## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
[92H]A:627 |
32 |
1 |
704 |
f |
A |
x,y,z |
1_555 |
80 |
27 |
20238 |
483.8 |
-11.5 |
0.348 |
0 |
0 |
0 |
0.198 |
2 |
|
A |
45 |
16 |
20238 |
x |
A |
-y,x,z |
3_555 |
45 |
12 |
20238 |
454.5 |
-4.4 |
0.186 |
3 |
1 |
0 |
0.075 |
3 |
|
A |
50 |
14 |
20238 |
◊ |
A |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
51 |
14 |
20238 |
405.7 |
-2.2 |
0.496 |
6 |
4 |
0 |
0.000 |
4 |
|
A |
49 |
17 |
20238 |
◊ |
A |
y,x,-z+1 |
7_556 |
48 |
17 |
20238 |
395.2 |
-7.0 |
0.089 |
0 |
0 |
0 |
0.061 |
5 |
|
A |
45 |
10 |
20238 |
◊ |
A |
-x,y,-z+1 |
5_556 |
44 |
10 |
20238 |
380.4 |
-7.8 |
0.032 |
0 |
0 |
0 |
0.059 |
6 |
|
[1PG]A:628 |
17 |
1 |
506 |
f |
A |
x,y,z |
1_555 |
44 |
15 |
20238 |
289.7 |
9.0 |
0.379 |
1 |
0 |
0 |
0.000 |
7 |
|
[92H]A:626 |
23 |
1 |
723 |
◊ |
A |
x,y,z |
1_555 |
24 |
10 |
20238 |
253.1 |
-6.8 |
0.136 |
0 |
0 |
0 |
0.083 |
8 |
|
[92H]A:626 |
22 |
1 |
723 |
◊ |
A |
-y,x,z |
3_555 |
30 |
8 |
20238 |
222.2 |
-2.4 |
0.857 |
0 |
0 |
0 |
0.028 |
9 |
|
[MES]A:624 |
12 |
1 |
334 |
◊ |
A |
x,y,z |
1_555 |
29 |
7 |
20238 |
183.0 |
6.1 |
0.350 |
0 |
0 |
0 |
0.000 |
10 |
|
[MES]A:625 |
10 |
1 |
338 |
◊ |
A |
x,y,z |
1_555 |
25 |
12 |
20238 |
158.3 |
4.4 |
0.244 |
0 |
0 |
0 |
0.000 |
11 |
|
[NAG]A:607 |
11 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
22 |
7 |
20238 |
148.4 |
4.4 |
0.530 |
0 |
0 |
0 |
0.000 |
12 |
|
[NAG]A:609 |
13 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
21 |
8 |
20238 |
144.9 |
2.9 |
0.309 |
2 |
0 |
0 |
0.000 |
13 |
|
[NAG]A:601 |
11 |
1 |
357 |
cf |
A |
x,y,z |
1_555 |
17 |
8 |
20238 |
131.5 |
2.9 |
0.354 |
0 |
0 |
0 |
0.000 |
14 |
|
[FUC]A:611 |
9 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
20238 |
131.1 |
2.5 |
0.390 |
0 |
0 |
0 |
0.000 |
15 |
|
[NAG]A:604 |
11 |
1 |
358 |
cf |
A |
x,y,z |
1_555 |
12 |
4 |
20238 |
122.2 |
3.3 |
0.345 |
3 |
0 |
0 |
0.000 |
16 |
|
[GOL]A:612 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
20238 |
119.5 |
-0.4 |
0.512 |
3 |
0 |
0 |
0.030 |
17 |
|
[SO4]A:614 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
26 |
9 |
20238 |
105.5 |
-15.6 |
0.727 |
4 |
0 |
0 |
0.300 |
18 |
|
[FUC]A:605 |
8 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
20238 |
105.2 |
2.5 |
0.424 |
2 |
0 |
0 |
0.000 |
19 |
|
[PEG]A:629 |
7 |
1 |
261 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
20238 |
104.4 |
2.6 |
0.294 |
5 |
0 |
0 |
0.000 |
20 |
|
[SO4]A:616 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
20238 |
100.9 |
-13.6 |
0.883 |
3 |
0 |
0 |
0.259 |
21 |
|
[GOL]A:613 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
20238 |
96.9 |
-0.6 |
0.479 |
1 |
0 |
0 |
0.019 |
22 |
|
[SO4]A:619 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
20238 |
89.9 |
-13.0 |
0.823 |
4 |
0 |
0 |
0.255 |
23 |
|
[SO4]A:615 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
20238 |
89.1 |
-12.9 |
0.876 |
4 |
0 |
0 |
0.253 |
24 |
|
[NAG]A:606 |
11 |
1 |
358 |
cf |
A |
x,y,z |
1_555 |
11 |
4 |
20238 |
85.5 |
2.7 |
0.281 |
0 |
0 |
0 |
0.000 |
25 |
|
[NAG]A:608 |
10 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
13 |
3 |
20238 |
82.8 |
1.8 |
0.305 |
0 |
0 |
0 |
0.000 |
26 |
|
[NAG]A:610 |
7 |
1 |
362 |
cf |
[NAG]A:609 |
x,y,z |
1_555 |
7 |
1 |
361 |
73.0 |
1.8 |
0.113 |
1 |
0 |
0 |
0.000 |
27 |
|
[92H]A:626 |
7 |
1 |
723 |
cf |
[SO4]A:618 |
-y,x,z |
3_555 |
5 |
1 |
185 |
72.5 |
-10.6 |
0.901 |
0 |
0 |
0 |
0.129 |
28 |
|
[NAG]A:602 |
9 |
1 |
361 |
cf |
[NAG]A:601 |
x,y,z |
1_555 |
6 |
1 |
357 |
71.8 |
1.7 |
0.092 |
0 |
0 |
0 |
0.000 |
29 |
|
[FUC]A:603 |
6 |
1 |
282 |
cf |
[NAG]A:601 |
x,y,z |
1_555 |
7 |
1 |
357 |
65.4 |
2.3 |
0.174 |
0 |
0 |
0 |
0.000 |
30 |
|
[CL]A:622 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
20238 |
64.5 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.141 |
31 |
|
[SO4]A:620 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
20238 |
60.2 |
-9.4 |
0.467 |
1 |
0 |
0 |
0.147 |
32 |
|
[FUC]A:611 |
5 |
1 |
278 |
cf |
[NAG]A:609 |
x,y,z |
1_555 |
5 |
1 |
361 |
59.1 |
2.3 |
0.282 |
0 |
0 |
0 |
0.000 |
33 |
|
[MES]A:625 |
9 |
1 |
338 |
◊ |
A |
y,x,-z+1 |
7_556 |
4 |
2 |
20238 |
57.0 |
2.8 |
0.030 |
0 |
0 |
0 |
0.000 |
34 |
|
[FUC]A:603 |
4 |
1 |
282 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
20238 |
56.5 |
1.4 |
0.479 |
0 |
0 |
0 |
0.000 |
35 |
|
[SO4]A:620 |
5 |
1 |
185 |
◊ |
A |
-x,y,-z+1 |
5_556 |
12 |
4 |
20238 |
55.7 |
-7.8 |
0.343 |
0 |
0 |
0 |
0.117 |
36 |
|
[NAG]A:602 |
4 |
1 |
361 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
20238 |
53.9 |
1.3 |
0.529 |
1 |
0 |
0 |
0.000 |
37 |
|
[1PG]A:628 |
6 |
1 |
506 |
f |
[GOL]A:613 |
x,y,z |
1_555 |
5 |
1 |
219 |
50.5 |
0.7 |
0.154 |
1 |
0 |
0 |
0.000 |
38 |
|
[SO4]A:618 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
20238 |
50.0 |
-5.2 |
0.938 |
2 |
0 |
0 |
0.072 |
39 |
|
[92H]A:626 |
4 |
1 |
723 |
cf |
[SO4]A:617 |
-y,x,z |
3_555 |
5 |
1 |
186 |
48.8 |
-7.1 |
0.873 |
0 |
0 |
0 |
0.087 |
40 |
|
[SO4]A:620 |
5 |
1 |
185 |
f |
[SO4]A:620 |
-x,y,-z+1 |
5_556 |
5 |
1 |
185 |
48.6 |
-10.4 |
0.993 |
0 |
0 |
0 |
0.100 |
41 |
|
[FUC]A:605 |
3 |
1 |
279 |
cf |
[NAG]A:604 |
x,y,z |
1_555 |
2 |
1 |
358 |
46.2 |
1.4 |
0.450 |
0 |
0 |
0 |
0.000 |
42 |
|
[CL]A:623 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
20238 |
45.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.085 |
43 |
|
[CL]A:621 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
20238 |
44.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.092 |
44 |
|
[SO4]A:617 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
20238 |
44.7 |
-4.2 |
0.981 |
1 |
0 |
0 |
0.054 |
45 |
|
[FUC]A:611 |
4 |
1 |
278 |
f |
[NAG]A:610 |
x,y,z |
1_555 |
6 |
1 |
362 |
44.6 |
2.3 |
0.246 |
0 |
0 |
0 |
0.000 |
46 |
|
A |
5 |
3 |
20238 |
◊ |
[SO4]A:617 |
-y,x,z |
3_555 |
5 |
1 |
186 |
44.5 |
-5.7 |
0.593 |
1 |
0 |
0 |
0.075 |
47 |
|
[FUC]A:603 |
3 |
1 |
282 |
f |
[NAG]A:602 |
x,y,z |
1_555 |
6 |
1 |
361 |
37.5 |
1.9 |
0.257 |
0 |
0 |
0 |
0.000 |
48 |
|
[SO4]A:618 |
4 |
1 |
185 |
◊ |
[NAG]A:607 |
x,y,z |
1_555 |
6 |
1 |
364 |
36.7 |
-3.8 |
0.397 |
1 |
0 |
0 |
0.050 |
49 |
|
[NAG]A:610 |
6 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
20238 |
33.8 |
0.2 |
0.126 |
0 |
0 |
0 |
0.000 |
50 |
|
[CL]A:621 |
1 |
1 |
125 |
◊ |
A |
y,x,-z+1 |
7_556 |
6 |
2 |
20238 |
33.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.066 |
51 |
|
A |
3 |
1 |
20238 |
◊ |
[PEG]A:629 |
-y,x,z |
3_555 |
1 |
1 |
261 |
22.1 |
-0.3 |
0.343 |
1 |
0 |
0 |
0.010 |
52 |
|
[PEG]A:629 |
3 |
1 |
261 |
f |
[SO4]A:615 |
x,y,z |
1_555 |
1 |
1 |
185 |
15.6 |
-1.4 |
0.331 |
0 |
0 |
0 |
0.025 |
53 |
|
[92H]A:626 |
3 |
1 |
723 |
◊ |
[NAG]A:607 |
-y,x,z |
3_555 |
2 |
1 |
364 |
15.2 |
0.0 |
0.457 |
0 |
0 |
0 |
0.000 |
54 |
|
[1PG]A:628 |
2 |
1 |
506 |
◊ |
A |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
4 |
1 |
20238 |
12.9 |
-0.2 |
0.224 |
0 |
0 |
0 |
0.000 |
55 |
|
[PEG]A:629 |
3 |
1 |
261 |
f |
[FUC]A:605 |
x,y,z |
1_555 |
1 |
1 |
279 |
7.1 |
0.0 |
0.160 |
0 |
0 |
0 |
0.000 |
56 |
|
A |
3 |
2 |
20238 |
◊ |
[SO4]A:618 |
-y,x,z |
3_555 |
2 |
1 |
185 |
7.0 |
-0.9 |
0.704 |
0 |
0 |
0 |
0.010 |
57 |
|
A |
1 |
1 |
20238 |
◊ |
A |
y,x,-z |
7_555 |
1 |
1 |
20238 |
4.8 |
-0.2 |
0.290 |
0 |
0 |
0 |
0.000 |
58 |
|
[MES]A:624 |
2 |
1 |
334 |
f |
A |
-x,y,-z+1 |
5_556 |
1 |
1 |
20238 |
3.9 |
0.3 |
0.218 |
0 |
0 |
0 |
0.000 |
59 |
|
[FUC]A:603 |
1 |
1 |
282 |
◊ |
A |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
1 |
1 |
20238 |
3.9 |
0.1 |
0.408 |
0 |
0 |
0 |
0.000 |
60 |
|
[MES]A:625 |
1 |
1 |
338 |
f |
[MES]A:624 |
x,y,z |
1_555 |
1 |
1 |
334 |
3.6 |
0.2 |
0.204 |
0 |
0 |
0 |
0.000 |
61 |
|
[1PG]A:628 |
1 |
1 |
506 |
◊ |
[GOL]A:613 |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
1 |
1 |
219 |
3.4 |
-0.0 |
0.297 |
0 |
0 |
0 |
0.000 |
62 |
|
A |
2 |
1 |
20238 |
◊ |
[NAG]A:604 |
-y,x,z |
3_555 |
2 |
1 |
358 |
1.1 |
0.0 |
0.342 |
0 |
0 |
0 |
0.000 |
|