Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEPIIELEKINYKYQPDDLRPALKDVSFTIDKGEWIAIIGHNGSGKSTLAKTINGLLLPESGIVKVGNQ---ILDEENIWTIRQMVGMVFQNPDNQFVGSTVEDDVAFGLENQGIPREEMLVRVKDALEKVRMAEFASREPARLSGGQKQRVAIAGVVALRPDIIILDEATSMLDPEGREEVISTIKKIKEESQLTVISITHDIDEAAN-ANRILVMRQGELVREGTPKEIFSAGPELIDLGLDLPFPEK-LKSALKERGVDVPSEYMTEERMVDWLWTSVLNK 3TUI Chain:H ((43-280)) ---------------------ALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQHF-NLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSH-PK-------TPLAQKFIQSTLH---LDIPEDY--QERL-----------

General information: TITO was launched using: RESULT: Template: 3TUI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain H - contact count / total energy / energy per contact / energy per residue : 1135 -46690 -41.14 -200.39 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain H : 0.76 3D Compatibility (PKB) : -41.14 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.548

(partial model without unconserved sides chains): PDB file : Tito_3TUI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TUI-query.scw PDB file : Tito_Scwrl_3TUI.pdb: