Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNGEIRLIPYVTNEQIMDVNELPEGIKVIKAPEMWAKGVKGKNIKVAVLDTGCDTSHPDLKNQIIGGKNFTDDDGGKEDAISDYNGHGTHVAGTIAANDSNGGIAGVAPEASLLIVKVLGGENGSGQYEWIINGINYAVE----QKVDIISMSLGGPSDVPELKEAVKNAVKNGVLVVCAAGNEGDGDERTEELSYPAAYNEVIAVGSVSVARELSEFSNANKEIDLVAPGENILSTLPNKKYGKLTGTSMAAPHVSGALALIKSYEEESFQRKLSESEVFAQLIRRTLPLDIAKTLAGNGFLYLTAPDELAEKAEQSHLLTL 2WWT Chain:F ((3-305)) ---KFRLIPYKQVDKVSALSEVPMGVEIVEAPAVWRASAKGAGQIIGVIDTGCQVDHPDLAERIIGGVNLTTDYGGDETNFSDNNGHGTHVAGTVAAAETGSGVVGVAPKADLFIIKALSGD-GSGEMGWIAKAIRYAVDWRGP--MRIITMSLGGPTDSEELHDAVKYAVSNNVSVVCAAG---------NEFAYPAAYNEVIAVGAVDFDLRLSDFTNTNEEIDIVAPGVGIKSTYLDSGYAELSGTAMAAPHVAGALALIINLAEDAFKRSLSETEIYAQLVRRATPIGFTAQAEGNGFLTL------------------

General information: TITO was launched using: RESULT: Template: 2WWT.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 1989 -200988 -101.05 -702.76 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain F : 0.85 3D Compatibility (PKB) : -101.05 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.397

(partial model without unconserved sides chains): PDB file : Tito_2WWT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WWT-query.scw PDB file : Tito_Scwrl_2WWT.pdb: