Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDNSKTRVVVGMSGGVDSSVTALLLKEQGYDVIGIFMKNWDDTDENGVCTATEDYKDVAKVAAQIGIPYYSVNFEKEYWDRVFEYFLAEYRAGRTPNPDVMCNKEIKFKAFLDYAMDLGADYVATGHYAQVTRDENGVVHMLRGVDNNKDQTYFLSQLSQEQLSKTMFPLGGMEKSEVRAIAERAGLATAKKKDSTGICFIGEKNFKQFLSNYLPAKKGNMVTLDGEVKGQHAGLMYYTIGQRQGLGIGGGGDSQEPWFVVGKDLATNTLYVGQGFHHPALYATSLDASEIHFTTNEPMPKEFKCTAKFRYRQQDVPVTVRLLDDNRAEVVFDEPVRAITPGQAVVFYDGMECLGGGLIDHAYQETKVLQYV 5AUP Chain:B ((173-212)) ------------------------LLKEEGHKVIGV-VENMKL-------------KDVEKLAEEFGVPY---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5AUP.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 48 -9389 -195.59 -293.39 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.54 3D Compatibility (PKB) : -195.59 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.855

(partial model without unconserved sides chains): PDB file : Tito_5AUP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AUP-query.scw PDB file : Tito_Scwrl_5AUP.pdb: