Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MVMNLLFFREIEKTKASNFIQLSDWIATDSARNQLILKDILAQVAEGRNILVLVNRIQQIDVFEKLLKEKEVDDCYIISGKTKVRERERVYWRR-------------------------------------------------------------------------------------------------------------- 2OCA Chain:A ((1-503)) MDIKVHFHDFSHVRIDCEESTFHELRDFFSFEADGYRFNPRFRYGNWDGRIRLLDYNRLLPFGLVGQIKKFCDNFGYKAWIDPQINEKEELSRKDFDEWLSKLEIYSGNKRIEPHWYQKDAVFEGLVNRRRILNLPTSAGRSLIQALLARYYLENYEGKILIIVPTTALTTQMADDFVDYRLFSHAMIKKIGGGASKDDKYKNDAPVVVGTWQTVVKQPKEWFSQFGMMMNDECHLATGKSISSIISGLNNCMFKFGLSGSLRDGKANIMQYVGMFGEIFKPVTTSELKINSIFLRYPDEFTTKLKGKTYQEEIKIITGLSKRNKWIAKLAIKLAQKDENAFVMFKHVSHGKAIFDLIKNEYDK-VYYVSGEVDTETRNIMKTLAENGKGIIIVASYGVFSTGISVKNLHHVVLAHGVKSKIIVLQTIGRVLRKHGSKTIATVWDLIDDAGVKPKSANTKKKYVHLNYLLKHGIDRIQRYADEKFNYVMKTVNLL

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 : 299 17167 57.41 184.59 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : 57.41 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.431

(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: