Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MARLEQLGYHARAARRGSEIDAEAATAIVRRHLGHLGDGLTVIRQRKLYGGSINRVIEWTVRDATGRDRPLVAKVNNLRSAKLFRREMASLEVYRTQTDLPVPRPLAYLEDEPEFDGSGLLMQRIDGVNLSEAKVTPAGMRLLQRDLAGHVVALHSHHRSAYGTALEPT-GPRRWLDSFGPVIGEEFFRVRDAIPSATREV---IDDIVKNLEVWLPEQS-TPTLVHGDLW-SNNILVDDRHPDRPEILAFIDVSASYC-DPEYELAYLRMFQTADDSFFERYRRRHPLRSGFSRRCRVYWLNTMM-MHVRVFGDR--YLPQLEDIVRQIRTLG 3JR1 Chain:A ((31-306)) ----------------------------------QFGAYYFIKHKEKLYSGEMNEI--WLINDEV---QTVFVKINERSYRSMFRAEADQLALLAKTNSINVP--LVYGIGNSQ-GHSFLLLEALNKSKNKQSSFTIFAEKIAQL----HQIQGPDKYGLDFDTWLGPIYQPNDWQTSWAKFFSENRIGWQLQICKEKGLIFGNIDLIVQIVADTLSKHNPKPSILHGNLWIENCIQVDDK--------IFVCNPACYWGDRECDIAFSSLFEPFPTNFYQRYNEIYPLEEGYLERKLIYQLYYLLNFSYRYYNKKQSYVSLTQKLINQI----

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 : 1283 -51656 -40.26 -194.19 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -40.26 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.330

(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: