Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNNMHSQTTIAAIATPPGRGGVGVIRLSGPKAYNIAQKLTQK-----NLPEA--RMAGFRKFYDTDGSIMDEGIVLCFPNPHSFTGEDVVELQGHGGPVIQNALLGRLFELGANAAKAGEFSMRAFENGKMDLVQAEAIADLIDATSQAAARSAVRSLQGAFSTKINTVLEKLIHLRLHVEAAIDFPEEEIDFLADGKILALLEDVQQSVHAVQTSARQGQLLREGLQVVIAGKPNAGKSSLLNALAGVERAIVTDIAGTTRDVLHEKISLNGLPITLTDTAGLRETGDVVEKEGIRRAIKEIEQADLLLLVYDL--NQGDDPLKLAQEYFAEHIEPRRLMLIGNKCDLTGQS----AEISDYQGFRHITVSAKQEMGV----QGLVDAITAHAGFHPEEDTFIARTRHLDAMTRTQLYLAEAREQLVVFNAGELVAESLRLAQNALGEITGDFSADDLLGKIFGSFCIGK 3GEI Chain:A ((18-476)) ---------IAAIATPVGVGALAIVRISGAGVLDLADRVFRKVHGSGKLAEAAGYTAHFGRLYDGE-EMVDEVIALVFRAPRSFTAEQMVEFTCHGGPVVVGRVLRLMLDNGCRLAEPGEFTRRAFLNGRIDLLQAEAIGEMIHARTESAYRTAVSQMKGDLSVRLGGLREQLIRSCALIELELDFSEEDVEFQSRDELTMQIETLRSEVNRLIDSYQHGRIVSEGVSTVIAGKPNAGKSTLLNTLL------------------EECFIHDKTMFRLTD--------------------MKMAEADLILYLLDLGTERLDDELTEIRELKAAH-PAAKFLTVANKLDRAANADALIRAIADGTGTEVIGISALNGDGIDTLKQHMGDLVKNL-----EASVLVTSLRHYEALRNASDALQNALELIAHESETELIAFELRAALDYVGQITGKVVNEEVLNTIFDKFCIGK

General information: TITO was launched using: RESULT: Template: 3GEI.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 : 1831 -33468 -18.28 -83.67 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -18.28 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.474

(partial model without unconserved sides chains): PDB file : Tito_3GEI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GEI-query.scw PDB file : Tito_Scwrl_3GEI.pdb: