Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPVPEQKQTVQLSSPMNAVSSSEDIKPPLGLNGVMKVPAHRIGTLSLSLTKHICAICGDRSSGKHYGVYSCEGCKGFFKRTVRKDLTYTCRDNKDCMIDKRQRNRCQYCRYQKCLAMGMKREAVQEERQRAKERSEAEFGGCANEDMPVEKILEAELAVEPKTETYVEANLSPSANSPNDPVTNICQAADKQLFTLVEWAKRIPHFSDLPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHTAGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPSEVEALRERVYASLEAYCKHKYPDQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPHQIT 5Z12 Chain:B ((1-231)) ------------------------------------------------------------------------------------------------------------------------------------------------EDMPVERILEAELAVEPKTE--------------NDPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAP----

General information: TITO was launched using: RESULT: Template: 5Z12.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 925 -115717 -125.10 -533.26 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -125.10 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.372

(partial model without unconserved sides chains): PDB file : Tito_5Z12.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5z12-query.scw PDB file : Tito_Scwrl_5Z12.pdb: