Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MATIDLPDNLVQTLSLVLNQLQQVLPEPKQETDFTAPAFRWENQQLKAIYTPKNIYLDDLKGIERQKEKIIQNTLQFL--------NGLPANDVLLTGSRGTGKSSIVRALLTEYAPQGLRLIEIERDDLA---------DLPKIQKIIQNRPEKYIVYCDDLAFNAEDE--N---YRSLKSVLDGSLQSGSTNFIIYATSNRRHLLPEFMHENTPVTKVDVPQYTELHPQEAIEEKISLSDRFGLWLSFYPMDQNLYLEIVEHYLDKANMPFNDEVRAESLRWCQMRGQRSGRAAYQFSKHWIGLNALKDLSNN 4WW0 Chain:B ((13-236)) ----------------------------------------------------PKVTFKDVAGIEEVKEEVKEIIEYLKDPVKFQKLGGRPPKGVLLYGEPGVGKTLLAKAIAGEA---HVPFISVSGSDFVEMFVGVGAARVRDLFETAKK-HAPCMIFIDEIDAVGR--DEREQTLNQLLVEMDGFD--TSDGIIVIAATNRPDILDPALLR---------------------------PGRFDRQIFIPKPDVRGRYEILKVHARNKK---------------------------------------------

General information: TITO was launched using: RESULT: Template: 4WW0.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 792 -4554 -5.75 -28.29 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : -5.75 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.440

(partial model without unconserved sides chains): PDB file : Tito_4WW0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WW0-query.scw PDB file : Tito_Scwrl_4WW0.pdb: