Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MDVRNKTLWIL----RDYVYILIGAAITAVSFNVFLLPNKIAAGGVSGISTILQSYGF-EAAYVQWIINIPLFIAGVILLG----------GKFGLKTLAGSVFLPLVVFLT-RDIQPATHHELLAAIFGGVGIGIGIG-----------IVYLGKGSTGGTALAAQIIHKYSGLSLGKCLAIIDGMIV-----------VTAMIVFNIEQGLYAMLGVYVSSKTIDVVQVGF-----NRSKMALIITKQEQAVKEAVLQKIDRGVTKISAVGGYTDDDRPILMCVVGQTEFTKLKQIVKQIDESAFVIVADASEVLGEGFKRA--- 1JQJ Chain:C ((1-333)) MIRLYPEQLRAQLNEGLRAAYLLLGNDPLLLQESQDAVRQVAAAQGFEEHHTFSIDPNTDWNAIFSLCQAMSLFASRQTLLLLLPENGPNAAINEQLLTLTGLLHDDLLLIVRGNKLSKAQENAAWFTALANRSVQVTCQTPEQAQLPRWVAARAKQLNLELDDAANQVLCYCYEGNLLALAQALERLSLLWPDGKLTLPRVEQAVNDAAHFTPFHWVDALLMGKSKRALHILQQLRLEGSEPVILLRTLQRELLLLVNLKRQSAHTPLRALFDKHRVWRRGMMGEALNRLSQTQLRQAVQLLTRTELTLKQDYGQAELEGLSLLLCH

General information: TITO was launched using: RESULT: Template: 1JQJ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1176 -64234 -54.62 -228.59 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain C : 0.63 3D Compatibility (PKB) : -54.62 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.215

(partial model without unconserved sides chains): PDB file : Tito_1JQJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1JQJ-query.scw PDB file : Tito_Scwrl_1JQJ.pdb: