Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MWQAISHLLSEQLGEGEIELRNELPGGEIHAAWHLRYA-GRDLFVKCDEREL-LPIFTAEADQLELLSRS-KTVTVPQVWAVGSDRDYSFLVMEFLPARPLDA-------------------HNAFILGQQLARLHQWSDQPQFGLDFDNDLSTTPQPNAWQRRWSTFFAEQRIGWQLELAAEKGLEFGNIDAIVEHIQQRLAS---HQPQPSLLHGDLWSDNCALGP-DGPY-IFDP-ACYWGDRECDLAMLPL--HPEQPPQIYDGYQSVLPLPQGFLERQPVYQLYTLMNRAILFGGEHLVNAQRALERVLAA 5IWU Chain:A ((8-257)) ----VIEIAKKHNLFLKEETIQFNESGLDFQAVFAQDNNGIDWVLRLPRREDVMPRTKVEKQALDLVNKYAISFQAPNWIIY----TEELIAYKKLDGVPAGTIDHNIGNYIWEIDINNVPELFHKSLGRVLAELHSIPSNKAAALDLV---V--HTPEEARMSMKQRMDAVRAK-----FG----V---GENLWNRWQAWLNDDDMWPKKTGLIHGDVHAGHTMIDKDANVTGLIDWTEAKVTDVSHDFIFNYRAFGEEGLEALILAYKEIGGY-----------------------------------------

General information: TITO was launched using: RESULT: Template: 5IWU.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 : 862 -17612 -20.43 -80.05 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -20.43 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.269

(partial model without unconserved sides chains): PDB file : Tito_5IWU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5iwu-query.scw PDB file : Tito_Scwrl_5IWU.pdb: