Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MARLEQLGYHARAARRGSEIDAEA-ATAIVRRHLGHLGDGLTVIRQRKLYGGSI-NRVIEWTVRDATGRDRPLVAKVNNLRSAKL-FRREMASLEVYRTQTDLPVPRPLAYLEDEPEFDGSGLLMQRIDGVNLSEAKVTPAGMRLLQRDLAGHVVALHSHHRSAYGTALEPTGPRRWLDSFGPVIGEEFFRVRDAIPSATRE-----VIDDIVKNLEVWLPE-QSTPTLVHGDLWSNNILVDDRHPDRPEILAFIDVSASYCDPEYELAYLRMFQTADDSFFERYRRRHPLRSGFSRRCRVYWLNTMMMHVRVFGDRYLPQLEDIVRQIRTLG-- 3JR1 Chain:A ((14-309)) ------------------NLYFQGMWKSISQVLAEQFGAYYF-IKHKEKLYSGEMNEIWLIN-----DEVQTVFVKINE-RSYRSMFRAEADQLALLAKTNSINVPLVYGIGNSQ---GHSFLLLEALNKSKNKQSSFTIFAEKIAQLHQIQGPDKYGLDFDTWLGPIYQPND---WQTSWAKFFSEN--RIGWQLQICKEKGLIFGNIDLIVQIVADTLSKHNPKPSILHGNLWIENCIQVD---DKIFVC---NPACYWGDRECDIAFSSLFEPFPTNFYQRYNEIYPLEEGYLERKLIYQLYYLLNFSYRYYNKKQSYVSLTQKLINQILHK

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 : 1406 13313 9.47 46.71 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 9.47 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.368

(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: