Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTQISIAIDGPASSGKSTVAKILAKELNYIYTDTGAMYRAVTYLAITNNVSFSDEEGLVSLIKKYPISFSQQEDGQHVFIASKDVTLEIRQPDVTKAVSEVSAHGKVREELVAVQRKIGE-RGGVVMDGRDIGTAVLPNAEVKIFLVASVSERAERRFKENQEKGIPTDLETLTKEIQERDHYDSTRDVSPLKQAEDAVRIDTTGKSIPEVVAAIKAVVLKKGYLLF 3W90 Chain:A ((5-204)) -----VTIDGPSASGKSSVARRVAAALGVPYLSSGLLYRAAAFLALRAGV-----EGLLALLEGLGVRLLAQAEGNRVLADGEDLTSFLHTPEVDRVVSAVARLPGVR---AWVNRRLKEVPPPFVAEGRDMGTAVFPEAAHKFYLTASPEVRAWRRARE-------QAYEEVLRDLLRRDERDKAQSAP----APDALVLDTGGMTLDEVVAWVLA----------

General information: TITO was launched using: RESULT: Template: 3W90.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 -69679 -76.32 -362.91 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -76.32 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.535

(partial model without unconserved sides chains): PDB file : Tito_3W90.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W90-query.scw PDB file : Tito_Scwrl_3W90.pdb: