| ## |
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 |
100 |
27 |
11645 |
◊ |
A |
x,y,z |
1_555 |
45 |
7 |
1628 |
638.7 |
-4.5 |
0.405 |
9 |
6 |
0 |
0.109 |
| 2 |
2 |
|
B |
55 |
15 |
11645 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
48 |
11 |
11562 |
550.9 |
-3.5 |
0.369 |
10 |
2 |
0 |
0.009 |
| 3 |
3 |
|
C |
35 |
5 |
1126 |
◊ |
D |
x,y,z |
1_555 |
79 |
20 |
11562 |
527.8 |
-5.1 |
0.409 |
8 |
6 |
0 |
0.215 |
| 4 |
4 |
|
B |
43 |
10 |
11645 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
48 |
15 |
11562 |
437.1 |
-4.6 |
0.190 |
2 |
0 |
0 |
0.060 |
| 5 |
5 |
|
B |
52 |
15 |
11645 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
46 |
12 |
11562 |
423.7 |
-4.9 |
0.176 |
4 |
0 |
0 |
0.008 |
| 6 |
6 |
|
B |
46 |
11 |
11645 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
43 |
10 |
11562 |
397.8 |
-2.6 |
0.302 |
5 |
0 |
0 |
0.000 |
| 7 |
7 |
|
D |
33 |
9 |
11562 |
◊ |
B |
x,y,z |
1_555 |
30 |
9 |
11645 |
323.4 |
4.9 |
0.932 |
9 |
10 |
0 |
0.008 |
| 8 |
8 |
|
D |
33 |
11 |
11562 |
◊ |
B |
x-1,y,z |
1_455 |
30 |
10 |
11645 |
301.2 |
-4.2 |
0.196 |
4 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[MPD]D:301 |
7 |
1 |
274 |
f |
D |
x,y,z |
1_555 |
39 |
9 |
11562 |
178.9 |
-13.4 |
0.503 |
0 |
0 |
0 |
0.303 |
| 10 |
10 |
|
[MRD]B:301 |
7 |
1 |
277 |
◊ |
B |
x,y,z |
1_555 |
42 |
9 |
11645 |
173.4 |
2.6 |
0.453 |
0 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[MPD]B:302 |
7 |
1 |
274 |
f |
B |
x,y,z |
1_555 |
30 |
11 |
11645 |
166.3 |
-11.7 |
0.534 |
3 |
0 |
0 |
0.164 |
| 12 |
12 |
|
[MPD]D:302 |
7 |
1 |
273 |
f |
D |
x,y,z |
1_555 |
27 |
12 |
11562 |
165.6 |
-11.7 |
0.531 |
2 |
0 |
0 |
0.284 |
| 13 |
13 |
|
A |
11 |
4 |
1628 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
13 |
6 |
11562 |
104.0 |
1.3 |
0.747 |
2 |
4 |
0 |
0.002 |
| 14 |
14 |
|
[CL]B:304 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
11645 |
72.9 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.227 |
15 |
|
[CL]D:303 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
11562 |
70.4 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.227 |
| Average: |
71.6 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.227 |
| 15 |
16 |
|
[CL]D:304 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
12 |
6 |
11562 |
54.6 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.067 |
| 16 |
17 |
|
B |
8 |
4 |
11645 |
f |
[CL]D:304 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
125 |
48.2 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.078 |
| 17 |
18 |
|
B |
4 |
2 |
11645 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
6 |
2 |
1126 |
46.3 |
-0.3 |
0.557 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[MRD]B:301 |
4 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
1628 |
39.0 |
0.8 |
0.407 |
1 |
0 |
0 |
0.000 |
| 19 |
20 |
|
[MG]B:303 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
11645 |
37.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.089 |
21 |
|
[MG]B:303 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
11 |
3 |
11562 |
32.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.089 |
| Average: |
35.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.089 |
| 20 |
22 |
|
[CL]D:303 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
11645 |
28.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.052 |
23 |
|
[CL]B:304 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
11562 |
20.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.052 |
| Average: |
24.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.052 |
| 21 |
24 |
|
[CL]D:303 |
1 |
1 |
125 |
◊ |
[MG]B:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.029 |
| 22 |
25 |
|
[CL]B:304 |
1 |
1 |
125 |
◊ |
[MG]B:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.027 |
| 23 |
26 |
|
B |
3 |
1 |
11645 |
◊ |
[MPD]D:301 |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
274 |
9.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
|