Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKEMLNALDALEAEKGISKEIVIDALEAALVSAYKRHYGQAQNVEVEFDQKKGKIHVYAVKEVTEEVMDSQLEVSLKDALLINPAYEIGDTIRFEVTPKDFGRIAAQTAKQVILQRVREAERTIIYNEFSAYEKDIMQGIVERQDKR----YIYVNLGK----IEAVLSKQDQMPNEFYQPHDRIKVYVSRVENTSKGPQVFVSRSHPDLLRRLFEQEVPEVYDGIVEIVSIAREAGDRSKVAVRSNDPNIDAVGTCVGPKGQRVQAIVNELKGENMDIVEWNEDPAVFIANALNPAQVMDVIFDETNPKACTVVVPDYQLSLAIGKRGQNARLAAKLTNHKIDIKSESDMTEFYENQEQQKETEELHDEAIVQSDLTDDEYETIAFNNETVEEKPEA 2ATW Chain:A ((3-223)) ---------------------------------------------------------------------------------------------------------------------------------FSTREGEIVAGVIQRDSRANARGLVVVRIGTETKASEGVIPAAEQVPGESYEHGNRLRCYVVGVTRGAREPLITLSRTHPNLVRKLFSLEVPEIADGSVEIVAVAREAGHRSKIAVRSNVAGLNAKGACIGPMGQRVRNVMSELSGEKIDIIDYDDDPARFVANALSPAKVVSVSVIDQTARAARVVVPDFQLSLAIGKEGQNARLAARLTGWRIDIRGDA-------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2ATW.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 : 1054 53994 51.23 253.49 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 51.23 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.478

(partial model without unconserved sides chains): PDB file : Tito_2ATW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ATW-query.scw PDB file : Tito_Scwrl_2ATW.pdb: