Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSMSPSSSGHVNMMKGQPFHVKYREIIRRMSFLIGALLVFRLGAHIPVPGINNAALENLFHANQGTILGLFNMFSGGALERMSILALGIMPYISASIIVQLMSTVIPSLEALKKEGEQGKRKINQYTRQGTLLLAVVQAVGMCAGLIG-QGITL-----SSGLAFYIPAVTSLVAGTMFLMWLGEQITERGIGNGISMIIFAGIVAGLPKLIMQSVSSVDNGQTSLIGLVIFGLLSLGVLAAIVFIEKAQRRIPVNYAQKQQGRRIFTAQQTHLPLKINMAGVIPAIFASSLLLFPASLGQWVGSADPNAGLIKRSLQDLALVLSPGQPLYLVLFGALIIFFCYFYTALVFSPKEVSENLKRSGAYVPGIRPGEQTARYLDHILNRLTFIGAIYIAVICLMPMILQSSFGI-PFYLGGTSLLIVVVVVMDFMAQLQAHLTFHQYDNQTLMRKTTAHPKG 5AWW Chain:Y ((13-424)) ------------------------ELRQRVLFTLLVLAAYRLGAFIPTPGVDLDKIQEFLRTAQGGVFGIINLFSGGNFERFSIFALGIMPYITAAIIMQILVTVVPALEKLSKEGEEGRRIINQYTRIGGIALGAFQGFFLATAFLGAEGGRFLLPGWSPGPFFWFVVVVTQVAGIALLLWMAERITEYGIGNGTSLIIFAGIVVEWLPQILRTIGLIRTGEVNLVAFLFFLAFIVLAFAGMAAVQQAERRIPVQYARKVVGGRVYGGQATYIPIKLNAAGVIPIIFAAAILQIPIFL------AAPFQD--NPVLQGIANFFNPTRPSGLFIEVLLVILFTYVYTAVQFDPKRIAESLREYGGFIPGIRPGEPTVKFLEHIVSRLTLWGALFLGLVTLLPQIIQNLTGIHSIAFSGIGLLIVVGVALDTLRQVESQLMLRSY---------------

General information: TITO was launched using: RESULT: Template: 5AWW.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain Y - contact count / total energy / energy per contact / energy per residue : 1800 -263748 -146.53 -651.23 target 2D structure prediction score : 0.78 Monomeric hydrophicity matching model chain Y : 0.82 3D Compatibility (PKB) : -146.53 2D Compatibility (Sec. Struct. Predict.) : 0.78 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.496

(partial model without unconserved sides chains): PDB file : Tito_5AWW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AWW-query.scw PDB file : Tito_Scwrl_5AWW.pdb: