Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKIKVCVADDNRELVSLLSEYIEGQEDMEVIGVAYNGQECLSLFKEKDPDVLVLDIIMPHLDGLAVLERLRESDLKKQPNVIMLTAFGQEDVTKKAVDLGASYFILKPFDMENLVGHIRQVSGNASSVTHRAPSSQSSIIRSSQPEPKKKNLDASITSIIHEIGVPAHIKGYLYLREAISMVYNDIELLGSITKVLYPDIAKKFNTTASRVERAIRHAIEVAWSRGNIDSISSLFGYTVSMTKAKPTNSEFIAMVADKLRLEHKAS 4LDZ Chain:B ((6-120)) ---ISIFIAEDQQMLLGALGSLLNLEDDMEVVGKGTTGQDAVDFVKKRQPDVCIMDIEMPGKTGLEAAEELKDTGCK----IIILTTFARPGYFQRAIKAGVKGYLLKDSPSEELANAIRSV-------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4LDZ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 589 -97496 -165.53 -847.79 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -165.53 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.769

(partial model without unconserved sides chains): PDB file : Tito_4LDZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LDZ-query.scw PDB file : Tito_Scwrl_4LDZ.pdb: