Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSMQEKIMRELHVKPSIDPKQEIEDRVNFLKQYVKKTGAKGFVLGISGGQDSTLAGRLAQLAVESIREEGGDAQFIAVRLPHGTQQDEDDAQLALKFIK--PDKSWKFDIKSTVSAFSDQYQQETGDQLTD--FNKGNVKARTRMIAQYAIGGQEGLLVLGTDHAAEAVTGFFTKYGDGGADLLPLTGLTKRQGRTLLKELGAPERLYLKEPTADLLDEKPQQSDETELGISYDEIDDYLEGKEVSAKVSEALEKRYSMTEHKRQVPASMFDDWWK 3FIU Chain:D ((9-243)) ------------------PKEYSQKLVNWLSDSCMNYPAEGFVIGLSGGIDSAVA---ASLAVKT------GLPTTALILPSDNNQHQD-MQDALELIEMLNIEHYTISIQPAYEAFLASTQSFT------QLVIKGNAQARLRMMYLYAYAQQYNRIVIGTDNACEWYMGYFTKFGDGAADILPLVNLKKSQVFELGKYLDVPKNILDKAPSAGLWQG---QTDEDEMGVTYQEIDDFLDGKQVSAKALERINFWHNRSHHKRKL----------

General information: TITO was launched using: RESULT: Template: 3FIU.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 : 1102 -68453 -62.12 -304.23 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain D : 0.76 3D Compatibility (PKB) : -62.12 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.517

(partial model without unconserved sides chains): PDB file : Tito_3FIU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3FIU-query.scw PDB file : Tito_Scwrl_3FIU.pdb: