Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIAPRQGLFASLLIISFALHTFLLVIATTHQLNENRASQGQLMTSQLVADSLSELEPANTVSLALIANRYATNPSVASIRILDANKQVLATSGMSKTRQGEIFVRDALQNEKKVGSIEITLIQPSIGEILRTQWLAILASLFLHVLLWLAYRAIARPTRSEYLARINEENRLKHEIQELTQALALEKQNTVTLVAQAQQQAKVKPIVRSQPEKSLESTDQNTLALNIQFYDPKQLLSSV---NQSVSVPYFKLCQLFLNKSIELCTKHYHLKATDIDVVDEFHAEGATLAISTS--HPHAVECLLMVGTVFQLLSDVLYKRYREDKRFALQTRSA-------VCNAVE--A--MQI-DAKEAAQRLAQHLHAKESALYLDNEQLKAIQDSYQLVAMPNPSNVMTRHAFMINGMNAECAELAQNIRTEILMGKKSIPQNASPSSAAS 2WZ1 Chain:A ((6-165)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PAKRYDNVTI-LFSGIVGFNAFCSKHASG-AMKIVNLLNDLYTRFDTLTDSRK-------NPFVYKVETVGDKYMTVSGLPEPCIHHARSICHLALDMME----IAGQVQVD-GESVQITIGIHTGEVVTGVIGQRMPRYCLFGNTVNLTSRTETTGEKGKINVSE--YTYRCL-----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2WZ1.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 : 608 -26751 -44.00 -189.72 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -44.00 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.334

(partial model without unconserved sides chains): PDB file : Tito_2WZ1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WZ1-query.scw PDB file : Tito_Scwrl_2WZ1.pdb: