Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQFRKTLNIGIMLKIVLSEIGMTQGLLAGKRFLTAGVASKLSIAYGIAQALHREGAELAFTYPNEKLKKRVDEFAEQFGS-----------KLVFPCDVAVDAEIDNAFAELAKHWDGVDGVVHSIGFAPAHT----LDGDFTDVTDRDGFKIAHDISAYSFVAMARAAKPLLQA--RQGCLLTLTYQGSERVMPNY--NVMGMAKASLEAGVRYLASSLGV-DGIRVNAISAGPIRTLAASGIKSFRKMLDANEKVAPLKRNVT----------IEEVGNAALFLCS-PWASGITGEILYVDAGFNTVGMSQSMMDDE--- 1DFI Chain:A ((1-257)) -----------------------G-FLSGKRILVTGVASKLSIAYGIAQAMHREGAELAFTYQNDKLKGRVEEFAAQLG-SDIVLQCDVAE----------DASIDTMFAELGKVWPKFDGFVHSIGFAPGDQLDGDYVNAVT----REGFKIAHDISSYSFVAMAKACRSM---LNPGSALLTLSYLGAER-AIPNYN-VMGLAKASLEANVRYMAN-AMGPEGVRVNAISAGPIRTL--------------------MLAHCEAVTPIRRTVTIEDVGNSAAFLCSD-LSAGISGEVVHVDGGFSIAA---------MNE

General information: TITO was launched using: RESULT: Template: 1DFI.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 : 1031 -58991 -57.22 -276.95 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -57.22 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.599

(partial model without unconserved sides chains): PDB file : Tito_1DFI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1DFI-query.scw PDB file : Tito_Scwrl_1DFI.pdb: