Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------------------MNSQASSSPL--------------PPAASCVQFRPEQLQLGTGIPLGSGAISQVVQCRLHCAAAPLLPVVVKVVSKIQVLQQGKVQSVMNEKATLQRLAPFPYVVRLYGTAQSEDELYFVLEWLPHGDLLQHIRYVAQERVRQYNEEEAAAGSTASMPSPGAVAGGTTGSVPDGAPVAEASASTGPSKRATAIPASSTALRCLDFHDIQLITAQLVLALEHTADRGVVLRDLKPENVAFDEKYRACLLDFDTADLEGAVNMPETNGGVACPPPVDAAAVDEAESSDGGGGHAAAENGGASSSSRRRRLTVSQIHRMRRKTASFCGTAHYVSPEMV-----GECKWSFSSDLWALGALVYELVYGEHLFSGMTPFEVLQKVVHGSYVERHELFPHIHFADDADGEAEQCCGERRFAAVKDFIQQLLLTDPQKRLGVHPDTHRFDATALRRHALFDGFQWEPVEAQLRTFRMRRFDLGSSKATSAASG---DASCDAREASNDASGASSAALKSLVAACVDPSASLASCYHILPFNDPAYAEYVYRATADANPFEQFFTQEDTEPAPTAAAASHEAAGSAGGSAPGAVPTPAVNSRPEAASVVDDDEVDDVIDDVGMHYTGRPADKYFQDYRDTP 4AW2 Chain:A ((1-416)) SGEVRLRQLEQFILDGPAQTNGQCFSVETLLDILICLYDECNNSPLRREKNILEYLEWAKPFTSKVKQMRLHREDFEILKVIGRGAFGEVAVVKLKNADK---VFAMKILNKWEMLKRAETACFREERDVLVN-GDSKWITTLHYAFQDDNNLYLVMDYYVGGDLLTLLSKFEDR---------------------------------------------------------------LPEEMARFYLAEMVIAIDSVHQLHYVHRDIKPDNILMDMNGHIRLADF-------------------------------------GSCLKLMEDGTVQSSVAV-------------------GTPDYISPEILQAMEGGKGRYGPECDWWSLGVCMYEMLYGETPFYAESLVETYGKIMN-----HKERFQFPTQVTDVS------------ENAKDLIRRLICS-REHRLG------QNGIEDFKKHPFFSGIDWDNIRNCEAPYIPEVSSPTDTSNFDVDSGHHLPFVGFTYTSSCVLSDRSCLR----------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4AW2.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 : 1509 -5788 -3.84 -17.02 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -3.84 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.394

(partial model without unconserved sides chains): PDB file : Tito_4AW2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AW2-query.scw PDB file : Tito_Scwrl_4AW2.pdb: