Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALTAGIVGLPNVGKSTLFNAITQAGAESANYPFCTIDPNVGIVEVPDDRLQKLT------ELVNPKKTVPTAFEFTDIAGIVKGASKGEGLGNKFLSHIRQVDAICHVVRAFSDDNITHVSGKVDPIDDIETINLELILADMETVEKRITRVSKLAKQKDKDAVFEFEILSKLKEAFESEKPARSVEFTEEQQKLVKQLHLLTSKPILYVANVSEDEVADPSGNENVAKIREYAAGENAEVIVVCAKIESEIAELEGEEKQMFLEELGIQESGLDQLIKASYSLLGLATYFTAGEQEVRAWTFKKGMKAPECAGIIHSDFERGFIRAETVAYEDLLAGGGMAGAKEAGKVRLEGKEYVVQDGDVIHFRFNV 2DWQ Chain:A ((2-367)) --LAVGIVGLPNVGKSTLFNALTRANALAA-----TIDKNVGVVPLEDERLYALQRTFAKGERVPP--VVPTHVEFVDIAGLVKGAHKGEGLGNQFLAHIREVAAIAHVLRCFPDP---------DPLEDAEVVETELLLADLATLERRLERLRKEARA-DRERLPLLEAAEGLYVHLQEGKPARTFPPSEAVARFLKETPLLTAKPVIYVANVAEEDLPDGRGNPQVEAVRRKALEEGAEVVVVSARLEAELAELSGEEARELLAAYGLQESGLQRLARAGYRALDLLTFFTAGEKEVRAWTVRRGTKAPRAAGEIHSDMERGFIRAEVIPWDKLVEAGGWARAKERGWVRLEGKDYEVQDGDVIYVLFN-

General information: TITO was launched using: RESULT: Template: 2DWQ.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 : 1690 57174 33.83 165.24 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : 33.83 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.499

(partial model without unconserved sides chains): PDB file : Tito_2DWQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DWQ-query.scw PDB file : Tito_Scwrl_2DWQ.pdb: