TestHbonds

• .

nc = {[NAD]}.chainNo.min; define ligOne [NAD] and chainNo=nc; nc = {ligOne}.resNo.min; define ligOne ligOne and resNo=nc;

define ligContact within(3.5, ligOne) and protein;

define ligContact within(group,ligContact); select ligContact and (hydrogens); hide selected; select ligContact and sidechain; color cpk; select ligContact and (sidechain,alpha); wireframe 0.3; select ligContact and *.CB; label %m%r; background label yellow; color labels black; zoomTo 0.5 { (ligOne , ligContact )} 0 *0.8; select all;

• Script used for .

nc = {[NAD]}.chainNo.min; define ligOne [NAD] and chainNo=nc; nc = {ligOne}.resNo.min; define ligOne ligOne and resNo=nc;

define ligContact within(3.5, ligOne) and protein;

define ligContact within(group,ligContact); select ligContact and (hydrogens); hide selected; select ligContact and sidechain; color cpk; select ligContact and (sidechain,alpha); wireframe 0.3; select ligContact and *.CB; label %m%r; background label yellow; color labels black; zoomTo 0.5 { (ligOne , ligContact )} 0 *1.5;

• Script used for .

nc = {[NAD]}.chainNo.min; define ligOne [NAD] and chainNo=nc; nc = {ligOne}.resNo.min; define ligOne ligOne and resNo=nc;

define ligContact within(3.5, ligOne) and protein;

select ligOne and (hydrogens); hide selected; define ligContact within(group,ligContact); select ligContact and (hydrogens); hide selected; select ligContact and sidechain; color cpk; select ligContact and (sidechain,alpha); wireframe 0.2; select ligContact and *.CB; label %m%r; background label yellow; color labels black; select ligContact and (carbons) and (sidechain); color magenta; zoomTo 0.5 { (ligOne , ligContact )} 0 *1.5;

• Script used for .