Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKFAVFASGNGSNFEAIVTRLKEENWDASAALLVCDKPQAKVIERAEAFHIPSFAFEPKSYENKAAFEQAIIEQLRLHEVELIALAGYMRLIGDTLLQAYGGKIINIHPSLLPAFPGIDAVGQAFRAGVKVAGITVHYVDEGMDTGPIIAQKAIEIDEHDTLETIEQRIHKLEHKWYPSVIKQLLGLNNRGEKA 3KCQ Chain:B ((10-185)) --RVGVLISGRGSNLEALAKAFST---SVVISCVISNNAEARGLLIAQSYGIPTFVVKRKPLDI-----EHISTVLREHDVDLVCLAGFMSILPEKFVTDWHHKIINIHPSLLPSFKGLNAQEQAYKAGVKIAGCTLHYVYQELDAGPIIMQAAVPVLREDTAESLASRILAAEHVCYPKGVK------------

General information: TITO was launched using: RESULT: Template: 3KCQ.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 : 891 -155893 -174.96 -901.12 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : -174.96 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.575

(partial model without unconserved sides chains): PDB file : Tito_3KCQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KCQ-query.scw PDB file : Tito_Scwrl_3KCQ.pdb: