## |
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 |
|
G |
54 |
15 |
5226 |
◊ |
A |
x,y,z |
1_555 |
50 |
13 |
5368 |
554.2 |
-8.0 |
0.105 |
4 |
1 |
0 |
1.000 |
2 |
|
F |
49 |
14 |
5103 |
◊ |
C |
x,y,z |
1_555 |
52 |
13 |
5309 |
522.6 |
-9.0 |
0.085 |
3 |
2 |
0 |
1.000 |
3 |
|
E |
48 |
12 |
5107 |
◊ |
B |
x,y,z |
1_555 |
49 |
13 |
5427 |
510.0 |
-9.8 |
0.059 |
2 |
0 |
0 |
1.000 |
4 |
|
H |
49 |
13 |
5292 |
◊ |
D |
x,y,z |
1_555 |
47 |
12 |
5280 |
506.6 |
-10.1 |
0.053 |
2 |
0 |
0 |
1.000 |
Average: |
523.3 |
-9.2 |
0.075 |
3 |
1 |
0 |
1.000 |
2 |
5 |
|
H |
39 |
14 |
5292 |
◊ |
C |
x,y,z |
1_555 |
41 |
12 |
5309 |
343.1 |
-7.5 |
0.100 |
7 |
0 |
1 |
1.000 |
6 |
|
F |
38 |
14 |
5103 |
◊ |
E |
x,y,z |
1_555 |
37 |
12 |
5107 |
330.0 |
-7.2 |
0.088 |
7 |
0 |
1 |
1.000 |
7 |
|
G |
34 |
11 |
5226 |
◊ |
D |
x,y,z |
1_555 |
33 |
10 |
5280 |
312.2 |
-7.1 |
0.063 |
7 |
0 |
1 |
1.000 |
8 |
|
B |
36 |
13 |
5427 |
◊ |
A |
x,y,z |
1_555 |
36 |
13 |
5368 |
310.2 |
-7.5 |
0.082 |
7 |
0 |
1 |
1.000 |
Average: |
323.9 |
-7.3 |
0.084 |
7 |
0 |
1 |
1.000 |
3 |
9 |
|
A |
31 |
8 |
5368 |
◊ |
C |
x,y,z-1 |
1_554 |
30 |
12 |
5309 |
294.7 |
-0.5 |
0.590 |
3 |
0 |
0 |
0.000 |
4 |
10 |
|
G |
34 |
11 |
5226 |
◊ |
B |
x,y,z |
1_555 |
33 |
12 |
5427 |
267.9 |
-2.2 |
0.444 |
2 |
0 |
0 |
0.205 |
11 |
|
E |
33 |
10 |
5107 |
◊ |
C |
x,y,z |
1_555 |
34 |
10 |
5309 |
265.0 |
-2.4 |
0.410 |
2 |
0 |
0 |
0.205 |
12 |
|
E |
31 |
8 |
5107 |
◊ |
A |
x,y,z |
1_555 |
34 |
12 |
5368 |
263.1 |
-2.6 |
0.392 |
2 |
0 |
0 |
0.205 |
13 |
|
D |
27 |
8 |
5280 |
◊ |
C |
x,y,z |
1_555 |
38 |
12 |
5309 |
262.7 |
-2.4 |
0.401 |
2 |
0 |
0 |
0.205 |
14 |
|
H |
33 |
10 |
5292 |
◊ |
F |
x,y,z |
1_555 |
31 |
9 |
5103 |
259.1 |
-2.2 |
0.451 |
2 |
0 |
0 |
0.205 |
15 |
|
D |
35 |
11 |
5280 |
◊ |
A |
x,y,z |
1_555 |
29 |
10 |
5368 |
255.8 |
-2.2 |
0.428 |
2 |
0 |
0 |
0.205 |
16 |
|
H |
29 |
8 |
5292 |
◊ |
G |
x,y,z |
1_555 |
29 |
12 |
5226 |
250.0 |
-1.5 |
0.480 |
3 |
0 |
0 |
0.205 |
17 |
|
F |
34 |
11 |
5103 |
◊ |
B |
x,y,z |
1_555 |
29 |
9 |
5427 |
246.4 |
-2.3 |
0.436 |
2 |
0 |
0 |
0.205 |
Average: |
258.8 |
-2.2 |
0.430 |
2 |
0 |
0 |
0.205 |
5 |
18 |
|
G |
23 |
6 |
5226 |
◊ |
C |
x-1,y,z-1 |
1_454 |
28 |
8 |
5309 |
231.8 |
1.5 |
0.794 |
4 |
0 |
0 |
0.000 |
6 |
19 |
|
B |
26 |
7 |
5427 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
20 |
8 |
5280 |
229.9 |
1.3 |
0.793 |
4 |
2 |
0 |
0.000 |
7 |
20 |
|
G |
19 |
8 |
5226 |
◊ |
A |
x-1,y,z |
1_455 |
26 |
9 |
5368 |
221.3 |
0.8 |
0.727 |
2 |
2 |
0 |
0.000 |
8 |
21 |
|
B |
23 |
8 |
5427 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
28 |
8 |
5226 |
214.7 |
1.9 |
0.823 |
2 |
3 |
0 |
0.000 |
9 |
22 |
|
B |
21 |
7 |
5427 |
◊ |
H |
-x,y-1/2,-z+1 |
2_546 |
20 |
8 |
5292 |
201.3 |
-0.2 |
0.633 |
2 |
0 |
0 |
0.000 |
10 |
23 |
|
H |
18 |
7 |
5292 |
◊ |
E |
x-1,y,z |
1_455 |
21 |
7 |
5107 |
193.2 |
2.6 |
0.876 |
4 |
0 |
0 |
0.000 |
11 |
24 |
|
B |
20 |
7 |
5427 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
22 |
7 |
5280 |
158.7 |
-0.2 |
0.630 |
0 |
0 |
0 |
0.000 |
12 |
25 |
|
[EDO]E:203 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
19 |
5 |
5107 |
91.9 |
2.4 |
0.437 |
1 |
0 |
0 |
0.000 |
13 |
26 |
|
[EDO]D:204 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
17 |
5 |
5280 |
91.5 |
2.5 |
0.460 |
3 |
0 |
0 |
0.000 |
14 |
27 |
|
[EDO]A:205 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
5368 |
90.7 |
2.2 |
0.461 |
3 |
0 |
0 |
0.000 |
15 |
28 |
|
[EDO]H:202 |
4 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
20 |
5 |
5292 |
90.6 |
2.2 |
0.458 |
1 |
0 |
0 |
0.000 |
16 |
29 |
|
[EDO]B:203 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
19 |
5 |
5427 |
88.8 |
2.2 |
0.462 |
1 |
0 |
0 |
0.000 |
17 |
30 |
|
F |
8 |
4 |
5103 |
◊ |
E |
x-1,y,z |
1_455 |
10 |
4 |
5107 |
77.6 |
1.2 |
0.795 |
3 |
2 |
0 |
0.000 |
18 |
31 |
|
A |
6 |
3 |
5368 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
3 |
5280 |
77.5 |
-0.7 |
0.315 |
0 |
0 |
0 |
0.000 |
19 |
32 |
|
[EDO]A:204 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
15 |
8 |
5226 |
72.3 |
1.7 |
0.834 |
3 |
0 |
0 |
0.000 |
20 |
33 |
|
[EDO]C:203 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
5309 |
70.4 |
2.4 |
0.295 |
2 |
0 |
0 |
0.000 |
21 |
34 |
|
E |
6 |
2 |
5107 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
2 |
5226 |
69.1 |
0.1 |
0.612 |
1 |
0 |
0 |
0.000 |
22 |
35 |
|
[EDO]G:204 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
7 |
5368 |
57.0 |
1.3 |
0.833 |
1 |
0 |
0 |
0.000 |
23 |
36 |
|
E |
9 |
4 |
5107 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
5280 |
55.4 |
-1.1 |
0.142 |
0 |
0 |
0 |
0.000 |
24 |
37 |
|
F |
7 |
3 |
5103 |
◊ |
H |
-x,y-1/2,-z+2 |
2_547 |
7 |
3 |
5292 |
54.7 |
0.3 |
0.627 |
0 |
0 |
0 |
0.000 |
25 |
38 |
|
H |
8 |
4 |
5292 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
2 |
5309 |
53.2 |
1.4 |
0.860 |
1 |
2 |
0 |
0.000 |
26 |
39 |
|
[EDO]G:204 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
5226 |
50.7 |
1.6 |
0.791 |
0 |
0 |
0 |
0.000 |
27 |
40 |
|
[EDO]A:204 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
5368 |
47.6 |
1.3 |
0.765 |
1 |
0 |
0 |
0.000 |
28 |
41 |
|
[EDO]E:203 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
5368 |
46.6 |
0.9 |
0.531 |
0 |
0 |
0 |
0.000 |
29 |
42 |
|
[EDO]D:204 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
5309 |
46.4 |
0.6 |
0.408 |
0 |
0 |
0 |
0.000 |
30 |
43 |
|
[EDO]B:203 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
5103 |
45.9 |
0.9 |
0.556 |
0 |
0 |
0 |
0.000 |
31 |
44 |
|
A |
7 |
3 |
5368 |
◊ |
[EDO]C:203 |
x,y,z-1 |
1_554 |
2 |
1 |
183 |
45.0 |
1.5 |
0.519 |
0 |
0 |
0 |
0.000 |
32 |
45 |
|
[EDO]H:202 |
4 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
5 |
3 |
5226 |
44.6 |
0.8 |
0.537 |
0 |
0 |
0 |
0.000 |
33 |
46 |
|
E |
6 |
2 |
5107 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
1 |
5368 |
43.7 |
-0.6 |
0.424 |
0 |
0 |
0 |
0.000 |
34 |
47 |
|
F |
6 |
2 |
5103 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
4 |
2 |
5280 |
42.9 |
0.2 |
0.649 |
0 |
0 |
0 |
0.000 |
35 |
48 |
|
[EDO]G:204 |
4 |
1 |
184 |
◊ |
[EDO]A:204 |
x,y,z |
1_555 |
4 |
1 |
184 |
38.9 |
1.5 |
1.000 |
1 |
0 |
0 |
0.000 |
36 |
49 |
|
[EDO]A:205 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
5280 |
37.9 |
0.7 |
0.668 |
0 |
0 |
0 |
0.000 |
37 |
50 |
|
G |
3 |
1 |
5226 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
1 |
5280 |
34.9 |
1.2 |
0.877 |
0 |
0 |
0 |
0.000 |
38 |
51 |
|
B |
6 |
2 |
5427 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
1 |
5368 |
33.2 |
-0.0 |
0.604 |
0 |
1 |
0 |
0.000 |
39 |
52 |
|
[MG]D:203 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
5280 |
30.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.172 |
40 |
53 |
|
[MG]D:202 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
5280 |
25.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.169 |
54 |
|
[MG]E:202 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
5107 |
25.1 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.169 |
Average: |
25.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.169 |
41 |
55 |
|
[MG]D:202 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
4 |
3 |
5292 |
25.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.037 |
56 |
|
[MG]E:202 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
5427 |
24.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
24.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.037 |
42 |
57 |
|
[MG]D:203 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
5226 |
23.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.120 |
43 |
58 |
|
[EDO]A:205 |
3 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
4 |
2 |
5226 |
23.4 |
0.4 |
0.593 |
0 |
0 |
0 |
0.000 |
44 |
59 |
|
B |
5 |
2 |
5427 |
◊ |
[MG]D:203 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
98 |
23.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
60 |
|
[EDO]D:204 |
3 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
3 |
2 |
5292 |
22.7 |
0.3 |
0.557 |
0 |
0 |
0 |
0.000 |
46 |
61 |
|
[EDO]B:203 |
1 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
5107 |
20.4 |
0.3 |
0.214 |
0 |
0 |
0 |
0.000 |
47 |
62 |
|
[EDO]H:202 |
2 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
5280 |
20.0 |
0.3 |
0.311 |
0 |
0 |
0 |
0.000 |
48 |
63 |
|
[EDO]E:203 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
5427 |
18.7 |
0.2 |
0.360 |
0 |
0 |
0 |
0.000 |
49 |
64 |
|
F |
3 |
1 |
5103 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
5226 |
16.2 |
0.5 |
0.815 |
0 |
0 |
0 |
0.000 |
50 |
65 |
|
[EDO]G:204 |
1 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
5280 |
13.2 |
0.2 |
0.414 |
0 |
0 |
0 |
0.000 |
51 |
66 |
|
[EDO]G:204 |
2 |
1 |
184 |
◊ |
[EDO]A:205 |
x,y,z |
1_555 |
1 |
1 |
184 |
12.1 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
52 |
67 |
|
H |
2 |
1 |
5292 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
5280 |
11.4 |
0.1 |
0.550 |
0 |
0 |
0 |
0.000 |
53 |
68 |
|
[EDO]C:203 |
1 |
1 |
183 |
f |
H |
x,y,z |
1_555 |
1 |
1 |
5292 |
11.3 |
0.3 |
0.924 |
0 |
0 |
0 |
0.000 |
54 |
69 |
|
[EDO]A:204 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
5427 |
10.8 |
0.2 |
0.455 |
0 |
0 |
0 |
0.000 |
55 |
70 |
|
A |
1 |
1 |
5368 |
◊ |
F |
x,y,z-1 |
1_554 |
1 |
1 |
5103 |
10.5 |
0.3 |
0.814 |
0 |
0 |
0 |
0.000 |
56 |
71 |
|
C |
4 |
2 |
5309 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
5368 |
9.0 |
-0.1 |
0.483 |
0 |
0 |
0 |
0.001 |
72 |
|
H |
2 |
1 |
5292 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
5427 |
1.2 |
0.0 |
0.627 |
0 |
0 |
0 |
0.001 |
Average: |
5.1 |
-0.1 |
0.555 |
0 |
0 |
0 |
0.001 |
57 |
73 |
|
[MG]D:202 |
1 |
1 |
98 |
f |
[EDO]H:202 |
x,y,z |
1_555 |
2 |
1 |
186 |
8.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.047 |
74 |
|
[MG]E:202 |
1 |
1 |
98 |
f |
[EDO]B:203 |
x,y,z |
1_555 |
2 |
1 |
184 |
8.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.047 |
Average: |
8.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.047 |
58 |
75 |
|
G |
1 |
1 |
5226 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
5309 |
5.3 |
-0.1 |
0.444 |
0 |
0 |
0 |
0.000 |
59 |
76 |
|
C |
2 |
1 |
5309 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
5427 |
5.0 |
-0.1 |
0.463 |
0 |
0 |
0 |
0.000 |
60 |
77 |
|
[MG]D:202 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
5226 |
4.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.026 |
78 |
|
[MG]E:202 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
5103 |
2.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
3.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.026 |
|