Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGNVPEAPLADPWLAYFAER-GHRDVRRVGAGVEGVVYRLG---EGRVAKVWSGRPPAEFELTREVYADLARHPLPFAVPEIFDVEHHEGVLVTYERELPGVSMRADSAQANYERKLPTRDSDALLAVLRGLASVPGTD-AMRRLTVQ-GDDRPLWRDHDDFRDALAA-LVARAVTRHGAALARCVPDFAAGVERTQKALRSLPDAPVAAIHGDLVPPNIHIDAAGRPVAVLDFGFHTTAGDPAFEAAVTAAIWDMYGPHAAEHTEELTRLCAHELGYA-PATLTTYQAAYALTTYDLFGLGDDDGHFRWCAEQLRRNAVFTA 3JR1 Chain:A ((18-303)) --QGMWKSISQVLAEQFGAYYFIKHKEKLYSGEMNEIWLINDEVQTVFVKINERSYRSMFRAEADQLALLAKT-NSINVPLVYGIGNSQGHSFLLLEALNKSKNK-------------QSSFTIFAEKIAQLHQIQGPDKYGLDFDTWLGPIYQPNDWQTSWAKFFSENRIGWQLQICKEKGLI-FGNIDLIVQIVADTLSK-HNPKPSILHGNLWIENCIQVD-DKI-FVCNP-A-CYWGDRECDIAFSSLF---E--PFPTNFYQRYNE-IYPLEEGYLERKLIYQLYYLLNFSYRYYN-KKQSYVSLTQKLI--------

General information: TITO was launched using: RESULT: Template: 3JR1.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 : 1374 -10785 -7.85 -38.79 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -7.85 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.349

(partial model without unconserved sides chains): PDB file : Tito_3JR1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3jr1-query.scw PDB file : Tito_Scwrl_3JR1.pdb: