Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGRKWNNIKEKKASKDANTSRIYAKFGREIYVAAKQGEPDPESNQALKVVLERAKTYSVPKNIIERAIEKAKGGAEENYDELRYEGFGPNGSMIIVDALTNNVNRTAPEVRAAFGKNGGNMGVSGSVAYMFDATAVIGVEGKTADEALEILMEADVDVRDILEEDDSAIVYAEPDQFH------AVQEAFKNAGVE--EFTVAELTMLAQ-SEVTLPDDAKEQFEKLIDALEDLEDVQQVYHNVDLGE 4CB9 Chain:A ((108-207)) ----------------------------------------------------------------------------------------------------------------------------------------------------EKFMESELDLNDIIQE--MHVVATMPDLYHLLVELNAVQSLLGLLGHDNTDVSIAVVDLLQELTDIDTLHESEEGAEVLIDALVDGQVVALLVQNLE---

General information: TITO was launched using: RESULT: Template: 4CB9.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 : 235 -24508 -104.29 -284.98 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -104.29 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.509

(partial model without unconserved sides chains): PDB file : Tito_4CB9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CB9-query.scw PDB file : Tito_Scwrl_4CB9.pdb: