Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKEMLNALDALEAEKGISKEIVIDALEAALVSAYKRHYGQAQNVEVEFDQKKGKIHVYAVKEVTEEVMDSQLEVSLKDALLINPAYEIGDTIRFEVTPKDFGRIAAQTAKQVILQRVREAERTIIYNEFSAYEKDIMQGIVERQDKRYIYVNLGKIEAVLSKQDQMPNEFYQPHDRIKVYVSRVENTSKGPQVFVSRSHPDLLRRLFEQEVPEVYDGIVEIVSIAREAGDRSKVAVRSNDPNIDAVGTCVGPKGQRVQAIVNELKGENMDIVEWNEDPAVFIANALNPAQVMDVIFDETNPKACTVVVPDYQLSLAIGKRGQNARLAAKLTNHKIDIKSESDMTEFYENQEQQKETEELHDEAIVQSDLTDDEYETIAFNNETVEEKPEA 2KWP Chain:A ((1-126)) MNKEILAVVEAVSNEKALPREKIFEALESALATATKKKYEQEIDVRVQIDRKSGDFDTFRRWLVVDEVTQPTKEITLEAARYEDESLNLGDYVEDQIESVTFDRITTQTAKQVIVQKVREAERAML-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2KWP.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 : 472 -29487 -62.47 -234.02 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -62.47 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.658

(partial model without unconserved sides chains): PDB file : Tito_2KWP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2KWP-query.scw PDB file : Tito_Scwrl_2KWP.pdb: