Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNYYSKNKENFYQKLTDDPLFSSLTDYLYEHREQETILRELKKEFS-QN-K-FSHFLDLLIDAGLIKREERRYHLNFPIFDPKDYLQQATSAAETIAEQLKRLSVDEQKLAMGEVIWAYCFEDERKEAYFYGVRNSRETELLRTTAGNEKYRFITLSSIEHFPLTLANYFFVQKNQLPVTKAFKELAELIGDVNESYFFDQIEVIVDRIRKNKYKNRRPSIFHQSLLVTNTIKEEESFTLELPIVEKNNFEIELPTLDPSLTMEEMAFLKRQIFSELSKKFIPHAFSYIKEYGTVLVSKT 4KA4 Chain:E ((12-61)) -----------------QQREEDIYRFLKDN--GPQRALVIAQALGMRTAKDVNRDLYRMKSRHLLDMD---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4KA4.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 131 -7360 -56.18 -156.60 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain E : 0.54 3D Compatibility (PKB) : -56.18 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.627

(partial model without unconserved sides chains): PDB file : Tito_4KA4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KA4-query.scw PDB file : Tito_Scwrl_4KA4.pdb: