Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNHSKTLLLTAAAGLMLTCGAVSSQAKHKLSDPYHFTVNAAAETEPVDTAGDAADDPAIWLDPKTPQNSKLITTNKKSGLVVYSLDGKMLHSYNTGKLNNVDIRYDFPLNGKKVDIAAASNRSEGKNTIEIYAIDGKNGTLQSMTDPDHPIATAINEVYGFTLYHSQKTGKYYAMVTGKEGEFEQYELKADKNGYISGKKVRAFKMNSQTEGMAADDEYGRLYIAEEDEAIWKFSAEPDGGSNGTVIDRADGRHLTRDIEGLTIYYAADGKGYLMASSQGNSSYAIYDRQGKNKYVADFRITDGPETDGTSDTDGIDVLGFGLGPEYPFGIFVAQDGENIDHGQKANQNFKIVPWERIADQIGFRPLANEQVDPRKLTDRSGK 1PBY Chain:B ((114-162)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PTRVALYDAETL-------SRRKAFEAPRQITMLAWARDGSKLYGLGRD--LHVMDPE--------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1PBY.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 135 -8400 -62.22 -171.42 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.56 3D Compatibility (PKB) : -62.22 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.294

(partial model without unconserved sides chains): PDB file : Tito_1PBY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1PBY-query.scw PDB file : Tito_Scwrl_1PBY.pdb: