## |
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 |
56 |
16 |
12678 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
49 |
17 |
12794 |
526.1 |
-3.9 |
0.481 |
2 |
2 |
0 |
0.000 |
2 |
|
A |
49 |
17 |
12678 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
54 |
14 |
12794 |
507.6 |
-3.3 |
0.539 |
2 |
1 |
0 |
0.000 |
Average: |
516.9 |
-3.6 |
0.510 |
2 |
2 |
0 |
0.000 |
2 |
3 |
|
B |
50 |
16 |
12794 |
x |
B |
x,y,z-1 |
1_554 |
56 |
14 |
12794 |
486.3 |
-4.2 |
0.297 |
5 |
6 |
0 |
0.000 |
3 |
4 |
|
B |
45 |
16 |
12794 |
◊ |
A |
x,y,z |
1_555 |
43 |
15 |
12678 |
414.9 |
-2.3 |
0.588 |
7 |
0 |
0 |
0.000 |
4 |
5 |
|
B |
47 |
17 |
12794 |
x |
B |
x-1,y,z |
1_455 |
39 |
14 |
12794 |
413.4 |
-4.4 |
0.318 |
2 |
0 |
0 |
0.000 |
6 |
|
A |
37 |
12 |
12678 |
x |
A |
x-1,y,z |
1_455 |
45 |
16 |
12678 |
393.9 |
-4.8 |
0.263 |
2 |
0 |
0 |
0.000 |
Average: |
403.7 |
-4.6 |
0.290 |
2 |
0 |
0 |
0.000 |
5 |
7 |
|
A |
51 |
14 |
12678 |
x |
A |
x,y,z-1 |
1_554 |
51 |
13 |
12678 |
412.1 |
-5.3 |
0.333 |
2 |
2 |
0 |
0.000 |
6 |
8 |
|
[PG4]B:411 |
13 |
1 |
401 |
◊ |
B |
x,y,z |
1_555 |
33 |
8 |
12794 |
215.0 |
5.6 |
0.441 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
[PG4]A:407 |
10 |
1 |
330 |
◊ |
A |
x,y,z |
1_555 |
31 |
7 |
12678 |
188.9 |
5.5 |
0.410 |
2 |
0 |
0 |
0.000 |
8 |
10 |
|
A |
20 |
7 |
12678 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
24 |
9 |
12794 |
160.1 |
-0.3 |
0.689 |
1 |
0 |
0 |
0.000 |
9 |
11 |
|
[CL]B:409 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
12794 |
75.5 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.011 |
10 |
12 |
|
[CL]A:406 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
12678 |
73.8 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.021 |
13 |
|
[CL]B:406 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
12794 |
68.2 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.021 |
Average: |
71.0 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.021 |
11 |
14 |
|
[CL]B:405 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
12794 |
69.2 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.014 |
12 |
15 |
|
[CL]B:408 |
1 |
1 |
125 |
f |
B |
x,y,z-1 |
1_554 |
10 |
5 |
12794 |
68.0 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.012 |
13 |
16 |
|
[CL]A:404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
12678 |
60.5 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.034 |
17 |
|
[CL]A:405 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
12678 |
56.8 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.034 |
18 |
|
[CL]B:407 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
12794 |
56.0 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.034 |
19 |
|
[CL]B:410 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
12794 |
52.2 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.034 |
Average: |
56.4 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.034 |
14 |
20 |
|
[CL]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
12678 |
53.0 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.013 |
15 |
21 |
|
A |
4 |
2 |
12678 |
f |
[CL]B:404 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
125 |
48.8 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.012 |
16 |
22 |
|
[CL]A:403 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
12678 |
46.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
|
[CL]A:403 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
12794 |
45.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
46.1 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.000 |
17 |
24 |
|
[MG]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
12794 |
46.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.009 |
25 |
|
[MG]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
12678 |
45.0 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
45.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.009 |
18 |
26 |
|
[CL]A:402 |
1 |
1 |
125 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
5 |
12794 |
46.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
[PG4]B:411 |
5 |
1 |
401 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
12678 |
39.6 |
0.9 |
0.360 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
12794 |
34.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.004 |
21 |
29 |
|
[CL]B:404 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
12794 |
33.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
12794 |
32.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.004 |
23 |
31 |
|
[CL]A:405 |
1 |
1 |
125 |
f |
[CL]A:404 |
x,y,z |
1_555 |
1 |
1 |
125 |
31.1 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.011 |
24 |
32 |
|
[CL]B:410 |
1 |
1 |
125 |
f |
[CL]B:407 |
x,y,z |
1_555 |
1 |
1 |
125 |
28.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.007 |
25 |
33 |
|
[MG]B:403 |
1 |
1 |
98 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
3 |
12794 |
28.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
[PG4]A:407 |
3 |
1 |
330 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
12794 |
26.5 |
1.1 |
0.371 |
0 |
0 |
0 |
0.000 |
27 |
35 |
|
[CL]B:410 |
1 |
1 |
125 |
f |
[CL]B:409 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.003 |
28 |
36 |
|
[MG]A:401 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
12794 |
13.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
|
[MG]B:401 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
12678 |
12.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
13.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
38 |
|
[CL]B:409 |
1 |
1 |
125 |
f |
[CL]B:407 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.003 |
30 |
39 |
|
[CL]A:406 |
1 |
1 |
125 |
f |
[CL]A:405 |
x,y,z |
1_555 |
1 |
1 |
125 |
5.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.002 |
31 |
40 |
|
[CL]B:410 |
1 |
1 |
125 |
f |
[CL]B:406 |
x,y,z |
1_555 |
1 |
1 |
125 |
4.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.001 |
32 |
41 |
|
[CL]B:408 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12794 |
3.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
|