Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDAAIDGRAQSAE-ERMLRDALGEQLEGELRIISREPFGGGA-LTGFEELSPQARYWYVDTSGKRVEAETGFVLGDPGRPDARIWLHPADPRLPALAPASFPAAAATLMGRLGVSIDRPPELLVYRPGKRAMFRMRAGERETYLKIVRPSASGSIVELQESLRAGGVPVPHITGWSELGIVLTETADGVPLTSRLAELEPDRLLDSIDALRERIAAVDTGRDARASLALRHDWYLARIDAALARAAEGDPAVAPSAVLRDHLAAVTAVVTGADASALVVDEAERRTIHGDLHVGQLFVDADDASAIAGVIDIDTAGLGDPADDEAALIAHLIASIALARRDEGRSAGFRRLLDAAAARWLAPGRPGRARVAHRTAVHVLAHALAPIERGDLETAEVELALGRDILRDADERPLI 3JR1 Chain:A ((14-309)) -------NLYFQGMWKSISQVLAEQFGAYYFIKHKEKLYSGEMNEIWLINDEVQTVFVKINERSYRSM-----------------FRAEADQLALLAKTN--------------SINVPLVYGIGNSQGHSFLLLEALNKSKNKQSSFTIFAEKIAQLHQI-----------QGPDKYGLDFDTWLGPIYQPNDWQT-------SWAKFFSEN-----------------------RIGWQLQICKEKGLIFGNIDLIVQIVADTLS--KHNPKPSIL---------HGNLWIENCIQVDDKIFVC------------NPA----CYWGDRECDIAFSSLFEPFPTNFYQRYNEI--------YPLEEGYLERKLIYQLYYLLNFSYRYYNKKQSYVSLTQKLINQILHK----

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 : 1468 39145 26.67 133.15 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 26.67 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.228

(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: