Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNSVQYLFSCLLGMTTFSVGITPTSAGQMYIYQDKNGSTLLTNRKSYDHSLKKVKVTYYPDSNIHSYSNWGTSEASVLPSYSKNKNAFDHIIKQAAQQHGVSEGLIKAVMHTESGFNVNVRS---PVGAQGLMQLMPATARRFNVS----------NAYDPQQNIFAGAKYLSWLLKRFNG-NTQMALAAYNAGEGNVDKYGGI-------------PPFRETQDYVRRVTSRYQNLYSSGVGLSSFSNSSISAQAINQPAIPHSTSTQVSAQPIKYSSSRQIVTLPDGTYTDAPTGTYVTNNATAIAHIRIE 1QSA Chain:A ((451-618)) -------------------------------------------------------------------------------LAY-------NDLFKRYTSGKEIPQSYAMAIARQESAWNPKV--KSPVG-ASGLMQIMPGTATHTVKMFSIPGYSSPGQLLDPETNINIGTSYLQYVYQQFG-NNRIFSSAAYNAGPGRVRTWLGNSAGRIDAVAFVESIPFSETRGYVKNVLAYDAYYRYFMGDKPTLMSATEWGRRY--------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1QSA.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 : 636 -24560 -38.62 -174.18 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -38.62 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.478

(partial model without unconserved sides chains): PDB file : Tito_1QSA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1QSA-query.scw PDB file : Tito_Scwrl_1QSA.pdb: