Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTAAEAGADTDAALLALAQRLAAQAGKATPTALTRLAGGRNNQVFRVDT-EAG-PLVLKRYFTDARDSRDRLGAEWSFISHAWSRGVRVVPEPMACDR--------AVQAGLYSFVEGRKLTAAELAPAHVDAAIDFVLAVNAPPRPTLAPGSEACFSLAEHIATVERRVARLATLD---ADVPHVSEARQFVA---TRLQPAWAEVKATILRGAAAEGLALDAAIPADQVCLSPSDFGFHNALIDDQGKLTFLDFEYAGRDDPAKLVSDFFCQPEV--PVPLAAHEHFIDRLADGLGLDAASVARCRLLLDAYQVKWTCIILNDFLPLGAVRRAFADTGAWAQRCAVQLAKAEAQLGLIGATSD 4PDY Chain:A ((23-308)) -----------------IPQAVVSKYDLAIQ---QRH---ADGNIEVWTDSKGRRYAAKRSSIA----PAHCRIMVQCLRHAQEQGFTKFARFVTTSSNAPYVRHGDFTYYVTEWVSGQPANF--GLPEHVAQTAYTLAQFHEATRSFRTDWK------DDVFGLFQARWRDLRQMWLGADRKREKDAFDQLLLSMRDELHRDAAESLALFEDRD-VI--AYL-EAERSSGGWCHLDVIPSNCLYTPQHQVVLIDFELARPAPRALDMAHLLRRSLERGNWDGHLAYACFLHFDAVRNIPKSEYRAVEAILRFPYLPWRI---------------------------------------------

General information: TITO was launched using: RESULT: Template: 4PDY.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 : 1118 -27755 -24.83 -105.53 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -24.83 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.281

(partial model without unconserved sides chains): PDB file : Tito_4PDY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4pdy-query.scw PDB file : Tito_Scwrl_4PDY.pdb: