Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNEKKERIIKTSIRLFAKKGFAATTIQEIASECGISKGAFYLHFKSKEALLLSACEYYIGMSMNKMKNIEEDLAGKPPKEVLKKQIGAQFEDFRDHKDFIVLLLTENIIPENQEIKQYFYKVTMETDKLYRNALLVSYGEGIERYVADLSIMARGIVHSYMNVMVFNGELNIDAEEISAFIIERLDDLVQGLSRSALNPIVSKDIFNPMPAGKDQLLEDIQKVKENSTLPEDITVSLDVIEEELTQDKPRKPIIKGMLSNLAGTNDKEVERLRALILSLSQFDHKKSSL 2FD5 Chain:A ((6-97)) -TQTRARILGAATQALLERGAVEPSVGEVMGAAGLTVGGFYAHFQSKDALMLEAFEQLLGKRRELLGELDPGLSGKE-----RRALAAAFYLSRKHRD-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2FD5.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 : 226 -33538 -148.40 -364.54 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -148.40 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.622

(partial model without unconserved sides chains): PDB file : Tito_2FD5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2FD5-query.scw PDB file : Tito_Scwrl_2FD5.pdb: