Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MLVYIGNGHYCYSNSTAMFLSSIGEN-VSPQLVEILTGVGLGAMIEYEKNLYFSMRDPDDGINYALNILGFTAEEHQQASDLDDPFPLLKQQIKQNPVILGPLDMGELTYHPNHKNLNGSDHYVLGYQMDNENIYVQDPAGFPFVPLSLDQFKKAWMAERIPYRKGINKYWSTAKKVVTLDNNEIYERAIDYFKRTYRKFEKVDIGLIGREAICFYADQLLNAPITADTIRHTTFFLFQLSARRANDYAMYFKDRHSHLSVLKTEQAKVFGICHSMSVNKDWKGISEKLMKLADLEDNFRLELLKVGY 3KJH Chain:A ((1-254)) MKLAVAGKGGVGKTTVAAGLIKIMASDYDKIYAVDGDPDSCLGQTLGLSIEEAYAITPLIEM-----------KDEIREKTGDGGLLIL-------NPKVDGDLDK-----------------YG---RYIDDKIFLIRMGEIK------KGGSQCYCRENSFLGSVVSALFLDKKEAVVMDMGA----GIEHLTRGTAKAVDMMIAVIEPNLNSIKTGLNIEKLAGDLGIKKVRYVINKVRNIKEEKLIKKHLPEDKILGIIPYNELFIEL---SLKGEEIWQSTNPAFVNLHDIYQKLRLEVG----

General information: TITO was launched using: RESULT: Template: 3KJH.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 : 1323 28451 21.50 112.90 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 21.50 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.211

(partial model without unconserved sides chains): PDB file : Tito_3KJH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KJH-query.scw PDB file : Tito_Scwrl_3KJH.pdb: