Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEDVQAVRGYLERSGWL-----EGIREVRFLAAGEYNENHYVRASG----------GEYVLRINHGSQLGLGREQIGYEFSVLSAVAPSGVTPRPYRVDPWPEGLSGGTLLMDYLPGRPLDY-----SHDLERAARILARVHALPPDDGLIRQD---RAVLDIVAESEGLLDRYPDHPR----PEM-RDRLLAYRDDVLTLNERSRDFLASEPPVMVNTEVNSGNFIMSHMDGRHGKGDFLVDWEKAVVSTRHQDLGHFLAPTTTLWKT----------DTQLDREQREAFLSAYRRELLLLGAAAPDMDALREGSAILERTILLRALSWSHMAYCEYTRAERAIRNADTLAKIRQYLDNAECFLTWKE 3C5I Chain:D ((14-293)) ---PLYIKKICLEKVPEWNHFTEDNLRVKQIL--LTNQLFEVGLKEETANNYNSIRTRVLFRIYGKHVDEL--YNTISEFEVYKTMSKYKIAPQLLNTF-------NGGRIEEWLYGDPLRIDDLKNPTILIGIANVLGKFHTLSRKRHLPEHWDRTPCIFKMMEKWKNQLFKYKNIEKYNCDIHKYIKESDKFIKFMKVYSKS---DNLANTIVFCHNDLQENNIINTN------KCLRLIDFEYSGFNFLATDIANFFIETSIDYSVSSYPFFEIDKKKYISYENRKLFITAYLSNY----------------------------------------------------------------------

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 D - contact count / total energy / energy per contact / energy per residue : 899 15000 16.69 63.03 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain D : 0.64 3D Compatibility (PKB) : 16.69 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.263

(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: