## |
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 |
518 |
127 |
17876 |
◊ |
A |
x,y,z |
1_555 |
512 |
124 |
17721 |
5389.5 |
-92.7 |
0.001 |
37 |
33 |
0 |
0.672 |
2 |
|
D |
503 |
120 |
17498 |
◊ |
C |
x,y,z |
1_555 |
490 |
120 |
17489 |
5182.9 |
-86.7 |
0.001 |
41 |
37 |
0 |
0.672 |
Average: |
5286.2 |
-89.7 |
0.001 |
39 |
35 |
0 |
0.672 |
2 |
3 |
|
[NAP]C:403 |
47 |
1 |
912 |
f |
C |
x,y,z |
1_555 |
79 |
30 |
17489 |
547.8 |
-4.9 |
0.575 |
10 |
0 |
0 |
0.057 |
3 |
4 |
|
A |
56 |
18 |
17721 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
62 |
21 |
17721 |
542.8 |
-2.6 |
0.723 |
4 |
3 |
0 |
0.000 |
4 |
5 |
|
B |
55 |
14 |
17876 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
58 |
19 |
17489 |
507.2 |
-7.7 |
0.280 |
0 |
0 |
0 |
0.000 |
5 |
6 |
|
[NAP]D:403 |
31 |
1 |
638 |
f |
D |
x,y,z |
1_555 |
55 |
20 |
17498 |
402.2 |
0.2 |
0.530 |
12 |
0 |
0 |
0.031 |
6 |
7 |
|
[NAP]A:405 |
31 |
1 |
643 |
f |
A |
x,y,z |
1_555 |
55 |
20 |
17721 |
389.5 |
-0.4 |
0.524 |
6 |
0 |
0 |
0.016 |
7 |
8 |
|
B |
46 |
15 |
17876 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
38 |
16 |
17876 |
359.3 |
-0.0 |
0.791 |
2 |
3 |
0 |
0.000 |
8 |
9 |
|
D |
38 |
14 |
17498 |
◊ |
A |
x,y,z |
1_555 |
32 |
13 |
17721 |
321.4 |
0.6 |
0.825 |
1 |
1 |
0 |
0.000 |
10 |
|
C |
33 |
11 |
17489 |
◊ |
B |
x,y,z |
1_555 |
34 |
13 |
17876 |
312.2 |
1.7 |
0.889 |
3 |
3 |
0 |
0.000 |
Average: |
316.8 |
1.2 |
0.857 |
2 |
2 |
0 |
0.000 |
9 |
11 |
|
C |
32 |
9 |
17489 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
34 |
15 |
17498 |
256.6 |
-0.6 |
0.731 |
1 |
1 |
0 |
0.000 |
10 |
12 |
|
A |
29 |
7 |
17721 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
27 |
9 |
17876 |
219.2 |
-0.7 |
0.645 |
3 |
0 |
0 |
0.000 |
11 |
13 |
|
B |
27 |
7 |
17876 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
25 |
9 |
17721 |
218.9 |
-1.3 |
0.642 |
2 |
0 |
0 |
0.000 |
12 |
14 |
|
A |
21 |
7 |
17721 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
19 |
6 |
17498 |
184.5 |
-1.8 |
0.475 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
B |
22 |
7 |
17876 |
◊ |
D |
x-1,y,z |
1_455 |
17 |
6 |
17498 |
167.3 |
-1.0 |
0.585 |
3 |
0 |
0 |
0.000 |
14 |
16 |
|
D |
21 |
7 |
17498 |
x |
D |
x-1/2,-y+1/2,-z |
4_455 |
20 |
7 |
17498 |
154.2 |
-1.0 |
0.598 |
1 |
0 |
0 |
0.000 |
15 |
17 |
|
B |
17 |
7 |
17876 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
18 |
6 |
17498 |
152.1 |
0.6 |
0.777 |
2 |
2 |
0 |
0.000 |
16 |
18 |
|
A |
14 |
5 |
17721 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
21 |
9 |
17489 |
131.9 |
1.4 |
0.837 |
2 |
1 |
0 |
0.000 |
17 |
19 |
|
[EDO]A:407 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
17721 |
97.9 |
2.7 |
0.317 |
2 |
0 |
0 |
0.000 |
18 |
20 |
|
[EDO]B:408 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
17876 |
94.8 |
2.1 |
0.273 |
1 |
0 |
0 |
0.000 |
19 |
21 |
|
B |
14 |
5 |
17876 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
13 |
6 |
17498 |
91.3 |
0.5 |
0.746 |
1 |
0 |
0 |
0.000 |
20 |
22 |
|
A |
7 |
3 |
17721 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
9 |
4 |
17498 |
79.4 |
0.8 |
0.805 |
1 |
3 |
0 |
0.000 |
21 |
23 |
|
[EDO]B:406 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
17876 |
72.3 |
1.7 |
0.850 |
2 |
0 |
0 |
0.000 |
22 |
24 |
|
[NAP]C:403 |
11 |
1 |
912 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
17498 |
70.7 |
-1.0 |
0.508 |
0 |
0 |
0 |
0.006 |
23 |
25 |
|
[EDO]B:407 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
17876 |
62.5 |
1.7 |
0.904 |
2 |
0 |
0 |
0.000 |
24 |
26 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
17876 |
57.8 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.038 |
25 |
27 |
|
A |
7 |
1 |
17721 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
8 |
3 |
17498 |
54.4 |
-0.5 |
0.550 |
1 |
0 |
0 |
0.000 |
26 |
28 |
|
B |
6 |
3 |
17876 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
4 |
17489 |
54.1 |
0.4 |
0.748 |
0 |
0 |
0 |
0.000 |
27 |
29 |
|
[EDO]B:407 |
3 |
1 |
186 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
8 |
4 |
17498 |
52.7 |
1.6 |
0.861 |
0 |
0 |
0 |
0.000 |
28 |
30 |
|
[MG]A:404 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
17721 |
51.5 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.063 |
31 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
17876 |
48.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.063 |
Average: |
49.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.063 |
29 |
32 |
|
[MG]B:405 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
17876 |
48.7 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.090 |
33 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
5 |
17721 |
47.3 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.090 |
Average: |
48.0 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.090 |
30 |
34 |
|
[MG]D:402 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
17498 |
48.4 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.067 |
35 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
17876 |
46.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.067 |
36 |
|
[MG]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
17721 |
41.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.067 |
37 |
|
[MG]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
17489 |
36.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.067 |
Average: |
43.3 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.067 |
31 |
38 |
|
[MG]B:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
17721 |
43.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.063 |
39 |
|
[MG]C:402 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
17498 |
42.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.063 |
40 |
|
[MG]D:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
17489 |
42.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.063 |
41 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
17876 |
41.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.063 |
Average: |
42.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.063 |
32 |
42 |
|
B |
6 |
4 |
17876 |
f |
[EDO]B:406 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
185 |
42.9 |
1.3 |
0.886 |
1 |
0 |
0 |
0.000 |
33 |
43 |
|
A |
8 |
4 |
17721 |
◊ |
[EDO]B:406 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
185 |
37.7 |
1.0 |
0.804 |
0 |
0 |
0 |
0.000 |
34 |
44 |
|
A |
4 |
2 |
17721 |
f |
[EDO]A:406 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
184 |
35.8 |
1.1 |
0.899 |
2 |
0 |
0 |
0.000 |
35 |
45 |
|
[MG]C:402 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
17489 |
35.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.047 |
46 |
|
[MG]B:401 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
17876 |
34.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.047 |
47 |
|
[MG]D:401 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
17498 |
32.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.047 |
48 |
|
[MG]A:402 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
17721 |
30.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.047 |
Average: |
33.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.047 |
36 |
49 |
|
[EDO]A:406 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
17721 |
34.1 |
0.9 |
0.775 |
0 |
0 |
0 |
0.000 |
37 |
50 |
|
B |
4 |
1 |
17876 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
5 |
1 |
17489 |
27.8 |
-0.3 |
0.546 |
0 |
0 |
0 |
0.000 |
38 |
51 |
|
[EDO]B:407 |
2 |
1 |
186 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
17498 |
26.6 |
0.9 |
0.960 |
0 |
0 |
0 |
0.000 |
39 |
52 |
|
[NAP]A:405 |
3 |
1 |
643 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
17876 |
25.8 |
-0.0 |
0.423 |
0 |
0 |
0 |
0.000 |
40 |
53 |
|
[MG]D:402 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
17489 |
24.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.029 |
54 |
|
[MG]B:402 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
17721 |
21.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.029 |
55 |
|
[MG]A:401 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
17876 |
18.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.029 |
56 |
|
[MG]C:401 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
17498 |
18.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.029 |
Average: |
20.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.029 |
41 |
57 |
|
[NAP]C:403 |
6 |
1 |
912 |
f |
[MG]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.020 |
42 |
58 |
|
A |
4 |
3 |
17721 |
◊ |
C |
x,y-1,z |
1_545 |
3 |
2 |
17489 |
20.2 |
0.2 |
0.700 |
0 |
0 |
0 |
0.000 |
43 |
59 |
|
B |
3 |
1 |
17876 |
◊ |
[MG]A:403 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
98 |
16.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
60 |
|
A |
1 |
1 |
17721 |
◊ |
[MG]B:405 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
98 |
6.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
11.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
61 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
[MG]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.012 |
45 |
62 |
|
D |
2 |
1 |
17498 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
2 |
17489 |
10.6 |
0.1 |
0.683 |
0 |
0 |
0 |
0.000 |
46 |
63 |
|
A |
4 |
2 |
17721 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
2 |
17489 |
10.3 |
0.1 |
0.696 |
0 |
0 |
0 |
0.000 |
47 |
64 |
|
C |
1 |
1 |
17489 |
x |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
17489 |
10.2 |
-0.2 |
0.406 |
0 |
0 |
0 |
0.000 |
48 |
65 |
|
[MG]A:404 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
17876 |
9.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.008 |
66 |
|
[MG]B:404 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
17721 |
8.4 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
8.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.008 |
49 |
67 |
|
[EDO]A:407 |
2 |
1 |
184 |
f |
D |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
17498 |
8.8 |
0.3 |
0.836 |
0 |
0 |
0 |
0.000 |
50 |
68 |
|
A |
3 |
1 |
17721 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
17498 |
7.9 |
-0.2 |
0.537 |
0 |
0 |
0 |
0.000 |
51 |
69 |
|
[MG]B:401 |
1 |
1 |
98 |
f |
[MG]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.008 |
52 |
70 |
|
[MG]D:401 |
1 |
1 |
98 |
f |
[MG]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.4 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.008 |
53 |
71 |
|
A |
1 |
1 |
17721 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
17876 |
3.3 |
0.1 |
0.785 |
0 |
0 |
0 |
0.000 |
54 |
72 |
|
[MG]D:402 |
1 |
1 |
98 |
f |
[MG]C:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.003 |
|