Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNYYSKNKENFYQKLTDDPLFSSLTDYLYEHREQETILRELKKEFSQNKFSHFLDLLIDAGLIKREERRYHLNFPIFDPKDYLQQATSAAETIAEQLKRLSVDEQKLAMGEVIWAYCFEDERKEAYFYGVRNSRETE--LLRTTAG-----NEKYRF-ITLSSIEHFPLTLANYFFVQKNQLPVTKAFKELAELIGDVNESYFFDQIEVIVDRIRKNKYKNRRPSIFHQSLLVTNTIKEEESFTLELPIVEKNNFEIELPTLDPSLTMEEMAFLKRQIFSELSKKFIPHAFSYIKEYGTVLVSKT 1Q5B Chain:A ((372-487)) ------------------------------------------------------------------------NAPIFDPKTY--TALVPENEIGFEVQRLSVTDLDMP-GTPAWQAVYKIRVNEGGFFNITTDPESNQGILTTAKGLDFELRKQYVLQITVENAEPF-------------SVPLPTSTATVTVTVEDVNEAPFF-----------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1Q5B.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 : 461 -840 -1.82 -7.77 target 2D structure prediction score : 0.20 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -1.82 2D Compatibility (Sec. Struct. Predict.) : 0.20 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.294

(partial model without unconserved sides chains): PDB file : Tito_1Q5B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1Q5B-query.scw PDB file : Tito_Scwrl_1Q5B.pdb: