Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNSVQYLFSCLLGMTTFSVGITPTSAGQMYIYQDKNGSTLLTNRKSYDHSLKKVKVTYYPDSNIHSYSNWGTSEASVLPSYSKNKNAFDHIIKQAAQQHGVSEGLIKAVMHTESGFNVNVRSPVGAQGLMQLMPATARR------FNVSNAYDPQQNIFAGAKYLSWLLKRFNGNTQMALAAYNAGEGNVDK-----------YGGIPPFRETQDYVRRVTSRYQNLYSSGVGLSSFSNSSISAQAINQPAIPHSTSTQVSAQPIKYSSSRQIVTLPDGTYTDAPTGTYVTNNATAIAHIRIE 5MPQ Chain:A ((416-550)) ----------------------------------------------------------------------------------------FKDTVIRHAQNVNVDPAWVYGLIRQESRFVIGAQSRVGAQGLMQVMPATAREIAGKIGMDAAQLYTADGNIRMGTWYMADTKRRLQNNEVLATAGYNAGPGRARRWQADTPLEGAVYAETIPFSETRDYVKKVMA---------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5MPQ.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 : 492 -17329 -35.22 -146.86 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -35.22 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.583

(partial model without unconserved sides chains): PDB file : Tito_5MPQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5MPQ-query.scw PDB file : Tito_Scwrl_5MPQ.pdb: