Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQILEHIVGIANDL-LWSKLLIVLLLSFGIYFTFRLKFLQVRMLKEMVRVLREGAASRSKNSISPFQAFCISMAARVGTGNITGIAIAIALGGPGAIFWMWIIAIIGSASSFVESTLAQIYKVKDVNGFRGGPAYYMEKGLNKRWMGALFAVLITLSFGIVFNSVQSNTVSLAFENAFGTNRLTLGLILIAVFGTIIFGGVKRIAKLAESIVVVLAVLYIGVAFFVIFSNITQLPGVLALIVKNAFGFDQAAGGALGAALMQGVRRGIFSNEAGMGSAPNAAATATTSHPVKQGLIQAFGVLTDTLVICTSTA---FIILFSDAYHTPGLSGIALTQASLSSHVGSWASGFLAILILLFGFCALIGNYYYGETNIGFLNKSKKLIFVYRIGVLAMIVFGCVAKVQLVWDLADLFMGLMVIVNLIAIFLLSKVVFTALKDYTRQKKAGKDPVFYKDVLKNHNGIECWPVSDTKTDTHNKQIS 4B3X Chain:A ((1-363)) MAK--VRIYQLAKELGMETQELLELLDQMGVAYKSHASTLEEKDAEAVRELVKEQRGLQEKLAEEERRK---SLPRR----------------PP-------VVVIMGHVDHGKTTLLDYLRKSRIAEKEGGGI---------TQHVG---AFEVKTPQGTVVFIDTPGHEAFTTIRQRGAKVADIAVIVIAADDGIM-------PQTEEAIAHAKA------------------AGAKLIFAINKIDLPQADPEKVKRQLME---RGFVPEEYG-GDAIVIPISAKTGQGVQDLLEMILLLAELEDYRADPNAEPRGVILESKLDKQAGIIANMLVQE------GTFRVGDYVVAGEAYGRIRAMMDADGNQRKEAGPGS-----AVQVLGFQELPHAG--DVVEWVPD------------------------LEAAKEIAEERKEERKAREEEE-------------KARRPRTMAELLR

General information: TITO was launched using: RESULT: Template: 4B3X.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 : 1696 -238734 -140.76 -665.00 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -140.76 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.266

(partial model without unconserved sides chains): PDB file : Tito_4B3X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4B3X-query.scw PDB file : Tito_Scwrl_4B3X.pdb: