MSROLL, a program in the Molecular Surface Package (MSP), provides an accurate method to calculate molecular surface area. To calculate the buried surface area of interaction for a multimeric protein one first calculates the molecular or accessible surface area of each monomer and then the surface area of the oligomer. The sum of the monomer surface areas minus the oligomer surface area defines the buried surface area.
Listed below are the relevant records from the output of MSROLL for the pyrococcus woesei TATA-binding protein.
molecule name = pwtbp_mnra molecular area = 8671.963 accessible area = 9882.129 molecule name = pwtbp_mnrb molecular area = 8607.990 accessible area = 9719.247 molecule name = dimer molecular area = 15899.066 accessible area = 16782.808
From these results the buried accessible and molecular surface are as follows:
Accessible (9882 + 9719) - 16782 = 2819 Ų Molecular (8671 + 8607) - 15899 = 1379 Ų
Return to Post-structure Analysis
Revised: Tuesday, 20-Oct-1998 14:51:15 EDT