Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSELKQDQYWMQQAIELAKRGLYSTKPNPNVGCVIVKDNQVIGEGFHPRAGQPHAEVFALRQAGEQAQGATAYVTLEPCAHYGRTPPCAEALVKAQVKKVVVACPDPNPLVAGKGVQILKNAGIEVEIGICEDLAAQLNQGFLKAMSSGMPYVRLKVASSLDGRTAMASGESKWITGSAARQDVQHWRAISGAVITGIETVIADDCQLNVRPLHNVDIETVAQPKRVILDRRGRLPLTAKIL--ENPETVMVMGP-----YRQELADLGVIQLEIQP----LKTLLQTLSKQYQIYDVLIEAGATLSSAFLQEGLIDEMISYVAPTLLG--QSARAMFNADFEYMAQQLRFKLLDVTQLDQDIRLRLIPTQEKV 2B3Z Chain:A ((13-371)) -----MEEYYMKLALDLAKQGEGQTESNPLVGAVVVKDGQIVGMGAHLKYGEAHAEVHAIHMAGAHAEGADIYVTLEPCSHYGKTPPCAELIINSGIKRVFVAMRDPNPLVAGRGISMMKEAGIEVREGILADQAERLNEKFLHFMRTGLPYVTLKAAASLDGKIATSTGDSKWITSEAARQDAQQYRKTHQSILVGVGTVKADNPSLTCRLPNVTK-----QPVRVILDTVLSIPEDAKVICDQIAPTWIFTTARADEEKKKRLSAFGVNIFTLETERIQIPDVLKILAEE-GIMSVYVEGGSAVHGSFVKEGCFQEIIFYFAPKLIGGTHAPSLISGEGFQSMKDVPLLQFTDITQIGRDIKLTAKPT----

General information: TITO was launched using: RESULT: Template: 2B3Z.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 : 1852 -108865 -58.78 -314.64 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -58.78 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.515

(partial model without unconserved sides chains): PDB file : Tito_2B3Z.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2B3Z-query.scw PDB file : Tito_Scwrl_2B3Z.pdb: