Iso-energetic multiple conformations of hypermodified nucleic acid base wybutine (yW) which occur at 37th position in anticodon loop of tRNAPhe

► Conformational preferences of wybutine (yW) have been investigated theoretically. ► Wybutine side chain shows multiple iso-energetic conformations. ► Different conformations of wybutine may have certain implications on frameshifting. ► This study is important to understand role of wybutine in diseases like Cancer and HIV.