Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEAYKNAGVDIEAGYEAVKRMKKHVERTKRLGVMGSLGGFGGMFDLSELSYQKPVLISGTDGVGTKLKLAFSMDKHDTIGVDAVAMCVNDVLAQGAEPLFFLDYLAVGKADPVKIEQIVQGVAEGCEQSGSALVGGETAEMPGLYTADEYDIAGFSVGVAEKDEIVTGEKIEEGHLLIGLSSSGLHSNGFSLVRKVLLDDAELDLDTTYEPFERPLGEELLEPTRIYVKPVLAAVKSGKIDGMAHVTGGGFIENIPRMLPEGLSAEIDHGSWPIPPIFSFLQEYGKLKEEDMFNVFNMGIGFVLAVKEEHLTDVIGTLESHGEKAYLIGRVKKGEGVTFGGAALS 1CLI Chain:D ((21-337)) ----------------ALVGRIKGVVKKTRRPEVMGGLGGFGALCALPQ-KYREPVLVSGTDGVGTKLRLAMDLKRHDTIGIDLVAMCVNDLVVQGAEPLFFLDYYATGKLDVDTASAVISGIAEGCLQSGCSLVGGETAEMPGMYHGEDYDVAGFCVGVVEKSEIIDGSKVSDGDVLIALGSSGPHSNGYSLVRKI-LEVSGCDPQTT-ELDGKPLADHLLAPTRIYVKSVLELIEKVDVHAIAHLTGGGFWENIPRVLPDNTQAVIDESSWQWPEVFNWLQTAGNVEHHEMYRTFNCGVGMIIALPAPEVDKALALLNANGENAWKIGIIKASD----------

General information: TITO was launched using: RESULT: Template: 1CLI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1794 -192416 -107.26 -606.99 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain D : 0.85 3D Compatibility (PKB) : -107.26 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.559

(partial model without unconserved sides chains): PDB file : Tito_1CLI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1CLI-query.scw PDB file : Tito_Scwrl_1CLI.pdb: