Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKAGAADSAPTPKPQDGPARAWVARLVQRRFG-ERPRGLQALGGGLNNHVYQLQAGG-QPLVVRLHQDPGKLAVYRKEAWAMGQARKAG--VPTPQVLEVGEEGGHPYMLQRLVEGIPGTQW--------------ADGNAVLRQMGELAARLHQVATQGFGPAVGGSAVPGQRSWPHWADFLDHELRVGERLGMLDRVNALPTPARQALTATLAQMRRWSRRPVLQHGDLRLKNVIVSPRDGRIVALIDWEDCLSAPPPHWELAIALHDLGPDGKEVFLEGYGLSAARFARIAPQLRALNVLNYAWAIHLALQDGQRRRAEWMKARLRGVFDVAL 5UXA Chain:A ((3-257)) ------------------KDIKQVIEIAKKHNLFLKEETIQFNESGLDFQAVFAQDNNGIDWVLRLPRREDVMPRTKVEKQALDLVNKYAISFQAPNWIIY----TEELIAYKKLDGVPAGTIDHNIGNYIWEIDINNVPELFHKSLGRVLAELHSIPSNKAA--ALDLVV---HTPEEARMSMKQRMDA---VRAKF---GVGENLWNRWQAWLNDDDMWPKKTGLIHGDVHAGHTMIDKD-ANVTGLIDWTEAKVT-DVSHDFIFNYRAFGEEGLEALILAYKEIGGY-----------------------------------------------

General information: TITO was launched using: RESULT: Template: 5UXA.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 : 934 8723 9.34 36.80 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 9.34 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.288

(partial model without unconserved sides chains): PDB file : Tito_5UXA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5uxa-query.scw PDB file : Tito_Scwrl_5UXA.pdb: