Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALTAGIVGLPNVGKSTLFNAITQAGAESANYPFCTIDPNVGIVEVPDDRLQKLTELVNPKKTVPTAFEFTDIAGIVKGASKGEGLG---NKFLSHIRQVDAICHVVRAFSDDNITHVSGKVDPIDDIETINLELILADMETVEKRITRVSKLAKQKDKDAVFEFEILSKLKEAFESEKPARSVEFTEEQQKLVKQLHLLTSKPILYVANVSEDEVADPSGNENVAKIREYAAGENAEVIVVCAKIESEIAELEGEEKQMFLEELGIQESGLDQLIKASYSLLGLATYFTAGEQEVRAWTFKKGMKAPECAGIIHSDFERGFIRAETVAYEDLLAGGGMAGAKEAGKVRLEGKEYVVQDGDVIHFRFNV 2QTF Chain:A ((179-270)) -IPSIGIVGYTNSGKTSLFNSLTGL-----------MSPKRYAIPINN-----------------RKIMLVDTVGFIRGIP--PQIVDAFFVTLSEAKYSDALILVIDSTFS-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2QTF.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 : 263 -46395 -176.41 -594.81 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -176.41 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.498

(partial model without unconserved sides chains): PDB file : Tito_2QTF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QTF-query.scw PDB file : Tito_Scwrl_2QTF.pdb: