Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALTAGIVGLPNVGKSTLFNAITQAGAESANYPFCTIDPNVGIVEVPDDRLQKLTELVNPKKTVPTAFEFTDIAGIVKGASKGEGLGNKFLSHIRQVDAICHVVRAFSDDNITHVSGKVDPIDDIETINLELILADMETVEKRITRVSKLAKQK-----DKDAVFEFEILSKLKEAFESEKPAR-----SVEFTEEQ-QKLVKQLHLLTSKPILYVANVSEDEVADPSGNENVAKIREYAAGENAEVIVVCAKIESEIAELEGEEKQMFLEELGIQESGLDQLIKASYSLLGLATYFTAGEQEVRAWT-----FKKGMKAPECAGIIHSDFERGFIRAETVAYEDLLAGGGMAGAKEAGKVRLEGKEYVVQDGDVIHFRFNV 4A9A Chain:A ((65-369)) -VASVGFVGFPSVGKSTLLSKLTGTESEAAEYEFTTLVTVPGVIRYKG-----------------AKIQMLDLPGIIDG-----GRGKQVIAVARTCNLLFIILDVNKP------------LHHKQIIEKELEGVGIRLNKTPPDILIKKKEKGGISITNTVPLTHLG-NDEIRAVMSEYRINSAEIAFRCDATVDDLIDVLEA-SSRRYMPAIYVLNKIDSLSIE-----ELELL-----YRIPNAVPISSGQDW----------------------NLDELLQVMWDRLNLVRIYTKPKGQIPDFTDPVVLRSDRCSVKDFCNQIHKSLVDDFRNALVYG---------S-SVKHQP--QYVGLSHILEDEDVVTILKK-

General information: TITO was launched using: RESULT: Template: 4A9A.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 : 1205 -26168 -21.72 -92.14 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -21.72 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.309

(partial model without unconserved sides chains): PDB file : Tito_4A9A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4A9A-query.scw PDB file : Tito_Scwrl_4A9A.pdb: