Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKPLSSRFLFKSFGMVAVCMSLAACGDKAWWSNNDEPELESQQIKRLIPSRVHDRESWAKDIDDIMKDLDIPKTKQNVCSIVAVVDQESNFVANPQVPGLGQKAVEEVSTRLNEKFEDKLGKTIGGTIAGYFEEVLRTQPSPDNNYMSQMRKVKTE--KDLDLLYREIFDFMAKHYHVS---------------ALTGAAKLVGQDIGEKMNPITTLGSMQVHINYAKANKRSSMNTAALRDDLYTEY--GGLYYGIHRLMVYPADYDKAIYRFADYNSGMYSSRNAAFQKMLKELTDKDISLDGDLLLYTKDGDPRATQSESEKELITVFASNNVLVTPRQIRDDLKLEKEKKFESTQTYIALTKLYKSKTGKEPLYAIMPQVVISGPKLSRDYNTNWYATRVNGRYETCMQRAKRIRL 4TVS Chain:A ((8-231)) ------------------------------------------------------------------------------------------------------------------------------------------VETTAVQEFQNQMNQLKNKYQGQDEKLWKRSQTFLEKHLNSSHPRSQPAILLLTAARDAEEALRCLSEQIADAYSSFRSVRAIRID-GTDKATQDSDTVKLEVDQELSNGFKNGQNAAVVHRFESFPAGSTLIFYKYCDHE-------NAAF---------KDVALVLTVLLEEETLGTSLGLKEVEEKVRDFLKVKFTNSNTPNSYNHMDPDKLNGLWSRISHLVLPVQPENALKRGICL------------------------------------------

General information: TITO was launched using: RESULT: Template: 4TVS.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 : 969 51648 53.30 251.94 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 53.30 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.287

(partial model without unconserved sides chains): PDB file : Tito_4TVS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4TVS-query.scw PDB file : Tito_Scwrl_4TVS.pdb: