Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------MKRMIVRMTLPLLIVCLAFSSFSASARAASEE-----------------KYWDHWIERHAQPLDASNASNKDLRFLKKVLKGKRIVQLGETTHGAGEINATKVRMIKYLHEELGYDVLAFESGFPDTNASYLNMDQLTPKSTMKNSIYAVWHTEDVVELFDYMKEQKEKGDPLILTGFDIQSMKNSFNVAATQWVKAVDPEKAELLSQSENDFSTLVTDSNTFDEFSQKKEKLVKNYQKLIKFTKTHASELKENLPKEPKAYEM---FMHSLQLRIDVMETYMLEEMKEKLEEYP---ENIEDFSFFMRDRMMAEQFQWVADTLYPKKKIIVW----GHNYHLRKQNTKMIKDWVQLNGPNMGDYLPERLKKQTYTIG-IYAYSGASLDSSDN-KTVKPVTSPPPSGSLEALLKAADRP---------AVFVDFLHTKNKKGTSWMYTPRTALYWGYMEEQMILKEQYDGVIWLEHITPSVIIK 2OCA Chain:A ((1-503)) MDIKVHFHDFSHVRIDCEESTFHELRDFFSFEADGYRFNPRFRYGNWDGRIRLLDYNRLLPFGLVGQIKKFCDNFGYKAWIDPQINEKEELSRKDFDEWLSKLEIYSGNKRIEPHWYQKDAVFEGLVN-RRRILNLPTSAGRSLIQALLARYYLENY--EGKILIIVPTTALTTQMADDFVDYRLFSHAMIKKIGGGASKDDKYKNDAPVVVGTWQTVVKQPKEWFSQFGMMMNDE--CHLATGKSISSIISGLNNCMFKFGLSGSLRDGKANIMQYVGMFGEIFKPVTTSELKINSIFLRYPDEFTTKLKGKTYQEEIKIITGLSKRNKWIAKLAIKLAQKDENAFVMFKHVSHGKAIFDLIKNEYDKVYYVSGEVDTETRNIMKTLAENGKGIIIVASYGVFSTGISVKNLHHVVLAHGVKSKIIVLQTIGRVLRKHGSKTIATVWDLIDDAGVKPKSANTKKKYVHLNYLLKHGIDRIQRYADEKFNYVMKTVNLL-

General information: TITO was launched using: RESULT: Template: 2OCA.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 : 2045 -149392 -73.05 -339.53 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -73.05 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.162

(partial model without unconserved sides chains): PDB file : Tito_2OCA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2OCA-query.scw PDB file : Tito_Scwrl_2OCA.pdb: