Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKILTMKKVTKTFGSGHTKVSALKAIDFYVKEGEFVSIIGPSGSGKSTFLTISGGLQTPTSGEIVINGHSLTELPEKKRADLRFKEIGFILQSSNLIPFLTVKEQFELVDQVTSKKEDSTKIDSLLQSLDIQSLKNSYPK-------DLSGGERQRVAIARALYNEPSLILADEPTASLDTDHAYEVVKLLVKEAHEKQKATIMVTHDVRMIQWSDRVYRMEDGYLTEEEKKKE 5L22 Chain:A ((345-545)) -------------------KTPVLRNINMRILPGEFVAIIGPSGSGKSSLVRTILGIWLPVHGTVEIDGADLKQWDR----DYFGKFVGYLPQDIELFEG-TVAENIARFGELDSEKIIEAAKLSGAHDVIIK-LPDGYDTYIGPGGITLSGGQRQRIALARALYGNPRIVILDEPDSNLDEQGEQALYNALI-ELKKRKVTTIIVSHRIRLLNLVDKIAIMQDGTL--------

General information: TITO was launched using: RESULT: Template: 5L22.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 913 -25984 -28.46 -133.94 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -28.46 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.454

(partial model without unconserved sides chains): PDB file : Tito_5L22.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5L22-query.scw PDB file : Tito_Scwrl_5L22.pdb: