Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------MWQQLITWLKQLSFLVKKEFLTIFSDPANRAILFVPALMQALLSGYAATYDVNHVDYAILDQSNGQISHELISKLDGSGIFKRVATLEYTEQIKQVTDNRQALLIIAI---------------PNDFESKLNNNQSAPIQVIVDGRNSSTA----MVAGSYLNKIIGQFNQQKFNSALPISLETRTWYNPNQESRWSLMPALIAALSMMQTLLLSALSVAREREQGTFDQLLVTPYTPLQ--IMIGKALPPIFVGLMQSTIILLIILFWFKIPMNGSIGLLYFGLFSFNVA---VVGVGLSISALSLNMQQAMLFTFLLIMPLMLLS---GLLTPVENMPKALQVATYA--------NPLRFGINLVQRVYLE------GASFAQVKLNFLPMIVLG------IVTLPLAAWLFRNRLS 3J9O Chain:B ((79-505)) VIDKLIDLQVNSIISNDEFRALEQEWLKVQE-VCQEDYDNVEVSILDVKKEELQYDFERNLYDISSSDFFKKVYVSEFDQYGGEPYGAILGLYNFE---NTTNDIIWLTGMGMVAKNSHAPFIASIDKSFFGVKDLSEITHIKSFEALLEHPRYKEWNDF---RNLDVAAYIGLTVGDFMLRQPYNPENNPVQYKLMEGFNEFVDYDKNESYLWGPASIHLVKNMMRSYDKTRWFQYIRGVESGGYVKNLVACVYDNKGILETKSPLNVLFADYMELSLANIGLIPF--VSEKGTSNACFFSVNSAKKVEEFVDGFDSANSRLIANLSYTMCISRISHYIKCVIRDKIGSIVDVESIQKILSDWISEFVTTVYQPTPLEMARYPFRNVSIEVKTIPGKPGWYSCKINVIPHIQFEGMNTTMTIDTRLEPELFGTNN-

General information: TITO was launched using: RESULT: Template: 3J9O.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 : 1569 -32423 -20.66 -89.57 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -20.66 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.101

(partial model without unconserved sides chains): PDB file : Tito_3J9O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3J9O-query.scw PDB file : Tito_Scwrl_3J9O.pdb: