Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTRKESELEGVTLLGNQGTNYLFEYAPDVLESFPNKHVNRDYFV----------KFNCPEFTSLCPKTGQPDFATIYISYIPD-EKMVESKSLKLYLFSFRNHGDF--HEDCMNIIMNDLIELM-DPRYIEVWGK-------FTPRGGISIDPYTNYGKPGTKYEKMAEYRMMNHDLYPETIDNR 3UXJ Chain:A ((30-161)) ---------------------YANQYDPSLLQPVPRSLNRNDLHLSATLPFQGCDIWTLYELSWLNQ-KGLPQVAIGEVSIPATSANLIESKSFKLYLNSYNQT-RFASWDEVQTRLVHDLSACAGETVTVNVKSLNEYTAEPIVTMQGECIDDQ-------------------------------

General information: TITO was launched using: RESULT: Template: 3UXJ.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 : 378 -59314 -156.91 -534.36 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -156.91 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.356

(partial model without unconserved sides chains): PDB file : Tito_3UXJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UXJ-query.scw PDB file : Tito_Scwrl_3UXJ.pdb: