Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTNLLEDLSFRGLIQQMTDE-EGLNKQLNEEKIRLYSGFDPTADSLHIGHLLPILTLRRFQLAGHHPIALVGGATGLIGDPSGKKAERTLNTADIVSEWSQKIKNQLSRFLDFEAAENPAVIANNFDWIGKMNVIDFLRDVGKNFGINYMLAKDTVSSRIE-SGISYTEFSYMILQSYDFLNLYRDKNCKLQIGGSDQWGNITAGLELIRKSEEEGAKAFGLTIPLVTKADGTKFGKTEG-GAIWLDKEKTSPYEFYQFWINTDDRDVVKYLKYFTFLSKEEIEAYAEKTETAPEKREAQKRLAEEVTSLVHGREALEQAINISQALFSGNI-KELSAQDVKVGFKDVPSMEVDSTQELSLVDVLVQSKLSPSKRQAREDIQNGAVYINGERQTEINYTLSGEDRIENQFTVLRRGKKKYFLVTYK 2JAN Chain:A ((5-422)) ---ILDELSWRGLIAQSTDLDTLAAEA-QRGPMTVYAGFDPTAPSLHAGHLVPLLTLRRFQRAGHRPIVLAGGATGMIGDPRD-VGERSLNEADTVAEWTERIRGQLERFVDFDDSPMGAIVENNLEWTGSLSAIEFLRDIGKHFSVNVMLARDTIRRRLAGEGISYTEFSYLLLQANDYVELHRRHGCTLQIGGADQWGNIIAGVRLVRQKLG--ATVHALTVPLVTAADGTKFGKSTGGGSLWLDPQMTSPYAWYQYFVNTADADVIRYLRWFTFLSADELAELEQATAQRPQQRAAQRRLASELTVLVHGEAATAAVEHASRALFGRGELARLDEATLAAALRETTVAELKPGSPDGIVDLLVASGLSASKGAARRTIHEGGVSVNNIRVDNEEWVPQSSDFLHGRWLVLRRGKRSIAGVER-

General information: TITO was launched using: RESULT: Template: 2JAN.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 : 1885 20926 11.10 50.55 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : 11.10 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_2JAN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2JAN-query.scw PDB file : Tito_Scwrl_2JAN.pdb: