Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKLLETTLLKQLKETHDDF--SIQNINSLHGGYLNHVFQINSN--LKPTVLWLNENKDSPKLSRQLIAIAILKKYFYSLIPDVYTSNRSSIGCYYIMSKLNGENLERTLPYLTTEEQIHFFKSMGHLLGNIHLIGSKEKVGYLDN----------LQRIPWKDWLGK-YINSLIQDLLSQESHHNNSKWLTVQNALINHL-EFID-EPNNFSFLHGDYYPGNILYTEDFISGLLDFEWSLYGDPLYDFRVMEVFIFREFPYHKEFYNSYQQVRKLPSDFYKTILFYAKVYQLELISMAYSCFSKDHYFIKNMEPDLINWASKNK 3JR1 Chain:A ((19-288)) ---GMWKSIS-QVLAEQFGAYYFIKHKEKLYSGEMNEIWLINDEVQTVFVKINERSYRSMFRAEADQLAL-LAKT-NSINVPLVYGIGNSQGHSFLLLEALNKSKNK-----------QSSFTIFAEKIAQLHQIQGPDKYGLDFDTWLGPIYQPNDWQTSWAKFFSENRIGWQLQICKEKGL------IFGNIDLIVQIVADTLSKHNPKPSILHGNLWIENCIQVDDK-IFVCNP-ACYWGDRECDIAFSSLFE----PFPTNFYQRYNEIYPLEEGYLERKLIYQLYYLLNFSYRY--------------------------

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 : 1185 -11787 -9.95 -46.59 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -9.95 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.317

(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: