Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNHPAAQPTNQTSSHSPASPSNTEPCEQQSLKQQLLKQQPLKEQSLKQQSREQQLHTWLNEVFPNQSLQHEKIPGDASFRSYHRLTVDNQH----------YIVMDAPPAKES--VKEFIAVGNLMAGYVHVPKMIATDEQQGFIVLEDLGNTDFADVIAKDLTDAGELAKTARYYQQAMQEILAIQKIDINDAKAVIPSYDDALLRREMGLFSDWFLPYIGVKMTPDL------ETLWQDLQSDIIQQV--IAQPQVVVHRDFHSRNLMVLSHSDELGVIDFQDAVIGAYTYDLASLLRDAYINYD----------------ENWVNTHLAHYHQLAQLDKS---LAEFTVDFNIMS--MQRHLKVLGIFVRLFERDGKDRYLVNLPKVFNDLLTCLKAISQWDKRPTFDKFADWMTAAAAPAFQQKIQG 1NW1 Chain:A ((32-426)) ------GMKELLSTMDLDTDANTIPELKERAHMLCARFLGGAWKTVPLEH-----------------LRISRIKGGMSN-MLFLCRLSEVYPPIRNEPNKVLLRVYFNPETESHLVAESVIFTLLSERHL-GPKLYGIF--SGGRLEE---------YIPSRPLSCHEISL-AHMSTKIAKRVAKVHQLEVPIWKE--PDYLCEALQRWLKQLTGTVDAEHRFDLPEECGVSSVNCLDLARELEFLRAHISLSKSPVTFCHNDLQEGNILLP---KRLVLIDFEYASYNYRAFDFANHFIEWTIDYDIDEAPFYKIQTENFPENDQMLEFFLNYLREQGNTRENELYKKSEDLVQETLPFVPVSHFFWGVWGLLQVELSPVGF-----GFADYGRDRLSLYFKHK--QLLKNLA-----------------

General information: TITO was launched using: RESULT: Template: 1NW1.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 : 1449 -4746 -3.28 -14.65 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -3.28 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.348

(partial model without unconserved sides chains): PDB file : Tito_1NW1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1nw1-query.scw PDB file : Tito_Scwrl_1NW1.pdb: