Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEALTFESKYALLYLGGGLLAMIYGLITFFMAFPAFTSRGNVIFTIKTGPSGEIFLRKRSVLFSEVKRLYMGRHQYSLKGIFFEDIIIEKTDG----KIVRIPTWNIITNPLFFEAVERYILPHLNEEAQNNWISQFTEVQRKAYLKEFENHPKL 2CAY Chain:A ((73-138)) ---------------------------------------------------------NSLGLELDDLAYVNYSSGFLT--R--SPRLILFFKDPSSSTEFVQLSFRK-SDGVLFSQATER---------ALENILTE-------------------

General information: TITO was launched using: RESULT: Template: 2CAY.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 : 184 -22146 -120.36 -357.19 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : -120.36 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.259

(partial model without unconserved sides chains): PDB file : Tito_2CAY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2CAY-query.scw PDB file : Tito_Scwrl_2CAY.pdb: