Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDIRFEQVDFTYQPNTPFEQRALFDINMTIKENSYTALVGHTGSGKSTLLQHLNALVKPTSGTVHIGERDIQPDTDNKNLKPIRKKVGIVFQFPEAQLFEETVAKDIAFGPKNFGVSEEEALVLAKETLEQVGLD-ESYLERSPFELSGGQMRRVAIAGVLAMRPEVLVLDEPTAGLDPQGRKEMMEMF--WRLHKEQQITIVLVTHLMDDVANFADYVYVLEKGRIVNSGEPQEVFQNIEWLKEKQLGVPTATEFAEELMAKGMNFATLPLTAEELADAIVHYAGGNAHDE 4ZIR Chain:A ((8-229)) ------NVSHIFHRGTPLEKKALENVSLVINEGECLLVAGNTGSGKSTLLQIVAGLIEPTSG-------DVLYDGE--KGYEIRRNIGIAFQYPEDQFFAERVFDEVAFAVKNF-YPDRDPVPLVKKAMEFVGLDFDSFKDRVPFFLSGGEKRRVAIASVIVHEPDILILDEPLVGLDREGKTDLLRIVEKW---KTLGKTVILISHDIETVINHVDRVVVLEKGKKVFDGTRMEFLEK-----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4ZIR.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 : 1072 -66787 -62.30 -307.77 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -62.30 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.546

(partial model without unconserved sides chains): PDB file : Tito_4ZIR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZIR-query.scw PDB file : Tito_Scwrl_4ZIR.pdb: