| ## |
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 |
110 |
28 |
23607 |
◊ |
A |
x,y,z |
1_555 |
110 |
24 |
23722 |
951.3 |
-5.9 |
0.338 |
8 |
2 |
0 |
0.000 |
| 2 |
2 |
|
A |
56 |
17 |
23722 |
◊ |
B |
x,y-1,z |
1_545 |
52 |
16 |
23607 |
458.5 |
-2.9 |
0.354 |
3 |
2 |
0 |
0.000 |
| 3 |
3 |
|
B |
47 |
16 |
23607 |
◊ |
A |
x-1,y,z+1 |
1_456 |
60 |
21 |
23722 |
450.9 |
-4.4 |
0.259 |
4 |
1 |
0 |
0.000 |
| 4 |
4 |
|
A |
34 |
11 |
23722 |
x |
A |
x-1,y,z |
1_455 |
30 |
7 |
23722 |
291.1 |
2.2 |
0.837 |
10 |
4 |
0 |
0.000 |
| 5 |
5 |
|
B |
26 |
8 |
23607 |
◊ |
A |
x-1,y+1,z+1 |
1_466 |
27 |
8 |
23722 |
273.5 |
3.0 |
0.910 |
2 |
4 |
0 |
0.000 |
| 6 |
6 |
|
[P6G]B:1621 |
17 |
1 |
573 |
◊ |
B |
x,y,z |
1_555 |
34 |
10 |
23607 |
237.3 |
1.6 |
0.354 |
2 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[P6G]B:1621 |
17 |
1 |
573 |
f |
A |
x-1,y+1,z+1 |
1_466 |
28 |
7 |
23722 |
201.4 |
-0.8 |
0.233 |
2 |
0 |
0 |
0.012 |
| 8 |
8 |
|
A |
23 |
7 |
23722 |
◊ |
B |
x,y,z-1 |
1_554 |
21 |
7 |
23607 |
198.5 |
-0.9 |
0.344 |
1 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[PEG]A:1622 |
7 |
1 |
261 |
f |
A |
x,y,z |
1_555 |
27 |
12 |
23722 |
165.9 |
5.4 |
0.597 |
2 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[NAG]B:1617 |
12 |
1 |
365 |
cf |
B |
x,y,z |
1_555 |
20 |
7 |
23607 |
150.8 |
2.7 |
0.273 |
2 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[PEG]B:1622 |
7 |
1 |
261 |
f |
B |
x,y,z |
1_555 |
30 |
14 |
23607 |
147.0 |
4.4 |
0.430 |
1 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[PEG]A:1620 |
7 |
1 |
263 |
f |
A |
x,y,z |
1_555 |
25 |
11 |
23722 |
145.4 |
4.5 |
0.460 |
1 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[NAG]A:1616 |
11 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
19 |
6 |
23722 |
143.8 |
3.2 |
0.406 |
1 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[NAG]B:1615 |
11 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
21 |
7 |
23607 |
141.0 |
4.5 |
0.526 |
2 |
0 |
0 |
0.000 |
15 |
|
[NAG]A:1614 |
10 |
1 |
365 |
cf |
A |
x,y,z |
1_555 |
21 |
7 |
23722 |
136.6 |
4.2 |
0.521 |
2 |
0 |
0 |
0.000 |
| Average: |
138.8 |
4.4 |
0.523 |
2 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[PG4]B:1611 |
7 |
1 |
333 |
◊ |
B |
x,y,z |
1_555 |
22 |
7 |
23607 |
128.0 |
3.8 |
0.411 |
1 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[PEG]B:1620 |
7 |
1 |
257 |
f |
A |
x-1,y+1,z+1 |
1_466 |
22 |
7 |
23722 |
125.7 |
2.2 |
0.231 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[PG4]B:1611 |
9 |
1 |
333 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
23722 |
123.0 |
2.7 |
0.207 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[PEG]B:1623 |
7 |
1 |
261 |
f |
B |
x,y,z |
1_555 |
23 |
8 |
23607 |
113.7 |
1.6 |
0.244 |
1 |
0 |
0 |
0.000 |
| 19 |
20 |
|
[PEG]A:1621 |
7 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
23722 |
103.5 |
3.1 |
0.369 |
1 |
0 |
0 |
0.000 |
| 20 |
21 |
|
[NAG]A:1612 |
11 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
13 |
5 |
23722 |
98.1 |
3.3 |
0.371 |
1 |
0 |
0 |
0.000 |
22 |
|
[NAG]B:1613 |
11 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
13 |
5 |
23607 |
97.5 |
3.1 |
0.344 |
1 |
0 |
0 |
0.000 |
| Average: |
97.8 |
3.2 |
0.358 |
1 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[NAG]B:1613 |
7 |
1 |
364 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
23722 |
90.6 |
2.4 |
0.456 |
1 |
0 |
0 |
0.000 |
24 |
|
[NAG]A:1612 |
6 |
1 |
361 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
23607 |
88.2 |
2.4 |
0.547 |
1 |
0 |
0 |
0.000 |
| Average: |
89.4 |
2.4 |
0.502 |
1 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[FUC]B:1614 |
7 |
1 |
276 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
23607 |
82.4 |
0.4 |
0.234 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[NAG]A:1617 |
10 |
1 |
366 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
23722 |
79.6 |
0.5 |
0.145 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
[NAG]B:1618 |
11 |
1 |
365 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
23607 |
79.5 |
0.7 |
0.136 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
[NAG]B:1616 |
8 |
1 |
362 |
cf |
[NAG]B:1615 |
x,y,z |
1_555 |
7 |
1 |
362 |
77.0 |
1.9 |
0.124 |
0 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[FUC]A:1613 |
8 |
1 |
283 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
23722 |
74.5 |
1.1 |
0.271 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
[NAG]A:1615 |
9 |
1 |
367 |
cf |
[NAG]A:1614 |
x,y,z |
1_555 |
6 |
1 |
365 |
72.3 |
1.5 |
0.083 |
0 |
0 |
0 |
0.000 |
31 |
|
[NAG]B:1618 |
10 |
1 |
365 |
cf |
[NAG]B:1617 |
x,y,z |
1_555 |
6 |
1 |
365 |
69.1 |
1.4 |
0.069 |
1 |
0 |
0 |
0.000 |
| Average: |
70.7 |
1.5 |
0.076 |
1 |
0 |
0 |
0.000 |
| 28 |
32 |
|
[NAG]A:1617 |
9 |
1 |
366 |
cf |
[NAG]A:1616 |
x,y,z |
1_555 |
6 |
1 |
362 |
69.5 |
1.5 |
0.089 |
0 |
0 |
0 |
0.000 |
| 29 |
33 |
|
[CL]B:1612 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
23607 |
69.1 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.089 |
34 |
|
[CL]A:1611 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
23722 |
68.2 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.089 |
| Average: |
68.6 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.089 |
| 30 |
35 |
|
[BMA]B:1619 |
8 |
1 |
293 |
f |
B |
x,y,z |
1_555 |
7 |
1 |
23607 |
62.7 |
1.5 |
0.306 |
0 |
0 |
0 |
0.000 |
36 |
|
[BMA]A:1618 |
8 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
7 |
1 |
23722 |
55.5 |
1.3 |
0.285 |
0 |
0 |
0 |
0.000 |
| Average: |
59.1 |
1.4 |
0.295 |
0 |
0 |
0 |
0.000 |
| 31 |
37 |
|
A |
11 |
3 |
23722 |
◊ |
[FUC]A:1619 |
x-1,y,z |
1_455 |
4 |
1 |
280 |
61.5 |
1.0 |
0.394 |
0 |
0 |
0 |
0.000 |
| 32 |
38 |
|
[BMA]A:1618 |
6 |
1 |
292 |
cf |
[NAG]A:1617 |
x,y,z |
1_555 |
5 |
1 |
366 |
61.0 |
1.2 |
0.117 |
0 |
0 |
0 |
0.000 |
| 33 |
39 |
|
[BMA]B:1619 |
5 |
1 |
293 |
cf |
[NAG]B:1618 |
x,y,z |
1_555 |
5 |
1 |
365 |
60.6 |
1.2 |
0.152 |
1 |
0 |
0 |
0.000 |
| 34 |
40 |
|
[PEG]B:1620 |
6 |
1 |
257 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
23607 |
60.0 |
1.5 |
0.245 |
0 |
0 |
0 |
0.000 |
| 35 |
41 |
|
[FUC]B:1614 |
6 |
1 |
276 |
cf |
[NAG]B:1613 |
x,y,z |
1_555 |
6 |
1 |
364 |
58.4 |
1.7 |
0.139 |
0 |
0 |
0 |
0.000 |
| 36 |
42 |
|
[FUC]A:1613 |
5 |
1 |
283 |
cf |
[NAG]A:1612 |
x,y,z |
1_555 |
6 |
1 |
361 |
58.0 |
1.8 |
0.171 |
0 |
0 |
0 |
0.000 |
| 37 |
43 |
|
[FUC]A:1619 |
6 |
1 |
280 |
cf |
[NAG]A:1616 |
x,y,z |
1_555 |
5 |
1 |
362 |
55.7 |
2.3 |
0.229 |
0 |
0 |
0 |
0.000 |
| 38 |
44 |
|
[ZN]A:1001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
23722 |
51.0 |
-37.3 |
0.000 |
0 |
0 |
0 |
0.265 |
45 |
|
[ZN]B:1001 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
7 |
5 |
23607 |
48.8 |
-35.3 |
0.000 |
0 |
0 |
0 |
0.265 |
| Average: |
49.9 |
-36.3 |
0.000 |
0 |
0 |
0 |
0.265 |
| 39 |
46 |
|
[FUC]A:1619 |
3 |
1 |
280 |
f |
[NAG]A:1617 |
x,y,z |
1_555 |
6 |
1 |
366 |
42.9 |
2.2 |
0.292 |
0 |
0 |
0 |
0.000 |
| 40 |
47 |
|
[NAG]B:1616 |
4 |
1 |
362 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
23607 |
40.0 |
1.3 |
0.523 |
0 |
0 |
0 |
0.000 |
| 41 |
48 |
|
[PEG]B:1623 |
3 |
1 |
261 |
f |
[PEG]B:1622 |
x,y,z |
1_555 |
3 |
1 |
261 |
35.2 |
1.0 |
0.139 |
1 |
0 |
0 |
0.000 |
| 42 |
49 |
|
[NAG]A:1615 |
4 |
1 |
367 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
23722 |
27.3 |
1.0 |
0.440 |
0 |
0 |
0 |
0.000 |
| 43 |
50 |
|
[NAG]A:1615 |
1 |
1 |
367 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
3 |
23607 |
24.6 |
0.5 |
0.506 |
0 |
0 |
0 |
0.000 |
| 44 |
51 |
|
[P6G]B:1621 |
1 |
1 |
573 |
f |
[PEG]B:1620 |
x,y,z |
1_555 |
2 |
1 |
257 |
20.7 |
-0.0 |
0.243 |
1 |
0 |
0 |
0.003 |
| 45 |
52 |
|
[PEG]B:1622 |
2 |
1 |
261 |
f |
[ZN]B:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.013 |
53 |
|
[PEG]A:1620 |
1 |
1 |
263 |
f |
[ZN]A:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.013 |
| Average: |
6.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.013 |
| 46 |
54 |
|
A |
2 |
1 |
23722 |
◊ |
[NAG]A:1616 |
x-1,y,z |
1_455 |
2 |
1 |
362 |
4.8 |
-0.1 |
0.298 |
0 |
0 |
0 |
0.000 |
|