Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MATIDLPDNLVQTLSLVLNQLQQVLPEPKQETDFTAPAFRWENQQLKAIYTPKNIYLDDLKGIERQKEKIIQNTLQFLN--------GLPANDVLLTGSRGTGKSSIVRALLTEYAPQGLRLIEIERDDLAD----LPKIQKIIQNRPEKYIVYCDDLAFNAEDEN------YRSLKSVLDGSLQSGSTNFIIYATSNRRHLLPEFMHENTPVTKVDVPQYTELHPQEAIEEKISLSDRFGLWLSFYPMDQNLYLEIVEHYLDKANMPFNDEVRAESLRWCQMRGQRSGRAAYQFSKHWIGLNALKDLSNN 3VFD Chain:A ((110-302)) ----------------------------------------------------TAVKFDDIAGQDLAKQALQEIVILPSLRPELFTGLRAPARGLLLFGPPGNGKTMLAKAVAAES---NATFFNISAASL--GEKLVRALFAVARE-LQPSIIFIDQVDSLL----DASRRLKTEFLIEFDGVQ-----RVLVMGATNRPQELDEAV-----------------------------LRRFIKRVYVSLPNEETRLLLLKNLLCKQG---------------------------------------------

General information: TITO was launched using: RESULT: Template: 3VFD.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 : 712 -9849 -13.83 -64.80 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -13.83 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.520

(partial model without unconserved sides chains): PDB file : Tito_3VFD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VFD-query.scw PDB file : Tito_Scwrl_3VFD.pdb: