Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKLDLQPSEKLFIPFITAGDPVPEVSIELAKSLQKAGATALELGVAYSDPLADGPVIQRASKRALDQGMNIVKAIELGGEMKKNGVNIPIILFTYYNPVLQLNKEYFFALLRENHIDGLLVPDLPLEESNSLQEECKSHEVTYISLVAPTSESR-LKTIIEQAEGFVYCVSSLGVTGVRNEFNSSVYPFIRTVKNLSTVPVAVGFGISNREQV-IKMNEISDGVVVGSALVRKIEELKDRLISAETRNQALQEFEDYAMAFSGLYSLK 1WQ5 Chain:B ((16-243)) ---------EGAFVPFVTLGDPGIEQSLKIIDTLIEAGADALELGIPFSDPL-----IQNATLRAFAAGVTPAQCFEMLALIRQKHPTIPIGLLMYANLVFNKGIDEFYAQCEKVGVDSVLVADVPVEESAPFRQAALRHNVAPIFICPPNADDDLLRQIASYGRGYTYLLSRAGVT--ENRAALPLNHLVAKLKEYNAAPPLQGFGISAPDQVKAAIDAGAAGAISGSAIVKIIEQ--------------------------------

General information: TITO was launched using: RESULT: Template: 1WQ5.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1072 -127834 -119.25 -583.71 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -119.25 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.501

(partial model without unconserved sides chains): PDB file : Tito_1WQ5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1WQ5-query.scw PDB file : Tito_Scwrl_1WQ5.pdb: