Example of the data format is:
# PDB file example.pdb # Target chain : I # Interacting chains : E # Cut-off for surface: 5.0 Percentage # Cut-off for interface 1.0 Angstrom^2 # ITF 1 - 1 I LYS 8 175.80 87.50 ITF 2 - 1 I SER 9 57.52 49.40 ITF 3 - 0 I PHE 10 5.63 2.80 ITF 4 - 1 I PRO 11 78.15 57.40
:
:
ITF 60 - 0 I PRO 67 4.48 3.30 ITF 61 + 1 I HIS 68 113.49 62.10 ITF 62 + 1 I VAL 69 21.95 14.50 ITF 63 + 1 I GLY 70 15.49 19.30
# # Interface resdieue = 17 # Interface ALL = 4227.36 # Interface BSA = 814.13 # Interface Polar BSA = 252.37 # Interface Non-Polar BSA = 561.76 # Interface Polarity = 31.00 # # chain I and resid 40 41 42 43 44 45 46 47 48 49 53 55 65 66 68 69 70 |
The text file of the data contains nine columns:
- record name "ITF"
- record number
- interface residue; + ... interface, − ... non interface
- surface residue; 1 ... surface, 0 ... non surface
- residue name
- residue number
- absolute solvent accessibility (SA; calculated by NACCESS)
- relative solvent accessibility (rSA; calculated by NACCESS)
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