Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLIQLYLLKLELFWFELHQHYHFSEPQKILNELIAAYSAAYSEKQRAYHTVQHLYECLSLIETVQSE-LNDPYAVALALWFHDVVYEPQALDNELKSAELFEQLMAQ-DLQLDTMQKIKRWILATQKHA-----PTDETDLQFLLDID-LAILAA-TPERFMQYEQQIQQ-EYSWA-------DPEVYSIK----RKEVLMNFYQSEPLYQTAYFQKNFELNAKQNLKKILE 2PJQ Chain:A ((18-199)) -----------------------------------------LAHDHSGHGRDHLQRVNRLARRLAKDEGANLNLTLAAAWLHDVID----------AHQDLIVQLNAQNVTADDQTAIFAIIDHMSFSKSFNGPQKLSLEGQVVQDADRLDAIGAIGIARALYYSGHVGEKIYDPAIAPREHMTREQYRHQPGTAINHFYEKLFKLAALMNTDTAKALAAHRTA--------

General information: TITO was launched using: RESULT: Template: 2PJQ.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 : 594 -17850 -30.05 -117.43 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -30.05 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.454

(partial model without unconserved sides chains): PDB file : Tito_2PJQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PJQ-query.scw PDB file : Tito_Scwrl_2PJQ.pdb: