Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDKSIKELALSVGRPVEKLLEQAREAGLPQRTADDIITTEQQDTLVNYLKKVHGQESGNTGKIALKRKTTSTAKVASTSGKAKTINVEVRKKQVFAKPNPEQIAAEAKARAEAEAKARAEQQAREAAEQKARLQTEQKAKATLDAMRAAHQQDSAAQSAPKAAVVVEKRGGGTVKPAPKPAETLEQKKAREAQTAQLKATEEAARRKAAEEAQQRTLEQMRKMASKYSNDDATATIRVIDDSPLASGLVGQAYEDSFNQEDREIKRGGATTNPRAGKKGGRRGQEEQSFVNHNKRGLKSSQANKHGFEKPVKKQVYDVEIGSSIVVADLAQKMAIKVREVIKTLMKMGELVNQNQTIDQDTAALVVEEMGHNPVLVSDTQAEDNLLEAAEEARGEQTTRPPVVTIMGHVDHGKTSLLDRIRRSKVAAGEAGGITQHIGAYHVETD------------------KGIITFLDTPGHAAFTSMRARGAKATDIVVLVVAADDGVMPQTAEAIDHARAAGTPIIVAINKMDKESAD--------------------------PDRVLNELTTKEIVPEEW------GGDVPVAKVSAHTGQGIDELLDLILIQSEL-MELKASAEGAAQGVVIEARVDKGRGAVTSILVQNGTLNIGDLVLAGS----SYGRVRAMSDENG-------------KPIKSAGPSIPVEILGLPEAPMAGDEVLVVNDEKKAREVADARADREREKRIERQSAMRLENIMASMGKKDVPTVNVVLRTDVRGTLEALNAALHELSTDEVKVRVISSGVGAITESDVILAES------SEAVLLGFNVRADTAARQKSDQDGIDIRYYSIIYELIDDVKDAMSGKLAPEHRETILGVAQVREVFRSSKFGAAAGCMVMEGVIHRNKPIRVLRDDVVIFQGELESLRRYKDVVDEVRAGMECGLAVKGYNDIKPLDKIEVYDVQIVKRSL 4N3S Chain:B ((6-457)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KDLRSPICCILGH------KLLDKIRQTNVQGG----ITQQIGATYFPIDAIKAKTKVMAEYEKQTFDVPGLLVIDTPGHESFSNLRSRGSSLCNIAILVIDIMHGLEQQTIESIKLLRDRKAPFVVALNKIDRLYDWKAIPNNSFRDSFAKQSRAVQEEFQSRYSKIQLELAEQGLNSELYFQNKNMSKYVSIVPTSAVTGEGVPDLLWLLLELTQKRMSKQLMYLSHVEATILEVKVVEGFGTTIDVILSNGYLREGDRIVLCGMNGPIVTNIRALLTPQPLRELRLKSEYVHHKEVKAAL-GVKIAANDLEK-AVSGSRLLVVGPEDDEDELMDDVMD-------------DLTGLLDSV--D-TTGKGVVVQASTLGSLEALLDFLKDM-----KIPVMSIGLGPVYKRDVMKASTMLEKAPEYAVMLCFDVKVDKEAEQYAEQEGIKIFNADVIYHLFDSFTAYQEKLLE------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4N3S.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2008 -2223 -1.11 -6.04 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.67 3D Compatibility (PKB) : -1.11 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.633

(partial model without unconserved sides chains): PDB file : Tito_4N3S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4N3S-query.scw PDB file : Tito_Scwrl_4N3S.pdb: