Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKLDLQPTEKLFIPFITAGDPVPEVSIELAKSLQKAGATALELGVAYSDPLADGPVIQRASKRALDQGMNIVKAIELGGEMKKNGVNIPIILFTYYNPVLQLNKEYFFALLQENHIDGLLVPDLPLEESNSLQEECKSHEVTYISLVAPTSESR-LKTIIEQAEGFVYCVSSLGVTGVRNEFNSSVYPFIRTVKNLSTVPVAVGFGISNREQV-IKMNEISDGVVVGSALVRKIEELKDRLISAETRNQALQEFEDYAMAFSGLYSLK 5BW6 Chain:A ((16-243)) ---------EGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALELGVPFSDPLADGPTIQNANLRAFAAGVTPAQCFEMLALIREKHPTIPIGLLMYANLVFNNGIDAFYARCEQVGVDSVLVADVPVEESAPFRQAALRHNIAPIFICPPNADDDLLRQVASYGRGYTYLLSR-------------LHHLIEKLKEYHAAPALQGFGISSPEQVSAAVRAGAAGAISGSAIVKIIEK--------------------------------

General information: TITO was launched using: RESULT: Template: 5BW6.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 : 1155 -173486 -150.20 -814.49 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -150.20 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.533

(partial model without unconserved sides chains): PDB file : Tito_5BW6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BW6-query.scw PDB file : Tito_Scwrl_5BW6.pdb: