Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSATTDRTQRPLLSKSKKLNSLHSKSSPALNFDESHSLSIKRRKVNTRDPAVYFVTIGSKRMLLRIYGIGCEQILDRDKELDWLSRLSRLNIGPSLLGTFDNGRFEEYLESTTLTWHDLRDPFISAQIASRLNQLHSIVDT--FP------PAENEPLEVWQNIDKWYRSLESEVLSTLKKNPVWAKMIEQSLDLSQLHKDIETCKSILNTLSTPTVFAHNDTQYGNILKIENTDE-LVVIDFEYAGYNPRGYDIANHFCEWMYDYH-SSEP-AKMNHKSYPTHKEQVRFLTAY-----DKHHVT-------ELLREVELWKMACHLFWGLWGLVQASQSEIDFDYFGYSLERLSVFKQELDAKATQIA 3C5I Chain:B ((68-352)) ------------------------------------------------------------RVLFRIYGKHVDELYNTISEFEVYKTMSKYKIAPQLLNTFNGGRIEEWLYGDPLRIDDLKNPTILIGIANVLGKFHTLSRKRHLPEHWDRTPCIFKMMEKWKNQLFKYKNIE-------KYNCDIHKYIKESDKFIKFMKVYSKSDNLANTI----VFCHNDLQENNII---NT-KCLRLIDFEYSGFNFLATDIANFFIETSIDYSVSSYPFFEIDKKKYISYENRKLFITAYLSNYLD-----PTPKLIDEILEAVEVQALGAHLLWGFWSIIRGYQTK--FDFFLYAEQRLKMY------------

General information: TITO was launched using: RESULT: Template: 3C5I.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 : 1066 -2160 -2.03 -8.57 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -2.03 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.355

(partial model without unconserved sides chains): PDB file : Tito_3C5I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3c5i-query.scw PDB file : Tito_Scwrl_3C5I.pdb: