| ## |
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 |
206 |
60 |
22554 |
◊ |
A |
x,y,z |
1_555 |
210 |
57 |
22423 |
2001.6 |
-2.4 |
0.531 |
29 |
4 |
0 |
0.222 |
2 |
|
D |
216 |
60 |
22521 |
◊ |
B |
x,y,z |
1_555 |
212 |
57 |
22547 |
1932.3 |
-4.0 |
0.469 |
29 |
4 |
0 |
0.222 |
| Average: |
1966.9 |
-3.2 |
0.500 |
29 |
4 |
0 |
0.222 |
| 2 |
3 |
|
D |
193 |
49 |
22521 |
◊ |
A |
x,y,z |
1_555 |
196 |
52 |
22423 |
1757.9 |
-9.7 |
0.217 |
24 |
0 |
0 |
0.258 |
4 |
|
C |
188 |
50 |
22554 |
◊ |
B |
x,y,z |
1_555 |
190 |
49 |
22547 |
1745.8 |
-10.0 |
0.211 |
24 |
0 |
0 |
0.258 |
| Average: |
1751.8 |
-9.8 |
0.214 |
24 |
0 |
0 |
0.258 |
| 3 |
5 |
|
D |
51 |
14 |
22521 |
◊ |
C |
x,y,z |
1_555 |
46 |
12 |
22554 |
432.3 |
-1.1 |
0.456 |
3 |
4 |
0 |
0.036 |
6 |
|
B |
48 |
13 |
22547 |
◊ |
A |
x,y,z |
1_555 |
50 |
14 |
22423 |
429.9 |
-1.3 |
0.461 |
5 |
6 |
0 |
0.036 |
| Average: |
431.1 |
-1.2 |
0.459 |
4 |
5 |
0 |
0.036 |
| 4 |
7 |
|
D |
46 |
13 |
22521 |
x |
D |
-x+1,y-1/2,-z |
2_645 |
38 |
12 |
22521 |
426.8 |
-2.6 |
0.268 |
4 |
0 |
0 |
0.000 |
| 5 |
8 |
|
[DCP]B:701 |
28 |
1 |
578 |
f |
B |
x,y,z |
1_555 |
57 |
22 |
22547 |
393.1 |
-0.1 |
0.608 |
11 |
0 |
0 |
0.141 |
9 |
|
[DCP]D:703 |
28 |
1 |
577 |
f |
D |
x,y,z |
1_555 |
55 |
21 |
22521 |
387.7 |
-0.8 |
0.598 |
12 |
0 |
0 |
0.141 |
10 |
|
[DCP]C:703 |
28 |
1 |
582 |
f |
C |
x,y,z |
1_555 |
55 |
21 |
22554 |
387.5 |
-1.6 |
0.509 |
9 |
0 |
0 |
0.141 |
11 |
|
[DCP]A:701 |
27 |
1 |
577 |
f |
A |
x,y,z |
1_555 |
55 |
21 |
22423 |
385.4 |
-0.6 |
0.587 |
10 |
0 |
0 |
0.141 |
| Average: |
388.4 |
-0.8 |
0.575 |
11 |
0 |
0 |
0.141 |
| 6 |
12 |
|
B |
41 |
12 |
22547 |
◊ |
A |
x,y,z-1 |
1_554 |
44 |
12 |
22423 |
359.1 |
0.2 |
0.561 |
4 |
6 |
0 |
0.000 |
| 7 |
13 |
|
C |
32 |
10 |
22554 |
◊ |
D |
x-1,y,z-1 |
1_454 |
37 |
14 |
22521 |
287.1 |
1.3 |
0.703 |
2 |
0 |
0 |
0.000 |
| 8 |
14 |
|
[DGT]A:703 |
25 |
1 |
584 |
f |
A |
x,y,z |
1_555 |
32 |
13 |
22423 |
220.0 |
-0.5 |
0.410 |
4 |
0 |
0 |
0.063 |
15 |
|
[DGT]B:703 |
25 |
1 |
582 |
f |
B |
x,y,z |
1_555 |
33 |
13 |
22547 |
217.8 |
-0.2 |
0.434 |
5 |
0 |
0 |
0.063 |
16 |
|
[DGT]B:704 |
25 |
1 |
584 |
f |
C |
x,y,z |
1_555 |
34 |
13 |
22554 |
217.8 |
-0.1 |
0.431 |
5 |
0 |
0 |
0.063 |
17 |
|
[DGT]D:705 |
25 |
1 |
583 |
f |
D |
x,y,z |
1_555 |
32 |
12 |
22521 |
216.2 |
-0.3 |
0.408 |
5 |
0 |
0 |
0.063 |
| Average: |
218.0 |
-0.3 |
0.421 |
5 |
0 |
0 |
0.063 |
| 9 |
18 |
|
C |
27 |
9 |
22554 |
◊ |
B |
x-1,y,z |
1_455 |
21 |
8 |
22547 |
218.3 |
0.9 |
0.588 |
2 |
0 |
0 |
0.000 |
| 10 |
19 |
|
[DGT]B:704 |
21 |
1 |
584 |
◊ |
B |
x,y,z |
1_555 |
25 |
10 |
22547 |
203.3 |
3.1 |
0.688 |
7 |
0 |
0 |
0.012 |
20 |
|
[DGT]B:703 |
21 |
1 |
582 |
◊ |
C |
x,y,z |
1_555 |
25 |
10 |
22554 |
202.2 |
3.1 |
0.706 |
8 |
0 |
0 |
0.012 |
21 |
|
[DGT]D:705 |
21 |
1 |
583 |
◊ |
A |
x,y,z |
1_555 |
25 |
9 |
22423 |
202.2 |
3.1 |
0.689 |
8 |
0 |
0 |
0.012 |
22 |
|
[DGT]A:703 |
21 |
1 |
584 |
◊ |
D |
x,y,z |
1_555 |
24 |
9 |
22521 |
201.4 |
3.0 |
0.696 |
8 |
0 |
0 |
0.012 |
| Average: |
202.3 |
3.1 |
0.695 |
8 |
0 |
0 |
0.012 |
| 11 |
23 |
|
[DGT]A:704 |
26 |
1 |
621 |
f |
C |
x,y,z |
1_555 |
27 |
11 |
22554 |
192.9 |
0.4 |
0.522 |
4 |
0 |
0 |
0.067 |
24 |
|
[DGT]B:705 |
25 |
1 |
621 |
f |
D |
x,y,z |
1_555 |
25 |
10 |
22521 |
192.2 |
0.1 |
0.501 |
5 |
0 |
0 |
0.067 |
25 |
|
[DGT]D:702 |
26 |
1 |
618 |
f |
B |
x,y,z |
1_555 |
26 |
10 |
22547 |
191.8 |
0.1 |
0.493 |
6 |
0 |
0 |
0.067 |
26 |
|
[DGT]C:701 |
24 |
1 |
617 |
f |
A |
x,y,z |
1_555 |
26 |
10 |
22423 |
191.2 |
-0.7 |
0.375 |
6 |
0 |
0 |
0.067 |
| Average: |
192.0 |
-0.0 |
0.473 |
5 |
0 |
0 |
0.067 |
| 12 |
27 |
|
[DGT]C:701 |
22 |
1 |
617 |
◊ |
C |
x,y,z |
1_555 |
21 |
8 |
22554 |
184.8 |
1.6 |
0.637 |
7 |
0 |
0 |
0.041 |
28 |
|
[DGT]A:704 |
22 |
1 |
621 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
22423 |
183.2 |
2.1 |
0.649 |
8 |
0 |
0 |
0.041 |
29 |
|
[DGT]D:702 |
22 |
1 |
618 |
◊ |
D |
x,y,z |
1_555 |
22 |
8 |
22521 |
182.8 |
2.1 |
0.650 |
8 |
0 |
0 |
0.041 |
30 |
|
[DGT]B:705 |
22 |
1 |
621 |
◊ |
B |
x,y,z |
1_555 |
22 |
8 |
22547 |
182.2 |
2.2 |
0.666 |
9 |
0 |
0 |
0.041 |
| Average: |
183.2 |
2.0 |
0.650 |
8 |
0 |
0 |
0.041 |
| 13 |
31 |
|
C |
21 |
7 |
22554 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
20 |
6 |
22423 |
133.4 |
-0.3 |
0.532 |
0 |
0 |
0 |
0.000 |
| 14 |
32 |
|
[DGT]D:702 |
14 |
1 |
618 |
◊ |
C |
x,y,z |
1_555 |
18 |
5 |
22554 |
109.8 |
0.4 |
0.511 |
1 |
0 |
0 |
0.002 |
33 |
|
[DGT]A:704 |
14 |
1 |
621 |
◊ |
B |
x,y,z |
1_555 |
19 |
5 |
22547 |
109.4 |
0.3 |
0.501 |
1 |
0 |
0 |
0.002 |
34 |
|
[DGT]C:701 |
14 |
1 |
617 |
◊ |
D |
x,y,z |
1_555 |
17 |
5 |
22521 |
108.8 |
0.4 |
0.512 |
1 |
0 |
0 |
0.002 |
35 |
|
[DGT]B:705 |
14 |
1 |
621 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
22423 |
108.0 |
0.5 |
0.513 |
1 |
0 |
0 |
0.002 |
| Average: |
109.0 |
0.4 |
0.509 |
1 |
0 |
0 |
0.002 |
| 15 |
36 |
|
A |
16 |
5 |
22423 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
3 |
22547 |
106.6 |
-0.1 |
0.554 |
0 |
0 |
0 |
0.000 |
| 16 |
37 |
|
[DGT]B:705 |
12 |
1 |
621 |
f |
[DGT]D:705 |
x,y,z |
1_555 |
11 |
1 |
583 |
92.3 |
-0.6 |
0.358 |
0 |
0 |
0 |
0.017 |
38 |
|
[DGT]A:704 |
12 |
1 |
621 |
f |
[DGT]B:704 |
x,y,z |
1_555 |
11 |
1 |
584 |
91.5 |
-0.6 |
0.370 |
0 |
0 |
0 |
0.017 |
39 |
|
[DGT]D:702 |
12 |
1 |
618 |
f |
[DGT]B:703 |
x,y,z |
1_555 |
11 |
1 |
582 |
90.6 |
-0.7 |
0.360 |
0 |
0 |
0 |
0.017 |
40 |
|
[DGT]C:701 |
11 |
1 |
617 |
f |
[DGT]A:703 |
x,y,z |
1_555 |
12 |
1 |
584 |
90.2 |
-0.7 |
0.357 |
0 |
0 |
0 |
0.017 |
| Average: |
91.2 |
-0.7 |
0.361 |
0 |
0 |
0 |
0.017 |
| 17 |
41 |
|
A |
9 |
4 |
22423 |
◊ |
D |
x-1,y,z |
1_455 |
11 |
3 |
22521 |
81.3 |
-0.0 |
0.578 |
0 |
0 |
0 |
0.000 |
| 18 |
42 |
|
A |
6 |
3 |
22423 |
x |
A |
-x,y-1/2,-z |
2_545 |
12 |
3 |
22423 |
75.3 |
-1.3 |
0.155 |
0 |
0 |
0 |
0.000 |
| 19 |
43 |
|
[MG]B:702 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
22547 |
43.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.109 |
44 |
|
[MG]D:704 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
22521 |
42.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.109 |
45 |
|
[MG]A:702 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
22423 |
41.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.109 |
46 |
|
[MG]C:704 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
22554 |
40.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.109 |
| Average: |
42.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.109 |
| 20 |
47 |
|
C |
8 |
3 |
22554 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
8 |
4 |
22547 |
40.4 |
0.7 |
0.721 |
0 |
0 |
0 |
0.000 |
| 21 |
48 |
|
[MG]C:704 |
1 |
1 |
98 |
f |
[DCP]C:703 |
x,y,z |
1_555 |
3 |
1 |
582 |
40.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.148 |
49 |
|
[MG]A:702 |
1 |
1 |
98 |
f |
[DCP]A:701 |
x,y,z |
1_555 |
2 |
1 |
577 |
39.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.148 |
50 |
|
[MG]D:704 |
1 |
1 |
98 |
f |
[DCP]D:703 |
x,y,z |
1_555 |
2 |
1 |
577 |
38.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.148 |
51 |
|
[MG]B:702 |
1 |
1 |
98 |
f |
[DCP]B:701 |
x,y,z |
1_555 |
2 |
1 |
578 |
38.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.148 |
| Average: |
39.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.148 |
| 22 |
52 |
|
[DGT]D:705 |
5 |
1 |
583 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
22547 |
33.4 |
1.5 |
0.641 |
2 |
0 |
0 |
0.000 |
53 |
|
[DGT]A:703 |
5 |
1 |
584 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
22554 |
32.8 |
1.5 |
0.648 |
2 |
0 |
0 |
0.000 |
54 |
|
[DGT]B:703 |
5 |
1 |
582 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
22521 |
32.2 |
1.4 |
0.652 |
2 |
0 |
0 |
0.000 |
55 |
|
[DGT]B:704 |
5 |
1 |
584 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
22423 |
32.0 |
1.5 |
0.645 |
2 |
0 |
0 |
0.000 |
| Average: |
32.6 |
1.5 |
0.646 |
2 |
0 |
0 |
0.000 |
| 23 |
56 |
|
[DGT]B:703 |
5 |
1 |
582 |
f |
[MG]C:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.122 |
57 |
|
[DGT]D:705 |
5 |
1 |
583 |
f |
[MG]A:706 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.122 |
58 |
|
[DGT]B:704 |
5 |
1 |
584 |
f |
[MG]A:705 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.122 |
59 |
|
[DGT]A:703 |
5 |
1 |
584 |
f |
[MG]D:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.122 |
| Average: |
31.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.122 |
| 24 |
60 |
|
[DGT]A:704 |
4 |
1 |
621 |
f |
[MG]A:705 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.092 |
61 |
|
[DGT]D:702 |
5 |
1 |
618 |
f |
[MG]C:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.092 |
62 |
|
[DGT]C:701 |
3 |
1 |
617 |
f |
[MG]D:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.092 |
63 |
|
[DGT]B:705 |
4 |
1 |
621 |
f |
[MG]A:706 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.092 |
| Average: |
27.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.092 |
| 25 |
64 |
|
[MG]C:702 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
22554 |
15.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.015 |
65 |
|
[MG]A:706 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
22423 |
15.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.015 |
66 |
|
[MG]D:701 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
22521 |
13.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.015 |
67 |
|
[MG]A:705 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
22547 |
12.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
14.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.015 |
| 26 |
68 |
|
[MG]A:705 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
22423 |
13.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.011 |
69 |
|
[MG]D:701 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
22554 |
12.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.011 |
70 |
|
[MG]A:706 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
22547 |
12.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.011 |
71 |
|
[MG]C:702 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
22521 |
11.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
12.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.011 |
| 27 |
72 |
|
[MG]A:705 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
22554 |
5.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.014 |
73 |
|
[MG]D:701 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
22423 |
4.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.014 |
74 |
|
[MG]A:706 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
2 |
2 |
22521 |
3.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.014 |
75 |
|
[MG]C:702 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
22547 |
3.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.014 |
| Average: |
4.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.014 |
| 28 |
76 |
|
C |
2 |
1 |
22554 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
22423 |
4.1 |
0.3 |
0.798 |
0 |
0 |
0 |
0.000 |
|