Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTQISIAIDGPASSGKSTVAKILAKELNYIYTDTGAMYRAVTYLAITNNVSFSDEEGLVSLIKKYPISFSQQEDGQHVFIASKDVTLEIRQPDVTKAVSEVSAHGKVREELVAVQRKIGE-RGGVVMDGRDIGTAVLPNAEVKIFLVASVSERAERRFKENQEKGIPTDLETLTKEIQERDHYDSTRDVSPLKQAEDAVRIDTTGKSIPEVVAAIKAVVLKKGYLLF 3AKC Chain:A ((5-204)) -----VTIDGPSASGKSSVARRVAAALGVPYLSSGLLYRAAAFLALRAGVDPGDEEGLLALLEGLGVRLLAQAEGNRVLADGEDLTSFLHTPEVDRVVSAVARLPGVR---AWVNRRLKEVPPPFVAEGRDMGTAVFPEAAHKFYLTASPEVRAWRRARER-----PQAYEEVLRDLLRRDERDKAQSAP----APDALVLDTGGMTLDEVVAWVLA----------

General information: TITO was launched using: RESULT: Template: 3AKC.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 : 1029 -56747 -55.15 -285.16 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -55.15 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.431

(partial model without unconserved sides chains): PDB file : Tito_3AKC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AKC-query.scw PDB file : Tito_Scwrl_3AKC.pdb: