Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------MGHYSHSDIEEAVKSAKKEGLKDYLYQEPHGK-KRSHKKSHRTHKKSRSHKKSYCSHKKSRSHKKSFCSHKKSRSHKKSYCSHKKSRSHKKSYRSHKKSRSYKKSYRSYKKSRSYKK---SCRSYKKSRSYKKS---YCSHKKKSR----SYKKSCRTHKKSYRSHKKYYKK------PHHHCDDYKRHD---------------DYDSKKEY----W--------KDGNCWVVKKKYK--------------- 4UX8 Chain:C ((25-343)) DRLDCVKASDQCLKEQSCSTKYRTLRQCVAGKETNFSLTSGLEAKDECRSAMEALKQKSLYNCRCKRGMKKEKNCLRIYWSMYQSKGNNCLDAAKACNLDDTC--KKYRSAYITPCTTSMSNEVCNRRKCHKALRQFFDKV---PAKHSYGMLFCSCRDIACTERRRQTIVPVCSYEERERPNCLSLQDSCKTNYICRSRLADFFTNCQPESRSVSNCLKENYADCLLAYSGLIGTVMTPNYVDSSSLSVAPWCDCSNSGNDLEDCLKFLNFFKDNTCLKNAIQAFGNG

General information: TITO was launched using: RESULT: Template: 4UX8.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 612 60218 98.39 316.93 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain C : 0.63 3D Compatibility (PKB) : 98.39 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.236

(partial model without unconserved sides chains): PDB file : Tito_4UX8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UX8-query.scw PDB file : Tito_Scwrl_4UX8.pdb: