Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MKAWIRQLL--YKIKQSSGAVF-LCFVLKNLKFVFVSFRKIRYTVCKRFQRSPVMAKTFFIPNKQSILGEQEILNAKSILALLDGLESHSYDVVYLRQPLNRLEYIECAIVGQSQFLFKVSYADGQKAYRVDLPDLLTKTDWQIIKSFLDALLAYTGTDIEGLDGFDFEAYFQASIQAYLADP---VARFTICQGIFNPIFFSRENLKSFLEADGLAQFEARVRAVQETDAYFARV-SFYQDGEGKVHGVYHLAQGVKTV--LPREPFVPAAYIEQLVDKEVQWEIDLVQITGDGSKPEDYEAIARLDYAKFLEVLPPSFYHQLDANQIEIQPILGQDFKTLAQEK 4R1D Chain:B ((1-301)) MDKTGWITHCFGRFLIDLPPDAVINAGYYLWGDRIEYLDDK--PTELAARVDRLEQEWRTQRHKSKGNMFLRKIDFGNESVGLLSWSSEVAS-----------KTYLLDTYVTSKPTW--HVYRWKGKVS------VDREQHAVEISRALARNLRSRAPKEIPSEPGFCID-------HAYIAGDSFQVERFGVGVT--------------FPEHPG-ARFEFRSSTGAELNSLLERVDGFVQNMLSTFAGMETLRKGKHPVGSLPGEEYLVAGSDKGQRGYTFMWEVQGKE--ESLTEPNLTAGLAVLERSNENGKPPPPAFKS-DKEALELWDTIVDSIRVRPTS-

General information: TITO was launched using: RESULT: Template: 4R1D.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 : 1371 40238 29.35 138.75 target 2D structure prediction score : 0.27 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : 29.35 2D Compatibility (Sec. Struct. Predict.) : 0.27 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.134

(partial model without unconserved sides chains): PDB file : Tito_4R1D.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R1D-query.scw PDB file : Tito_Scwrl_4R1D.pdb: