Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDTATADIIAGLRAAGLTGE------GEVVLEPLTGGVSCDVWRVDGPA----------GPIVVKRPLEQLRVAAEWHAPVERGASEVRWLRRARGVDPHLVPEVLAELPGHGFAMRFLPDCPVWKDELIAGRVDPAFAAAVGRGIVAVHAATANSAADRDAFP----TDAMFR-ALRV-DPFL------LFVAQKDAELASALYALAD----DLSSRKVALVHGDVSPKNILVGADGPVFLDAECAVYGDPAFDLAFCTTHLLLKAVWL---------GHERLGEAAAALVEAYRAGIDWEDADALALRAGKLTAALLLARVEGKSPAPYLTDPHHKQIVRDQARALLLAPTPIDALVANWKRTKE 3C5I Chain:D ((12-293)) ---TDPLYIKKICLEK-VPEWNHFTEDNLRVKQIL--LTNQLFEVGLKEETANNYNSIRTRVLFRIYGKHVD-------ELYNTISEFEVYKTMSKYK-I-APQLLNTFN-GGRIEEWLYGDPLRIDDL----KNPTILIGIANVLGKFHTLSRKRHLPE-HWDRTPCIFKMMEKWKNQLFKYKNIEKYNCDIHKYIKESDKFIKFMKVYSKSDNLANTIVFCHNDLQENNIINTNKCLRLIDFEYSGFNFLATDIANFFIETSIDYSVSSYPFFEIDKKKYISYENRKLFITAYLSNY--------------------------------------------------------------------

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 : 890 -12574 -14.13 -53.05 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain D : 0.63 3D Compatibility (PKB) : -14.13 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.246

(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: