Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKFKIFLFIEACLLTGALILMVSEHFSRFLLILFLFLLLIRYYTGKEGNNLLLVAATILFFFIVMLNPFVILAIFVAVIYSLFLLYPMMNQEKEQTNLVFEEVVTVKKEKNRWFGNLHHFSS-YQTCQF-DDINLFRF----MGKDTIHLERVI-------------LTNHDNVIILRKIVGTTKIIVPVDVEVSLSVNCLYGDLTFFNQPKRALRNEHYHQETKDYLKSNKSVKIFLTTMIGDVEVVRG 2LOK Chain:A ((114-185)) ---------------------------------------------------------------------------------------------------------------FVPFTDETT-DDGRTYE-HGRYLDVDPAGADGGDEVALDFNLAYNPFCAYGGSFSCALPPADNHVPAAITAGER------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2LOK.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 : 126 -655 -5.20 -12.36 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain A : 0.44 3D Compatibility (PKB) : -5.20 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.44 QMean score : -0.024

(partial model without unconserved sides chains): PDB file : Tito_2LOK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2LOK-query.scw PDB file : Tito_Scwrl_2LOK.pdb: