Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTTIIGFPRLGEFRELKFTTEKYFRKEISEEELLAAAKDLRAKHWNIVKEKGITEIPSNDFSHYDNFLDAAFLFNVVPASVQNLDLSDLERYFALGRGYQGEKGDVRALPMKKWFNTNYHYIVPKFEKDTQVKLAGHKIFDEFQEAKE-LGLNTRPVLVGPFTFLQLSDFEEGVKADDFVDSFVAAYQEVFAKLADLGATRIQLDEAALVKDLTAEEKALFLNLYNKLLADKKGLEVLFQTYFGDVRDVYADLVNLPVDAIGLDFVEGK-KTLELVKGGFPADKTLYVGIVNGKNIWRNNYEKSLTVLEQI-P-AENIVLTSSCSLLHVPFTTANE-EFEPALLNHFAFAVEKLDEIRDLDAIRNGQGS--E-----ALAANKELFATERVGENAELRARIAGLTDADYTRLPAFAEREAIQEEAFKLPALPTTTIGSFPQTKEVRAKRLAYRKGELSQKEYDAFLAETIDEWIKWQEDIDFDVLVHGEFERNDMVEYFGQNLSGYLFSKNGWVQSYGMRGVKPPIIWGDVTRLNPITVKWSSYAQSRTNKPVKGMLTGPVTILNWSFPREDISIKDSTLQIALAIKDEVLDLEAAGVKIIQIDEAALREKLPLRRSDWYEDYLDWAIPAFRLVHSTVAPDTQIHTHMCYSEFTDIIPAIDNMDADVISFEASRSNLEILDELKAKNFQTEVGPGVYDIHSPRVPNEGEIDNTIEAILAKVPSKKVWINPDCGLKTRGIPETKESLIRLVEAAKAAREKL 2NQ5 Chain:A ((2-742)) TKVSSLGYPRLGENREWKKLIEAYWAGKVSKNDLFAGAKELRLDFLKKQLNAGLDLIPVGDFSLYDHILDLSVQFNIIPKRFAKEPI-DIDLYFAIARGNKE----NVASSMKKWFNTNYHYIVPEWSK-QRPKLNNNRLLDLYLEAREVVGDKAKPVITGPITYVALSTGVE--DFTAAVKSLLPLYKQVFTELVKAGASYIQVDEPIFVTDEGKDYLQAAKAVYAYFAKEVPDAKFIFQTYFEGLIDS-QVLSQLPVDAFGLDFVYGLEENLEAIKTGAFKGKEIFAGVIDGRNIWSSDFVKTSALLETIEEQSAALTIQPSCSLLHVPVTTKNETDLDPVLRNGLAFADEKLTEVKRLAEHLDGREDPAYDLHIAHFDAL-----QAADFRN--VKLE--DLSRVATKRPSDFAKRRDIQQEKLHLPLLPTTTIGSFPQ-----------------DAEYKQFIQAEIERWIRIQEDLDLDVLVHGEFERVDMVEFFGQKLAGFTTTKFGWVQSYGSRAVKPPIIYGDVQHLEPITVEETVYAQSLTDRPVKGMLTGPITITNWSFERTDIPRDQLFNQIGLAIKDEIKLLENAGIAIIQVDEAALREGLPLRKSKQK-AYLDDAVHAFHIATSSVKDETQIHTHMCYSKFDEIIDAIRALDADVISI-------------------LGIGLGVYDIHSPRVPTKEEVVANIERPLRQLSPTQFWVNPDCGLKTRQEPETIAALKVLVAATKEVRQK-

General information: TITO was launched using: RESULT: Template: 2NQ5.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 : 3934 22972 5.84 33.15 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : 5.84 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.483

(partial model without unconserved sides chains): PDB file : Tito_2NQ5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2NQ5-query.scw PDB file : Tito_Scwrl_2NQ5.pdb: