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 3GEE Chain:A ((18-476)) ---------IAAIATPVGVGALAIVRISGAGVLDLADRVFRKVHGSGKLAEAAGYTAHFGRLYDGE-EMVDEVIALVFRAPRSFTAEQMVEFTCHGGPVVVGRVLRLMLDNGCRLAEPGEFTRRAFLNGRIDLLQAEAIGEMIHARTESAYRTAVSQMKGDLSVRLGGLREQLIRSCALIELELDFSEEDVEFQSRDELTMQIETLRSEVNRLIDSYQHGRIVSEGVSTVIAGKPNAGKSTLLNTLL------------------EECFIHDKTMFRLTD--------------------MKMAEADLILYLLDLGTERLDDELTEIRELKAAH-PAAKFLTVANKLDRAANADALIRAIADGTGTEVIGISALNGDGIDTLKQHMGDLVKNLDKLH-EASVLVTSLRHYEALRNASDALQNALELIAHESETELIAFELRAALDYVGQITGKVVNEEVLNTIFDKFCIGK

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 : 1882 -26711 -14.19 -66.12 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -14.19 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.424

(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: