Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLLMLTTGGTIASVEGENGLAPGVKADELLSYVSKLDNDYTMETQSLMNIDSTNMQPEYWVEIAEAVKENYDAYDGFVITHGTDTMAYTSAALSYMLQHAKKPIVITGSQIPITFQKTDAKKNITDAIRFACEGVGGVYVVFDGRVIQGTRAIKLRTKSYDAFESINYPYIAFINEDGIEYNKQVTEPENDTFTVDTSLCTDVCLLKLHPGLKPEMFDALKSMYKGIVIESYGSGGVPFEGRDILSKVNELIESGIVVVITTQCLEEGEDMSIYEVGRRVNQDLIIRSRNMNTEAIVPKLMWALGQSSDLPVVKRIMETPIADDVVL 4RA9 Chain:A ((23-202)) -MKILLIGMGGTIASVKGENGYEASLSVKEVLDIAG-IKDCEDCDFLDLKNVDSTLIQPEDWVDLAETLYKNVKKYDGIIVTHGTDTLAYTSSMISFMLRNPPIPIVFTGSMIPATEENSDAPLNLQTAIKFATSGIRGVYVAFNGKVMLGVRTSKVRTMSRDAFESINYPIIAELRGEDLV---------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4RA9.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 : 1043 -138830 -133.11 -771.28 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -133.11 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.473

(partial model without unconserved sides chains): PDB file : Tito_4RA9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RA9-query.scw PDB file : Tito_Scwrl_4RA9.pdb: