Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAELNTPLTVGDFEIKNRLVMAPLTRARSGESRVPNDLMVEYYQQRANAGLILTEATVIGSKTVGYADTPGLWSQEQAQAWNKIIEAVHAQGSKIVVQLWHVGRISHPELLDGDIPVAPSAIQPAGEVSLLRPKRPYVTPRALSIEEIQEIVAQYKHSAELAKAAGFDGVELHAANGYLIDQFLQSNTNQRDDEYGGPVENRARLLLEVVDAFIEVWGAGRVGVHIAPRGDSHDMGDENPLATFGYVVEQLSQRNVAFIFSREYEAADSI---------SPQLRKKFNGVWIANENLTPESAKRILREGQADAVSFGKAYIANPDLLQRLEQGLPLNELQPTTLYAKGAEGYTDYPALEAS 5K1M Chain:A ((18-339)) --KLNDTIT-----LKNRILMAPLTRCMADANLVPTDDMVAYYARRAEAGLIISEATIIRPDAQGYPNTPGIFTQAQIAGWRKVTDAVHANGGKIFVQLWHTGRVAHPHFFGGGDVLAPSAQKIEGSVPRMR-ELTYVTPKAVTVEDIQGLVRDYAKAAENVIEAGFDGVEIHGANGYLIDQFLHHDSNRRTDEYGGTPVNMSRFALEVVDAIIARIGHDRTGLRISPGAYFNMASDSRDRVVFDYLLPELEKRDLAFVHIGIFD--DSIEFDYLGGTASSYVRAHYGKTLVGVGSYSAETASKAIAEDKFDLIAIGRPFIANPDYVAKVRN-----------------------------

General information: TITO was launched using: RESULT: Template: 5K1M.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 : 1902 -129572 -68.12 -413.97 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -68.12 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.641

(partial model without unconserved sides chains): PDB file : Tito_5K1M.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5K1M-query.scw PDB file : Tito_Scwrl_5K1M.pdb: