Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLVEKLRRKIMQSKTLFLLGLCTIFSTTVSALPLDSKGAKQRLSQAAKQKVFQGKIDLDALVSNDSNDLIVEYNIPSSSVSSGLERRSYIATNKKNLQTRFSRAGGVQVLRDYNNLPLAFYRISNREALIALLNDPNVKAVYPNRINRTTTTESLPLINQPQANTNGFTGEGSSVAVLDTGVNYLHSDFGCTAVNTPSSTCRVVYSFDSAPDDGTLDDDGHGSNVSAIVSKVATK-TKIIGIDVFRKVRSQGKWVSTAYDSDILAGINWAVNNAQTYNIKAVNLSLGVPGVKYTSECSDSSYGTAFANARAAGVVPVVASGNDAFPDGISSPACVAGAVRVGAVYDSNIGGVSWGNPVKCSDPTTAADKVACFSNGGSLVTLLAPGAMITAGGY-------TMGGTSQATPHVAGAIAL-LRANSVSPTESIDQTISRLKATGKPITDSRTGLVFPRIDLLAATNGLTVN 4DZT Chain:A ((18-259)) ----------------------------------------------------------------------------------------------------------------------------------------------------------LPLSN---SYTYTATGRGVNVYVIDTGIRTTHREFGG----------RARVGYDALGGNGQ-DCNGHGTHVAGTIGGVTYGVAKAVNLYAVRVLDCNG----SGSTSGVIAGVDWVTRNHRRPAVANMSLGGGV----------STALDNAVKNSIAAGVVYAVAAGNDNANACNYSPARVAEALTVGA--------------------TTSSDARASFSNYGSCVDLFAPGASIPSAWYTSDTATQTLNGTSMATPHVAGVAALYLEQNPSATPASVASAILNGATTGR--------------------------

General information: TITO was launched using: RESULT: Template: 4DZT.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 : 1572 -39960 -25.42 -171.50 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -25.42 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.391

(partial model without unconserved sides chains): PDB file : Tito_4DZT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DZT-query.scw PDB file : Tito_Scwrl_4DZT.pdb: