Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDGVKCQFVNTNGITLHVAAAGREDGPLIVLLHGFPEFWYGWKNQIKPLVDAGYRVIAPDQRGYNLSDKPEGIDSYRIDTLRDDIIGLITQFTDEKAIVIGHDWGGAVAWHLASTRPEYLEKLIAINIPHPHVMKTVTPLYPPQWLKSSYIAYFQLPDIPEASLRENDYDTLDKAIGLSDRPALFTSEDVSRYKEAWKQPGALTAMLNWYRAL---------RKGSLAEKPSYETVPYRMIWGMEDRFLSRKLAKETERHCPNGHLIFVDEASHWINHEKPAIVNQLILEYLKNQ 4IO0 Chain:B ((21-303)) ------QYINVNGVNLHYISKGQ--GELMLFLHGFPDFSHIWRHQIDEFSN-DFHTVALDLRGYNLSEKPSGLESYEIDVLVEDIRQVIEGLGYSSCTLVVHDWGAGIGWTFAYRYPEYVQKLIAFNGPHPYTAMRELRTNKNQQKASEYMKWFQKQEVQDYMERDNFSGLRKLVIDPGVKKGYLTADDVQAYMNSWEN-GSVLSMLSYYRNLKIFTEEDLRRKSLFPLEEEVLNIPVQIIWGNQDPTFMPENLDGIEEYVPNISVHRLAEASHAPQHEKPQEVNNVMWNFLN--

General information: TITO was launched using: RESULT: Template: 4IO0.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 : 1566 -164473 -105.03 -600.27 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -105.03 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.450

(partial model without unconserved sides chains): PDB file : Tito_4IO0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IO0-query.scw PDB file : Tito_Scwrl_4IO0.pdb: