Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTHLQAKATLHNGVEMPWFGLGVFQVEEGSE---LVNAVKTAIVHGYRSIDTAAIYGNEAGVGEGIREGIEEAGISREDLFITSKVWNADLGYEETLAAFETSLSKLGLDYLDLYLIHWPV-------------EGKY-------KEAWRALETLYKEGRIKAIGVSNFQIHHLEDLMTAAEIK--PMINQVEFHPRLTQKELIRYCQNQGIQMEAWSPLMQGQ-----------LLDHPVLADIAQTYNKSVAQIILRWDLQHGIITIPKSTKEHRIKENASVFDFELTQDDMNRIDALNENLRVGPDPDNFDF 3CAQ Chain:B ((9-307)) -------RIPLSDGNSIPIIGLGTYSEPKSTPKGACATSVKVAIDTGYRHIDGAYIYQNEHEVGEAIREKIAEGKVRREDIFYCGKLWATNHVPEMVRPTLERTLRVLQLDYVDLYIIEVPMAFKPGDEIYPRDENGKWLYHKSNLCATWEAMEACKDAGLVKSLGVSNFNRRQLELILNKPGLKHKPVSNQVECHPYFTQPKLLKFCQQHDIVITAYSPLGTSRNPIWVNVSSPPLLKDALLNSLGKRYNKTAAQIVLRFNIQRGVVVIPKSFNLERIKENFQIFDFSLTEEEMKDIEALNKNVR----------

General information: TITO was launched using: RESULT: Template: 3CAQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1289 -6999 -5.43 -26.61 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -5.43 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.537

(partial model without unconserved sides chains): PDB file : Tito_3CAQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CAQ-query.scw PDB file : Tito_Scwrl_3CAQ.pdb: