restrict none set hermitelevel 4 moveto 0.0 { -598 -737 -316 53.1} 156.4 0.0 0.0 {9.914773 14.689297 17.652954} 36.9; select protein backbone 0.3 color group select [nad] color cpk wireframe 0.3 select atomno=1896 label "NAD" set labelfront set labelpointer on font label 16 sans bold color label black set labeloffset 10 1 set echo line1 50% 99% set echo line1 center color echo [x9ab9a4] echo Alcohol Dehydrogenase font echo 16 sans bold set dotsSelectedOnly true hover Amino acid: %m (%n)|Sequence number: %r|Atom: %e; hover on select protein isosurface adhsurface ignore(not protein) sasurface 0.4 color isosurface white # hydrophobic interactions ------------------------- select nad define ~target selected select not selected and not solvent define ~non_target selected select (~non_target and (carbon,sulfur,selenium) and within(4.0, (~target and (carbon,sulfur,selenium)))) define ~nontarget_phobic selected define ~aas within(group,~nontarget_phobic) select (~target and (carbon,sulfur,selenium) and within(4.0, (~non_target and (carbon,sulfur,selenium)))) define ~target_phobic selected select ~target_phobic or ~nontarget_phobic define ~all_phobic selected connect 4.5 (~target_phobic) (~nontarget_phobic) hbond modifyOrCreate # hbonds -------------------------------- select nad define ~target selected wireframe 0.3 select not selected and not solvent define ~non_target selected select (~non_target and (oxygen, nitrogen) and within(3.5, (~target and (oxygen, nitrogen)))) define ~nontarget_hbonders selected define ~aas within(group,~nontarget_hbonders) select (~target and (oxygen, nitrogen) and within(3.5, (~non_target and (oxygen, nitrogen)))) define ~target_hbonders selected select ~target_hbonders or ~nontarget_hbonders define ~all_hbonders selected #center nad or selected; connect 3.5 (~target_hbonders) (~nontarget_hbonders) hbond modifyOrCreate select all hbonds off