## |
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 |
273 |
71 |
23783 |
◊ |
A |
x,y,z |
1_555 |
275 |
71 |
23889 |
2511.7 |
-23.7 |
0.357 |
37 |
1 |
0 |
1.000 |
2 |
2 |
|
[COH]B:619 |
42 |
1 |
832 |
f |
B |
x,y,z |
1_555 |
76 |
28 |
23783 |
599.4 |
-19.4 |
0.524 |
4 |
0 |
0 |
0.692 |
3 |
3 |
|
[COH]A:619 |
43 |
1 |
788 |
f |
A |
x,y,z |
1_555 |
77 |
27 |
23889 |
570.8 |
-17.9 |
0.429 |
3 |
0 |
0 |
0.630 |
4 |
4 |
|
B |
50 |
16 |
23783 |
◊ |
A |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
54 |
18 |
23889 |
528.2 |
-3.8 |
0.382 |
6 |
1 |
0 |
0.000 |
5 |
5 |
|
[EPA]A:1 |
22 |
1 |
622 |
f |
A |
x,y,z |
1_555 |
62 |
27 |
23889 |
457.8 |
1.5 |
0.311 |
2 |
0 |
0 |
0.000 |
6 |
6 |
|
[EPA]B:1 |
22 |
1 |
620 |
f |
B |
x,y,z |
1_555 |
60 |
28 |
23783 |
437.1 |
2.6 |
0.372 |
1 |
0 |
0 |
0.000 |
7 |
7 |
|
B |
40 |
13 |
23783 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
37 |
13 |
23889 |
283.6 |
0.6 |
0.849 |
3 |
7 |
0 |
0.000 |
8 |
8 |
|
A |
37 |
17 |
23889 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
34 |
15 |
23783 |
265.9 |
-1.1 |
0.689 |
2 |
0 |
0 |
0.000 |
9 |
9 |
|
[BOG]B:703 |
19 |
1 |
506 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
32 |
9 |
23889 |
180.6 |
3.1 |
0.350 |
3 |
0 |
0 |
0.000 |
10 |
|
[BOG]A:703 |
18 |
1 |
493 |
◊ |
A |
x,y,z |
1_555 |
32 |
9 |
23889 |
174.5 |
3.0 |
0.334 |
5 |
0 |
0 |
0.000 |
Average: |
177.5 |
3.1 |
0.342 |
4 |
0 |
0 |
0.000 |
10 |
11 |
|
[NAG]B:681 |
12 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
22 |
8 |
23783 |
157.5 |
3.2 |
0.397 |
1 |
0 |
0 |
0.000 |
12 |
|
[NAG]A:681 |
12 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
25 |
8 |
23889 |
149.5 |
2.8 |
0.342 |
2 |
0 |
0 |
0.000 |
Average: |
153.5 |
3.0 |
0.370 |
2 |
0 |
0 |
0.000 |
11 |
13 |
|
[BOG]B:703 |
18 |
1 |
506 |
◊ |
B |
x,y,z |
1_555 |
25 |
7 |
23783 |
154.2 |
2.9 |
0.295 |
2 |
0 |
0 |
0.000 |
14 |
|
B |
26 |
7 |
23783 |
◊ |
[BOG]A:703 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
16 |
1 |
493 |
150.9 |
3.0 |
0.306 |
1 |
0 |
0 |
0.000 |
Average: |
152.5 |
3.0 |
0.301 |
2 |
0 |
0 |
0.000 |
12 |
15 |
|
[BOG]B:703 |
20 |
1 |
506 |
f |
[BOG]A:703 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
20 |
1 |
493 |
151.6 |
5.0 |
0.043 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
[NAG]A:671 |
14 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
21 |
8 |
23889 |
136.2 |
3.8 |
0.340 |
1 |
0 |
0 |
0.000 |
17 |
|
[NAG]B:671 |
14 |
1 |
358 |
cf |
B |
x,y,z |
1_555 |
19 |
8 |
23783 |
134.8 |
3.5 |
0.304 |
1 |
0 |
0 |
0.000 |
Average: |
135.5 |
3.6 |
0.322 |
1 |
0 |
0 |
0.000 |
14 |
18 |
|
[NAG]A:661 |
10 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
13 |
6 |
23889 |
129.7 |
3.5 |
0.435 |
2 |
0 |
0 |
0.000 |
15 |
19 |
|
[NAG]B:661 |
11 |
1 |
365 |
cf |
B |
x,y,z |
1_555 |
16 |
6 |
23783 |
129.1 |
4.1 |
0.462 |
1 |
0 |
0 |
0.000 |
16 |
20 |
|
[EDO]B:7 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
23783 |
116.4 |
3.6 |
0.677 |
4 |
0 |
0 |
0.000 |
17 |
21 |
|
[EDO]B:620 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
23783 |
111.2 |
3.8 |
0.727 |
6 |
0 |
0 |
0.000 |
18 |
22 |
|
[EDO]A:620 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
23889 |
109.9 |
3.4 |
0.684 |
6 |
0 |
0 |
0.000 |
19 |
23 |
|
[EDO]A:4 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
23889 |
108.2 |
3.2 |
0.650 |
3 |
0 |
0 |
0.000 |
20 |
24 |
|
[EDO]A:5 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
23889 |
106.0 |
3.3 |
0.480 |
2 |
0 |
0 |
0.000 |
21 |
25 |
|
[EDO]B:621 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
23783 |
104.2 |
2.9 |
0.511 |
2 |
0 |
0 |
0.000 |
22 |
26 |
|
B |
17 |
6 |
23783 |
◊ |
[EDO]A:8 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
4 |
1 |
184 |
102.8 |
2.5 |
0.439 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
[NDG]B:662 |
8 |
1 |
353 |
cf |
[NAG]B:661 |
x,y,z |
1_555 |
6 |
1 |
365 |
77.9 |
2.7 |
0.135 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
[NAG]B:672 |
5 |
1 |
357 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
23783 |
71.4 |
1.8 |
0.566 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
[NAG]A:672 |
10 |
1 |
358 |
cf |
[NAG]A:671 |
x,y,z |
1_555 |
6 |
1 |
359 |
71.0 |
1.6 |
0.075 |
0 |
0 |
0 |
0.000 |
30 |
|
[NAG]B:672 |
9 |
1 |
357 |
cf |
[NAG]B:671 |
x,y,z |
1_555 |
6 |
1 |
358 |
69.7 |
1.4 |
0.091 |
0 |
0 |
0 |
0.000 |
Average: |
70.3 |
1.5 |
0.083 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
[EDO]A:6 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
23889 |
70.0 |
1.5 |
0.759 |
1 |
0 |
0 |
0.000 |
27 |
32 |
|
[NAG]A:672 |
6 |
1 |
358 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
23783 |
69.6 |
1.2 |
0.332 |
0 |
0 |
0 |
0.000 |
28 |
33 |
|
[NAG]B:672 |
6 |
1 |
357 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
23889 |
68.0 |
1.6 |
0.451 |
0 |
0 |
0 |
0.000 |
29 |
34 |
|
[NAG]A:672 |
5 |
1 |
358 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
23889 |
66.6 |
2.0 |
0.551 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
[NAG]A:662 |
7 |
1 |
357 |
cf |
[NAG]A:661 |
x,y,z |
1_555 |
6 |
1 |
363 |
65.4 |
1.3 |
0.094 |
0 |
0 |
0 |
0.000 |
31 |
36 |
|
[MAN]A:673 |
7 |
1 |
289 |
cf |
[NAG]A:672 |
x,y,z |
1_555 |
5 |
1 |
358 |
60.6 |
2.1 |
0.170 |
0 |
0 |
0 |
0.000 |
32 |
37 |
|
[NAG]A:671 |
8 |
1 |
359 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
23783 |
60.6 |
0.2 |
0.126 |
0 |
0 |
0 |
0.000 |
33 |
38 |
|
[NAG]B:671 |
8 |
1 |
358 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
23889 |
59.1 |
0.1 |
0.111 |
0 |
0 |
0 |
0.000 |
34 |
39 |
|
[EDO]A:5 |
2 |
1 |
183 |
f |
[EDO]A:4 |
x,y,z |
1_555 |
2 |
1 |
185 |
26.2 |
0.9 |
1.000 |
1 |
0 |
0 |
0.000 |
35 |
40 |
|
[NDG]B:662 |
1 |
1 |
353 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
23783 |
23.6 |
0.6 |
0.547 |
0 |
0 |
0 |
0.000 |
36 |
41 |
|
[EDO]A:620 |
1 |
1 |
184 |
f |
[EPA]A:1 |
x,y,z |
1_555 |
2 |
1 |
622 |
16.1 |
0.7 |
0.440 |
0 |
0 |
0 |
0.000 |
37 |
42 |
|
[EPA]B:1 |
3 |
1 |
620 |
f |
[EDO]B:620 |
x,y,z |
1_555 |
1 |
1 |
185 |
13.6 |
0.9 |
0.446 |
0 |
0 |
0 |
0.000 |
38 |
43 |
|
[EDO]A:6 |
1 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
23783 |
13.5 |
0.0 |
0.678 |
0 |
0 |
0 |
0.000 |
39 |
44 |
|
[MAN]A:673 |
2 |
1 |
289 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
23783 |
9.8 |
0.2 |
0.333 |
0 |
0 |
0 |
0.000 |
40 |
45 |
|
[EDO]A:8 |
2 |
1 |
184 |
f |
[BOG]A:703 |
x,y,z |
1_555 |
1 |
1 |
493 |
3.9 |
0.2 |
0.632 |
0 |
0 |
0 |
0.000 |
46 |
|
[BOG]B:703 |
1 |
1 |
506 |
f |
[EDO]A:8 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
184 |
1.2 |
0.0 |
0.592 |
0 |
0 |
0 |
0.000 |
Average: |
2.6 |
0.1 |
0.612 |
0 |
0 |
0 |
0.000 |
|