Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNHPAAQPTNQTSSHSPASPSNTEPCEQQSLKQQLLKQQPLKEQSLKQQSREQQLHTWLNEVFP-N-----QSLQHEKIPGDASFRSYHRLTVDN----------QHYIVMDAPPAK---ESVKEFIAVGNLMA-GYVHVPKMIATDEQQGFIVLEDLGNTDFADVIAKDLTDAGELAKTARYYQQAMQEILAIQKIDINDAKAVIPSYDDA-LLRREMGLFSDWFLPYIG-VKMTP---DLETLWQDLQSDIIQ----QVIAQPQVVVHRDFHSRNLMVLSHSDELGVIDFQDAVIGAYTYDLASLLRDAYIN----------------YDENWVNTHLAHYHQLAQLDKSLAEFTVDFNIMSMQRHLKVLGIFVRLFERDGKDRYLVNLPKVFNDLLTCLKAISQWDKRPTFDKFADWMTAAAAPAFQQKIQG 3C5I Chain:D ((11-293)) ------------------------------------------------LTDPLYIKKICLEKVPEWNHFTEDNLRVKQIL--LTNQ-LFEVGLKEETANNYNSIRTRVLFRIYGKHVDELYNTISEFEVYKTMSKYKI-APQLLNTF--NGGRIEEWLYGDPLRIDDL----------KNPTILIGIANVLGKFHTLSRKRHLP--EHWDRTPCIFKMMEKWKNQLFKYKNIEKYNCDIHKYIKESDKFIKFMKVYSKSDNLANTIVFCHNDLQENNIINTN--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 : 868 -24008 -27.66 -102.60 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain D : 0.61 3D Compatibility (PKB) : -27.66 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.287

(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: