Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANHIYLAGDSTVQTYGDST--NQGGWGQFLGSHLPE-HIQVINRAIGGRSSKTFVEEGRLQAILDVIEPDDWLFVQMGHNDASKNKPERYTEPYTTYKQYLKQYIAGAREKGAHPLLITPVARFH-YEN-GVFLNDFPDYCIAMKQTAAEENVQLIDLMEKSLAFFTEKGEEKV-YTYFMISEGINDYTHFTKKGANEMAKLVAKGIKELGLPLTESIIKER 2O14 Chain:A ((162-365)) -NRTIYVGGDSTVCNYYPLNSSKQAGWGQMLPHYIDKHTFQVRNMASGGQIARGFRNDGQLEAILKYIKPGDYFMLQLGINDTNPKH----KESEAEFKEVMRDMIRQVKAKGADVILSTPQGRATDFTSEGIHSSVNRWYRASILALAEEEKTYLIDLNVLSSAYFTSIGPERTLGLYM-----DGDTLHPNRAGADALARLAVQELKRQGIA---------

General information: TITO was launched using: RESULT: Template: 2O14.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 : 1107 -97008 -87.63 -489.94 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -87.63 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.519

(partial model without unconserved sides chains): PDB file : Tito_2O14.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2O14-query.scw PDB file : Tito_Scwrl_2O14.pdb: