Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTAANQETILELRDVKKYFPIRSGLFQRKVGDVKAVDGVSFSLKKGETLGIVGESGCGKSTAGRTMIRLYKPTEGQILFKGQDISNLSEEKLRKSVRKNIQMVFQDPFASLNPRKTLRSIIKEPFNTHNMYTMRERNEKVEELLARVGL---HPSFAGRYPHEFSGGQRQRIGIARALTLNPELIIADEPVSALDVSIQAQVINLMEELQEEFNLTYLFISHDLSVVRHISDRVGVMYLGKMMELTGKHELYDNPLHPYTQALLSSVPVTRKRGSVKRERIVLKGELPSPANPPKGCVFHTRCPVAKPICKEQIPEFKEAAPSHFVACHLYS 3TUZ Chain:D ((33-266)) ------------------------VFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKA-RRQIGMIFQH-FNLLSSR-TVFGNVALPLELDNT-PKDEVKRRVTELLSLVGLGDKHDS----YPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHPKTPLAQKFIQS------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3TUZ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1124 -145358 -129.32 -629.26 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain D : 0.75 3D Compatibility (PKB) : -129.32 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.449

(partial model without unconserved sides chains): PDB file : Tito_3TUZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TUZ-query.scw PDB file : Tito_Scwrl_3TUZ.pdb: