Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKPLSSRFLFKSFGMVAVCMSLAACGDKAWWSNNDEPELESQQIKRLIPSRVHDRESWAKDIDDIMKDLDIPKTKQNVCSIVAVVDQESNFVANPQVPGLGQKAVEEVSTRLNEKFEDKLGKTIGGTIAGYFEEVLRTQPSPDNNYMSQMRKVKTEKDLDLLYREIFDFMAKHYHVSAL------TGAAKLVGQDIGEKMNPITTLGSMQVHINYAKA-NKRSSMNTAALR-DDLYTEYGGLYYGIHRLMVYPADYDKAIYRFADYNSGMYSSRNAAFQKMLKEL--------TDKDISLDGDLLLYTKDGDPRATQSESEKELITVFASNNVLVTPRQIRDDLKLEKEKKFESTQTYIALTKLYKSKTGKEPLYAIMPQVVISGPKLSRDYNTNWYATRVNGRYE----TCMQRAKRIRL 3LD1 Chain:A ((5-363)) ----------LRDVILVSKDIP-EQLCDALFFYTSHNP--------KDYADAFAVRQKFDRNLQT--GKQFKFETVCGLFLLKGV---------DKITPGVPAKVLKATSK--LADLEDIFGVS---PFARKYRELLKTACQWSLTVETLDARALTLDEIFDPTEILWLQVAAKIQVSAMAMRRLVGEVTAKVMDALGSNMSALFQIFKQQIVRIFQAALAIFENVSELPQRIAALKMAFAKCAKSITVVVM------ERTLVVREFAGTCLASINGAVAKFFEELPNGFMGAKIFTTFAFFREAAVKIVDNIPNAPRGT--KGFEVVGNAKGTQVVVRGMRNDLTLLDQKAEIPVES-----EGWSAILGGHLCYVFKS-------------GDRFYAAPLSGNFALHDVHCCERVVCL--

General information: TITO was launched using: RESULT: Template: 3LD1.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 : 1473 -41060 -27.87 -121.12 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -27.87 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.264

(partial model without unconserved sides chains): PDB file : Tito_3LD1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LD1-query.scw PDB file : Tito_Scwrl_3LD1.pdb: