Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MWQQLITWLKQLSFLVKKEFLTIFSDPANRAILFVPALMQALLSGYAATYDVNHVDYAILDQSNGQISHELISKLDG-SGIFKRVATLEYTEQIKQVTDNRQALLIIAIPNDFESKLNNNQSAPIQVIVD---------GRNSSTAMVAGSYLNKIIGQFNQQKFNSAL---PISLETRTWYNPNQESRWSLMPA-LIAALSMMQTLLLSALSVAREREQGTFDQLLVTPYTPLQIMIGKALPPIFVGLMQSTIILLIILFWFKIPMNGSIGLLYFGLFSFNVAVVGVGLSISALSLNMQQAMLFTFLLIMPLMLLSGLLTPVENMPKALQVATYANPLRFGINLVQRVYLEGASFAQVKLNFLPMIVLGIVTLPLAAWLFRNRLS 3CNI Chain:A ((11-155)) ------------------------------------------------------QKVAIVREDTGTIAELAEKALGNMV---DIVYAGSDLKEAEEAVKKEKAPAIIVIPKGFSQSLESGEKARLEIVWYLRGTGLSEAVSTGTISSLIESLKVQLASFLLNDPKKAQLLFDPLEIVQHTYLRGSLFKNHSPEAIMNVFYSQ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3CNI.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 : 600 6283 10.47 47.96 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.46 3D Compatibility (PKB) : 10.47 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.46 QMean score : 0.396

(partial model without unconserved sides chains): PDB file : Tito_3CNI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CNI-query.scw PDB file : Tito_Scwrl_3CNI.pdb: