Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALFLQRSNQHSNNNRLKRMKSHLRVHYFQHIAGEGFGSCYSFLKAHHATITATEFFALPVDLPLEIEALPYIEDVDLLLIMGGTMSVNDEANYPWLKIEKRWIRRYLAAGKPAIGLCLGGQLIANALGAAVSRNRYQELGWSTVQRVPNLPKESFLLPEKINVMQWHS-ETFEIPKGAIHLAENSVCRNQ-MYQIGSNVLGFQFHPEMTPKVLNLLLENEQELSIFKGEYVQSLDELHHCDIQKFEQGNQLLNRAIEFVVNQ 2A9V Chain:A ((43-182)) --------------------------------------------------------------VPNDIDS-SELDGLDGLVLSGGAPNIDEELDK--LGSVGKYIDDH---NYPILGICVGAQFIALHFGASVVKAKHPEFGKTKVS-VMHSENIFGGLPSEITVWENHNDEIINLPDDFTLAASSATCQVQGFYHKTRPIYATQFHPEV------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2A9V.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 : 684 -52173 -76.28 -378.06 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -76.28 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.507

(partial model without unconserved sides chains): PDB file : Tito_2A9V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2A9V-query.scw PDB file : Tito_Scwrl_2A9V.pdb: