Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKAIEFKEVEKSFQDGDQVVKALKETTMSIDKGEFVAIIGPSGSGKSTFLTLAGGLQTPSSGSVFINDQEFSNQKESERVKLRFKEIGFILQASNLVPFLTVKKQLLL---VDKIKHEHRQKEAKELFEQLGVDKLINKYPEELSGGERQRVAIARALYNDPSIILADEPTASLDSEKAREVVDILAKESKDKNKATIMVTHDTRLIDK-CDRIFMMEDGVLKEKE 3TUZ Chain:H ((25-246)) ---IKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKAR-RQIGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQD

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 H - contact count / total energy / energy per contact / energy per residue : 1103 -43292 -39.25 -198.59 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain H : 0.81 3D Compatibility (PKB) : -39.25 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.544

(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: