Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQAIEKRNSLFNSLTQAVFDKNMANFWLQKINPLWSVQHGLVQIVKKEFVAHDTVSLTLKCNRLVKMGAAGQHHPVIVEIAGRRYERTYSLTQIDAEHLRLTVKKVADGIVSNWFIAESKIGDVFELGQPYGDMQQNIQTPKLIMLAAGSGITPMLSLITAIKQSQQLEKTQVQLLYWVKQRS--DAAFTEYFEQVAEQNPNFSYQVFYTQETPNDER----------LNAEHLALVDGIENSTVYACGPSGFISTVEQLFEKAPTVLTEAFSLINESSADDIGYVNVTLTQSNKVIAIPKGQSILVSLEHEGLKPTHGCRMGICNKCVCSKTQGSTRNLLNGSQNTEPSQLLKICVNSAQSDLVIDL 4P6V Chain:F ((248-380)) ------------------------------------------------------------------------------------------------------------------YIWSLKAGDKCTISGPFGEFFAKDTDAEMVFIGGGAGMAPMRSHI--FDQLKRL-KSKRKMSYWYGARSKREMFYVEDFDGLAAENDNFVWHCALSDPQPEDNWTGYTGFIHNVLYENYLKDHEAPEDCEYYMCGP----------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4P6V.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 407 -17970 -44.15 -148.51 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain F : 0.60 3D Compatibility (PKB) : -44.15 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.541

(partial model without unconserved sides chains): PDB file : Tito_4P6V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4P6V-query.scw PDB file : Tito_Scwrl_4P6V.pdb: