Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MATIDLPDNLVQTLSLVLNQLQQVLPEPKQETDFTAPAFRWENQQLKAIYTPKNIYLDDLKGIERQKEKIIQNTLQFLN--------GLPANDVLLTGSRGTGKSSIVRALLTEYAPQGLRLIEIERDDLA---------DLPKIQKIIQNRPEKYIVYCDDLAFNAEDE----------NYRSLKSVLDGSLQ-SGSTNFIIYATSNRRHLLPEFMHENTPVTKVDVPQYTELHPQEAIEEKISLSDRFGLWLSFYPMDQNLYLEIVEHYLDKANMPFNDEVRAESLRWCQMRGQRSGRAAYQFSKHWIGLNALKDLSNN 2DHR Chain:E ((25-217)) ---------------------------------------------------APKVTFKDVAGAEEAKEELKEIVEFLKNPSRFHEMGARIPKGVLLVGPPGVGKTHLARAVAGEA---RVPFITASGSDFVEMFVGVGAARVRDLFETAKR-HAPCIVFIDEIDAVGRKRGSGVGGGNDEREQTLNQLLVEMDGFEKDTAIVVMAATNRPDILDPALLR---------------------------PGRFDRQIAIDAPDVKGREQILRIHARGK----------------------------------------------

General information: TITO was launched using: RESULT: Template: 2DHR.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 728 11977 16.45 72.58 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain E : 0.63 3D Compatibility (PKB) : 16.45 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.413

(partial model without unconserved sides chains): PDB file : Tito_2DHR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DHR-query.scw PDB file : Tito_Scwrl_2DHR.pdb: