| ## |
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 |
70 |
19 |
18888 |
◊ |
B |
x-y,x,z-1/2 |
6_554 |
67 |
19 |
18565 |
571.7 |
0.4 |
0.732 |
3 |
0 |
0 |
0.000 |
| 2 |
2 |
|
B |
60 |
21 |
18565 |
◊ |
A |
x,y,z |
1_555 |
59 |
21 |
18888 |
537.4 |
1.0 |
0.774 |
9 |
12 |
0 |
0.000 |
| 3 |
3 |
|
A |
60 |
19 |
18888 |
x |
A |
-y+1,x-y+1,z |
2_665 |
42 |
12 |
18888 |
472.1 |
0.9 |
0.760 |
4 |
0 |
0 |
0.000 |
| 4 |
4 |
|
[NAG]B:1659 |
13 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
21 |
10 |
18565 |
167.6 |
3.5 |
0.349 |
1 |
0 |
0 |
0.000 |
5 |
|
[NAG]A:609 |
13 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
23 |
10 |
18888 |
162.3 |
4.1 |
0.347 |
1 |
0 |
0 |
0.000 |
| Average: |
165.0 |
3.8 |
0.348 |
1 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[NAG]B:1851 |
11 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
17 |
7 |
18565 |
132.3 |
3.3 |
0.402 |
1 |
0 |
0 |
0.000 |
7 |
|
[NAG]A:1801 |
11 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
17 |
7 |
18888 |
130.3 |
3.3 |
0.406 |
1 |
0 |
0 |
0.000 |
| Average: |
131.3 |
3.3 |
0.404 |
1 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[NAG]B:1951 |
9 |
1 |
367 |
f |
B |
x,y,z |
1_555 |
18 |
5 |
18565 |
122.4 |
3.4 |
0.507 |
1 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[NAG]B:1751 |
12 |
1 |
362 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
18565 |
119.3 |
3.2 |
0.343 |
1 |
0 |
0 |
0.000 |
10 |
|
[NAG]A:1701 |
11 |
1 |
360 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
18888 |
117.8 |
3.1 |
0.387 |
1 |
0 |
0 |
0.000 |
| Average: |
118.6 |
3.2 |
0.365 |
1 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[EDO]B:1912 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
18565 |
111.7 |
2.2 |
0.238 |
3 |
0 |
0 |
0.000 |
12 |
|
[EDO]A:1902 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
18888 |
110.0 |
2.4 |
0.230 |
3 |
0 |
0 |
0.000 |
| Average: |
110.9 |
2.3 |
0.234 |
3 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[NAG]B:1551 |
10 |
1 |
360 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
18565 |
110.5 |
2.7 |
0.393 |
3 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[EDO]A:1932 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
18888 |
106.6 |
3.3 |
0.403 |
5 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[NAG]A:1501 |
10 |
1 |
361 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
18888 |
105.4 |
2.7 |
0.391 |
2 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[SO4]A:2901 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
18888 |
99.5 |
-15.4 |
0.765 |
6 |
0 |
0 |
0.868 |
| 13 |
17 |
|
[SO4]B:2951 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
18565 |
99.1 |
-15.4 |
0.781 |
6 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[NAG]A:608 |
9 |
1 |
364 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
18888 |
98.9 |
1.3 |
0.237 |
2 |
0 |
0 |
0.000 |
19 |
|
[NAG]B:1658 |
9 |
1 |
361 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
18565 |
96.8 |
1.5 |
0.251 |
2 |
0 |
0 |
0.000 |
| Average: |
97.9 |
1.4 |
0.244 |
2 |
0 |
0 |
0.000 |
| 15 |
20 |
|
[EDO]A:1922 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
18888 |
88.7 |
2.7 |
0.281 |
3 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[NAG]A:609 |
7 |
1 |
363 |
cf |
[NAG]A:608 |
x,y,z |
1_555 |
10 |
1 |
364 |
72.4 |
1.5 |
0.058 |
1 |
0 |
0 |
0.000 |
22 |
|
[NAG]B:1659 |
7 |
1 |
362 |
cf |
[NAG]B:1658 |
x,y,z |
1_555 |
10 |
1 |
361 |
68.7 |
1.5 |
0.073 |
1 |
0 |
0 |
0.000 |
| Average: |
70.5 |
1.5 |
0.065 |
1 |
0 |
0 |
0.000 |
| 17 |
23 |
|
[NAG]A:1802 |
8 |
1 |
364 |
f |
[NAG]A:1801 |
x,y,z |
1_555 |
6 |
1 |
361 |
69.1 |
1.6 |
0.113 |
0 |
0 |
0 |
0.000 |
24 |
|
[NAG]B:1852 |
9 |
1 |
367 |
f |
[NAG]B:1851 |
x,y,z |
1_555 |
6 |
1 |
363 |
65.1 |
1.4 |
0.093 |
0 |
0 |
0 |
0.000 |
| Average: |
67.1 |
1.5 |
0.103 |
0 |
0 |
0 |
0.000 |
| 18 |
25 |
|
[NAG]A:1502 |
8 |
1 |
364 |
◊ |
[NAG]A:1501 |
x,y,z |
1_555 |
6 |
1 |
361 |
63.7 |
1.1 |
0.100 |
0 |
0 |
0 |
0.000 |
| 19 |
26 |
|
[MAN]B:1653 |
7 |
1 |
296 |
f |
[MAN]B:1652 |
x,y,z |
1_555 |
6 |
1 |
292 |
62.3 |
2.2 |
0.170 |
0 |
0 |
0 |
0.000 |
| 20 |
27 |
|
[MAN]B:1652 |
6 |
1 |
292 |
f |
[MAN]B:1651 |
x,y,z |
1_555 |
8 |
1 |
296 |
58.5 |
2.0 |
0.151 |
0 |
0 |
0 |
0.000 |
| 21 |
28 |
|
[MAN]A:1603 |
6 |
1 |
293 |
f |
[MAN]A:1602 |
x,y,z |
1_555 |
6 |
1 |
290 |
57.8 |
1.7 |
0.172 |
0 |
0 |
0 |
0.000 |
| 22 |
29 |
|
[MAN]B:1652 |
5 |
1 |
292 |
f |
[NAG]B:1658 |
x,y,z |
1_555 |
5 |
1 |
361 |
56.6 |
1.4 |
0.183 |
0 |
0 |
0 |
0.000 |
30 |
|
[MAN]A:1602 |
7 |
1 |
290 |
f |
[NAG]A:608 |
x,y,z |
1_555 |
4 |
1 |
364 |
56.1 |
1.1 |
0.148 |
0 |
0 |
0 |
0.000 |
| Average: |
56.3 |
1.3 |
0.166 |
0 |
0 |
0 |
0.000 |
| 23 |
31 |
|
[MAN]A:1602 |
6 |
1 |
290 |
f |
[MAN]A:1601 |
x,y,z |
1_555 |
7 |
1 |
292 |
55.9 |
2.6 |
0.199 |
0 |
0 |
0 |
0.000 |
| 24 |
32 |
|
[CL]A:2902 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
18888 |
52.6 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.353 |
| 25 |
33 |
|
[EDO]A:1922 |
4 |
1 |
182 |
f |
[NAG]A:609 |
x,y,z |
1_555 |
6 |
1 |
363 |
45.8 |
1.5 |
0.281 |
1 |
0 |
0 |
0.000 |
| 26 |
34 |
|
B |
2 |
1 |
18565 |
x |
B |
-y+1,x-y,z |
2_655 |
7 |
2 |
18565 |
42.5 |
0.2 |
0.599 |
0 |
0 |
0 |
0.000 |
| 27 |
35 |
|
A |
9 |
4 |
18888 |
◊ |
[CL]A:2902 |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
125 |
40.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 28 |
36 |
|
[SO4]A:2901 |
4 |
1 |
185 |
◊ |
B |
x-y,x,z-1/2 |
6_554 |
3 |
1 |
18565 |
36.7 |
-3.8 |
0.964 |
1 |
0 |
0 |
0.000 |
| 29 |
37 |
|
A |
3 |
1 |
18888 |
◊ |
[SO4]B:2951 |
x-y,x,z-1/2 |
6_554 |
4 |
1 |
185 |
36.0 |
-3.7 |
0.967 |
1 |
0 |
0 |
0.000 |
| 30 |
38 |
|
[NAG]A:1502 |
3 |
1 |
364 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
18888 |
20.6 |
0.1 |
0.130 |
0 |
0 |
0 |
0.000 |
| 31 |
39 |
|
[NAG]B:1551 |
3 |
1 |
360 |
f |
B |
-y+1,x-y,z |
2_655 |
3 |
1 |
18565 |
15.9 |
0.5 |
0.426 |
0 |
0 |
0 |
0.000 |
| 32 |
40 |
|
[MAN]A:1601 |
3 |
1 |
292 |
f |
[NAG]A:608 |
x,y,z |
1_555 |
3 |
1 |
364 |
15.0 |
0.5 |
0.223 |
0 |
0 |
0 |
0.000 |
| 33 |
41 |
|
B |
1 |
1 |
18565 |
f |
[NAG]A:1501 |
-y+1,x-y+1,z |
2_665 |
4 |
1 |
361 |
14.7 |
0.0 |
0.165 |
0 |
0 |
0 |
0.000 |
| 34 |
42 |
|
[MAN]A:1603 |
3 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
18888 |
10.0 |
0.4 |
0.499 |
0 |
0 |
0 |
0.000 |
| 35 |
43 |
|
[MAN]B:1653 |
2 |
1 |
296 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
18565 |
6.9 |
0.2 |
0.428 |
0 |
0 |
0 |
0.000 |
| 36 |
44 |
|
[MAN]B:1653 |
1 |
1 |
296 |
f |
[MAN]B:1651 |
x,y,z |
1_555 |
1 |
1 |
296 |
2.7 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
| 37 |
45 |
|
[MAN]A:1602 |
1 |
1 |
290 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
18888 |
2.6 |
0.1 |
0.313 |
0 |
0 |
0 |
0.000 |
| 38 |
46 |
|
[MAN]B:1651 |
1 |
1 |
296 |
f |
[NAG]B:1658 |
x,y,z |
1_555 |
1 |
1 |
361 |
0.9 |
0.1 |
0.161 |
0 |
0 |
0 |
0.000 |
| 39 |
47 |
|
[NAG]B:1852 |
1 |
1 |
367 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
18565 |
0.5 |
0.0 |
0.304 |
0 |
0 |
0 |
0.000 |
48 |
|
[NAG]A:1802 |
1 |
1 |
364 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
18888 |
0.1 |
0.0 |
0.298 |
0 |
0 |
0 |
0.000 |
| Average: |
0.3 |
0.0 |
0.301 |
0 |
0 |
0 |
0.000 |
|