Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVLFFQIMVWCIVAGLGLYVYATWRFEAKVKEKMSAIRKTWYLLFVLGA--MVYWTYEPTSLF-THWERYLIVAVSFALIDAFIFLSAYVKKLAGSELETDTREILEENNEMLHMYLNRLKTYQYLLKNEPIH-VYYGSIDAYAEGIDKLLKTYADKMNLTASLCHYSTQADKDRLTEHMDDPADVQTRLDRKDVYYDQYGKVVLIPFTIETQNYVIKLTSDSIVTEFDYLLFTSLTSIYDLVLPIEEEGEG 2PYL Chain:A ((389-511)) -------------------LYGKFASNPDVTGKVPYLKENGALGFRLGEEETKDPVYTPMGVFITAWARYTTITAAQACYDRIIYCDTDSIHLTGTEIPDVIKDIVDPKKLGYWAHESTFKRAKYLRQKTYIQDIYMKEVDG--------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2PYL.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 : 275 -26463 -96.23 -222.37 target 2D structure prediction score : 0.26 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -96.23 2D Compatibility (Sec. Struct. Predict.) : 0.26 1D Compatibility (Hydrophobicity) : 0.58 QMean score : -0.075

(partial model without unconserved sides chains): PDB file : Tito_2PYL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PYL-query.scw PDB file : Tito_Scwrl_2PYL.pdb: