Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKNELPIEQIEKINFAVRKGLGTN-----NWELMSLLSGGLTGIPVYRIIVEN----------KSYAIKLEDVND-KDFDLQRSYKILETVSSQGIAPLVYFTDADQGIVLMKYIESKPRPE---ASPETIQKFSSLIRELHAKNSFPKW---KS----VIEILELVYQRLTLEY--KK----SKLIKESMHEINKMINV----LFDQNDIRSCHCDLNPVNILFDGEKYFFVDWQAASPQSFYFDLAYCSNWFYFY------------------NEDLCALFLKSYFGRE-----VTEEE----NAKYYLMRIFTYIYLGIGFISLPFKENQNIPILSDENIEKLPSYLKFMQSLGSGVVDLENADVQQQFGFIFLKTAIKMMDQRYKHAYEFLLNKKTIN 3C5I Chain:D ((14-332)) ----------PLYIKKICLEKVPEWNHFTEDNLRVKQIL--LT-NQLFEVGLKEETANNYNSIRTRVLFRIYGKHVDELYNTISEFEVYKTMSKYKIAPQLLNTF--NGGRIEEWLYGDPLRIDDLKNPTILIGIANVLGKFHTLSRKRHLPEHWDRTPCIFKMMEKWKNQLFKYKNIEKYNCDIHKYIKESDKFIKFMKVYSKSDNLANTIVFCHNDLQENNIINTNKCLRLIDFEYSGFNFLATDIANFFIET-SIDYSVSSYPFFEIDKKKYISYENRKLFITAYLSNYLDKVVPTPKLIDEILEAVEVQALGAHLLWGFWSIIRGYQ------------------------------------------------------------------------

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 : 948 -27872 -29.40 -110.60 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain D : 0.61 3D Compatibility (PKB) : -29.40 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.304

(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: