Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIQEQKWWKEAVGYQIYPASFKDSNGDGQGDINGIREKLNYLKDLGIGFIWINPIYQSPFVDNGYDVSDYQDIEERFGTMEDFDLLLKEAHELGIKVIMDLVINHSSDQHQWFEESKKSKESPYRDYYIWVDGVD-GKEPNNWTSIFGGSAWEYSHETGQYYLHVFAKEQPDLNWESEKLKEELFNMIRWWLDKGIDGFRLDAISHVKKDEYSVKATE----------------NPFS---PFQNVSGIEEHLTDLKHVFE-EYDIMTVGEASGVTAE-EGPQWVGKDGYFDMIFEFDHIHIWQQEKEGQLDVLKLKLALSAWQTSLDGIGWNALYMENHDVPRAVSVFGDTRPDFWAMSAKAIAMMYFFLQGTPFIYQGQEIGMTNMPFESIDQVDAVDSKRLYKRLLAEGKTREEALDIIRETTRDNSRTPMQWTSEQYAGFSTHEPWLITNPNTKTINVEQQEYEPESVLQFYKNMIRIRQTNKGLIYGSYKEYLHEHPQLYVYERYLEDEQYLIMVNLTESLADYELPKEADQSWTLLLSN-SSSGEFEAKGILAPYEARLYKTNK 3WY2 Chain:A ((4-537)) ---NMMWWRGGVIYQIYPRSFLDSRGDGVGDLNGITEKLDYVASLNVDGIWLSPFFTSPMLDFGYDVSDYRDVDPMFGTLEDFKALLEKAHSLGLKVMIDQVISHTSDQHPWFQESRQNRTNPKADWFVWADPKPDGTPPNNWLSIFGGSAWTFDSRRQQYYLHNFLTSQPDVNFHHPEARQAQLDNMRFWLDLGVDGFRLDTVNFYFHDAELRDNPPVPKGEAKTLGAPEANPYTWQRHVYDLSRPENLDFLKDLRALMDEYPGTTTVGEIGDDNPLERMAEYTAGGDKLHMAYTFDLLNM-------PHSASYLREVIERFQR-LAGDAWPCWATSNHDVVRSATRWGAD--EDPHAYPKVMLAVLFSLRGSVCLYQGEELGLPEADV-PFERIQDPYGK----------------VLWPEFKGRDGCRTPMPWTDGEQGGFSPVEPWLPMEARHLELAVSRQQDDPNATLNTVRALLAFRRSHPALFDGDLSLVD-VGDDLLGFTRQKGDETLLCVFNLTGQEQQTTLPVEV---ASDLPVAHFTATRDGSTLTLPAYQAAFMQV--

General information: TITO was launched using: RESULT: Template: 3WY2.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 : 3019 -32882 -10.89 -64.35 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -10.89 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.392

(partial model without unconserved sides chains): PDB file : Tito_3WY2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WY2-query.scw PDB file : Tito_Scwrl_3WY2.pdb: