Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHKGWSGHFFCAQNEKGSEKMAEITLEFDTIAAISTPPGEGAISIVRLSGDQAVQLADKVYQSGNK-RLS-EVPSHTIHYGHIVDPKSNQLVDEVMVSVMRAPKTFTREDVVEINCHGGIVVVNQILQLLLREGARLAEPGEFTKRAFLNGRVDLSQAEAVMDLIRAKTDKAMGLALNQLDGNLSALIRSLRQEILETLAQVEVNIDYPEYDDVEELTTKLLLEKAQMIQQRIQALLATSKQGKVLREGLSTAIIGRPNVGKSSLLNHLLREEKAIVTDIAGTTRDVIEEYVNVRGVPLKLIDTAGIRETEDVVERIGVERSRKALAEADLILLVLNQSEPLTAE----DEQLLEATSGLKRIILLNKTDLPAQLEQE-KLKKLIENEPVFSISVAKNDGLDRLESAISDLFFSGETGERDATYVSNTRHIALLEKASLSLEEVIAGIDSGMPVDLVQIDMTRCWDYLGEVVGDSVQDELITQLFSQFCLGK 3GEE Chain:A ((12-476)) ------------------------PVPGHPIAAIATPVGVGALAIVRISGAGVLDLADRVFRKVHGSGKLAEAAGYTAHFGRLYDG--EEMVDEVIALVFRAPRSFTAEQMVEFTCHGGPVVVGRVLRLMLDNGCRLAEPGEFTRRAFLNGRIDLLQAEAIGEMIHARTESAYRTAVSQMKGDLSVRLGGLREQLIRSCALIELELDFSEEDV-EFQSRDELTMQIETLRSEVNRLIDSYQHGRIVSEGVSTVIAGKPNAGKSTLLNTLL------------------EECFIHDKTMFRLTD--------------------MKMAEADLILYLLDLGTERLDDELTEIRELKAAHPAAKFLTVANKLDRAANADALIRAIADGTGTEVIGISALNGDGIDTLKQHMGDLVKNLDKLHEASVLVTSLRHYEALRNASDALQNALELIAHESETELIAFELRAALDYVGQITGKVVNEEVLNTIFDKFCIGK

General information: TITO was launched using: RESULT: Template: 3GEE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1992 5219 2.62 12.43 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : 2.62 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.495

(partial model without unconserved sides chains): PDB file : Tito_3GEE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GEE-query.scw PDB file : Tito_Scwrl_3GEE.pdb: