:1503 |
1 |
1 |
98 |
f |
[MG]A:1502 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.005 |
|