Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNGEIRLIPYVTNEQIMDVNELPEGIKVIKAPEMWAKGVKGKNIKVAVLDTGCDTSHPDLKNQIIGGKNFTDDDGGKEDAISDYNGHGTHVAGTIAANDSNGGIAGVAPEASLLIVKVLGGENGSGQYEWIINGINYAVE------QKVDIISMSLGGPSDVPELKEAVKNAVKNGVLVVCAAGNEGDGDERTEELSYPAAYNEVIAVGSVSVARELSEFSNANKEIDLVAPGENILSTLPNKKYGKLTGTSMAAPHVSGALALIKSYEEESFQRKLSESEVFAQLIRRTLPLDIAKTLAGNGFLYLTAPDELAEKAEQSHLLTL 2WWT Chain:B ((3-305)) ---KFRLIPYKQVDKVSALSEVPMGVEIVEAPAVWRASAKGAGQIIGVIDTGCQVDHPDLAERIIGGVNLTTDYGGDETNFSDNNGHGTHVAGTVAAAETGSGVVGVAPKADLFIIKALSGD-GSGEMGWIAKAIRYAVDWRGPKGEQMRIITMSLGGPTDSEELHDAVKYAVSNNVSVVCAAG---------NEFAYPAAYNEVIAVGAVDFDLRL--------EIDIVAPGVGIKSTYLDSGYAELSGTAMAAPHVAGALALIINLAEDAFKRSLSETEIYAQLVRRATPIGFTAQAEGNGFLTL------------------

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 B - contact count / total energy / energy per contact / energy per residue : 1959 -203090 -103.67 -725.32 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -103.67 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.425

(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: