Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELAGFMLRACALLLDVIIAAAVILAAGFTFGDGSAGVIIVAILMLIVY-PLLMPLTNWKGTLGKKIIGLQIVRDETYKKISFPQAIVRYLIAWVHVFSRLIYLTAAFTKKKQTVHDMAAKTIVLKAE 2GRG Chain:A ((1-98)) --------MKSSIPITEVLPRAV---GSLTFDENYNLLDTSGVAKVIEKSPIAEIIRKSNAELGR--LGYSVYEDAQY---------------IGHAFKKAGHFIVYFTPKNKNREGVVPPVGITN--

General information: TITO was launched using: RESULT: Template: 2GRG.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 : 437 -73834 -168.96 -761.18 target 2D structure prediction score : 0.28 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -168.96 2D Compatibility (Sec. Struct. Predict.) : 0.28 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.219

(partial model without unconserved sides chains): PDB file : Tito_2GRG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GRG-query.scw PDB file : Tito_Scwrl_2GRG.pdb: