Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPVPEQKQTVQLSSPMNAVSSSEDIKPPLGLNGVMKVPAHRIGTLSLSLTKHICAICGDRSSGKHYGVYSCEGCKGFFKRTVRKDLTYTCRDNKDCMIDKRQRNRCQYCRYQKCLAMGMKREAVQEERQRAKERSEAEFGGCANEDMPVEKILEAELAVEPKTETYVEANLSPSANSPNDPVTNICQAADKQLFTLVEWAKRIPHFSDLPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHTAGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPSEVEALRERVYASLEAYCKHKYPDQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPHQIT 1FM6 Chain:A ((3-234)) -----------------------------------------------------------------------------------------------------------------------------------------------NEDMPVERILEAELAVEPKTETYVEANMGLNPSSPNDPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAP----

General information: TITO was launched using: RESULT: Template: 1FM6.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 : 1006 -117073 -116.37 -504.62 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -116.37 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.436

(partial model without unconserved sides chains): PDB file : Tito_1FM6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1fm6-query.scw PDB file : Tito_Scwrl_1FM6.pdb: