Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MARLEQLGYHARAARRGSEIDAEAATAIVRRHLGHLGDGLTVIRQRKLYGGSINRVIEWTVRDATGRDRPLVAKVNNLRSAKLFRREMASLEVYRTQTDLPVPRPLAYLEDEPEFDGSGLLMQRIDGVNLSEAKVTPAGMRLLQRDLAGHVVALHSHHRS-AYGTALE--------PTGP-RRWLDSFGPVI-G--EEFFRVRDAIPSATREVIDDIVKNLEVWLPE-QSTPTLVHGDLWSNNILVDDRHPDRPEILAFIDVSASYCDPEYELAYLRMFQTADDSFFERYRRRHPLRSGFSRRCRVYWLNTMMMHVRVFG---DRYLPQLEDIVRQIRTLG 3JR1 Chain:A ((14-306)) --------------NLYFQGMWKSISQVLAEQFGAYY---FIKHKEKLYSGEMNEIWLINDE-----VQTVFVKINERSYRSMFRAEADQLALLAKTNSINVPLVYGIGNS---QGHSFLLLEALNKSKNK---------QSSFTIFAEKIAQLHQIQGPDKYGLDFDTWLGPIYQPNDWQTSWAKFFSENRIGWQLQICKEKGL----IFGNIDLIVQIVADTLSKHNPKPSILHGNLWIENCIQVDD-----KIF-VCNPACYWGDRECDIAFSSLFEPFPTNFYQRYNEIYPLEEGYLERKLIYQLYYLLNFSYRYYNKKQSYVSLTQKLINQI----

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 : 1367 -61842 -45.24 -224.06 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -45.24 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.371

(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: