Table 1

Summary of water related properties of interfaces.

Interaction type

OBa

NOb

BIOc

CPd

All


No. of interfaces

206

160

366

522

888

avg. No. of atoms

610.6 ± 354.2

318.0 ± 131.7

482.7 ± 314.9

186.0 ± 91.8

308.3 ± 259.1

avg. No. of water

28.68 ± 24.03

12.95 ± 9.72

21.80 ± 20.65

10.13 ± 8.46

14.94 ± 15.83

avg. wetness

0.044 ± 0.023

0.039 ± 0.021

0.042 ± 0.022

0.053 ± 0.031

0.049 ± 0.029

avg. WBL

1.577 ± 0.391

1.414 ± 0.281

1.506 ± 0.356

1.282 ± 0.267

1.374 ± 0.326

avg. polarity

0.366 ± 0.026

0.385 ± 0.027

0.374 ± 0.028

0.398 ± 0.038

0.388 ± 0.036

avg. rWBL

1.052 ± 0.172

1.084 ± 0.169

1.066 ± 0.171

1.134 ± 0.196

1.106 ± 0.189

avg. planarity

4.815 ± 1.547

3.960 ± 0.777

4.442 ± 1.337

3.354 ± 0.557

3.803 ± 1.098


Summary information of interfacial water molecules at three different types of interfaces. a: obligate interfaces, b: non-obligate interfaces, c: crystal packing interfaces

Li et al. BMC Bioinformatics 2012 13:51   doi:10.1186/1471-2105-13-51

Open Data