Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNEKKERIIKTSIRLFAKKGFAATTIQEIASECGISKGAFYLHFKSKEALLLSACEYYIGMSMNKMKNIEEDLAGKPPKEVLKKQIGAQFEDFRDHKDFIVLLLTENIIPENQEIKQYFYKVTMETDKLYRNALLVSYGEGI-ERYVADLSIMARGIVHSYMNVMVFNGELNIDAEEISAFIIERLDDLVQGLSRSALNPIVSKDIFNPMPAGKDQLLEDIQKVKENSTLPEDITVSLDVIEEELTQDKPRKPIIKGMLSNLAGTNDKEVERLRALILSLSQFDHKKSSL 3BJB Chain:A ((21-203)) -RARHVRMLEAAIELATEKELARVQMHEVAKRAGVAIGTLYRYFPSKTHLFVAVMVDQIDRM------------GESPQDAVYNVLVRATRGLLRRPALSTAMIQST-STANVASVPDA----GKVDRAFRQIMLDAAG--HPTEEDLTALRLLVQLWFGVIQSCLNGRV---SIPDAESDIRRACDLLLVNLS------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3BJB.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 : 696 -107926 -155.07 -634.86 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -155.07 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.530

(partial model without unconserved sides chains): PDB file : Tito_3BJB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BJB-query.scw PDB file : Tito_Scwrl_3BJB.pdb: