Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPVPEQKQTVQLSSPMNAVSSSEDIKPPLGLNGVMKVPAHRIGTLSLSLTKHICAICGDRSSGKHYGVYSCEGCKGFFKRTVRKDLTYTCRDNKDCMIDKRQRNRCQYCRYQKCLAMGMKREAVQEERQRAKERSEAEFGGCANEDMPVEKILEAELAVEPKTETYVEANLSPSANSPNDPVTNICQAADKQLFTLVEWAKRIPHFSDLPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHTAGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPSEVEALRERVYASLEAYCKHKYPDQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPHQIT 6A5Y Chain:D ((4-233)) ------------------------------------------------------------------------------------------------------------------------------------------------EDMPVERILEAELAVE-------------------DPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEA-----

General information: TITO was launched using: RESULT: Template: 6A5Y.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 923 -125831 -136.33 -596.35 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain D : 0.81 3D Compatibility (PKB) : -136.33 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.432

(partial model without unconserved sides chains): PDB file : Tito_6A5Y.pdb: (Unconserved sides chains are recalculated) : Sequence: align-6a5y-query.scw PDB file : Tito_Scwrl_6A5Y.pdb: