Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRIARIAVATYMGLAVNMGLAVNAVQAATTFLNVSYDPT----REFYQEYNQAFGKFWKQRTGQDVDFKQSHGGSGKQARAVA---TGLEADVVTLALANDIDEIVKAGFIQP--NW-QKEFP----NNSAPYTSTVVFLVRKGNPK-NIRDWNDLTKPGV--EIITPNPKTGGAPRWIYLSAWGYALKQPGGNDAKAKELVKKLYHNVNVLDLGARGSLTTFAERGIGDVLLSWENEALLATKGLDKDKYEIVYPSI-----S-ILAEPSVAIVDKTVDKDGNRTLAKGYLNFLYSPLGQELAAK-HYFRPRNPQVAA--KYAAQF--P--KIKLF-----TINDVFGGWAKAQKTHFANGAIFDQIYDGKQ 4R6Y Chain:A ((2-317)) ---------------------------MESVVTVYSIDGLHDGDNSWYQVQFDAFTKA----TGITVRYVEG--GGGVVVERLAKERTNPQADVLVTAPP-FIQRAAAEKLLANFNTDTASAIPDANNLYSPLVKNYLSFIYNSKLLKTAPASWQDLLDGKFKNKLQYSTPGQAADGTA-VM---LQAFHSFG-SKDAGFAYLGKLQANNVGPSASTG-KLTALVNKGEIYVANGDLQMNLAQMER-N-PNVKIFWPANDKGERSALAIPYVIGLVQGA----PQSENGKKLINFLLSKEAQTRVSELSWGMPVRSDVTPSDEHYKAATAALEGVQSWQPNWDDVAVSLSADISRWHKVTES------------

General information: TITO was launched using: RESULT: Template: 4R6Y.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 : 1555 47168 30.33 167.86 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 30.33 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.518

(partial model without unconserved sides chains): PDB file : Tito_4R6Y.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R6Y-query.scw PDB file : Tito_Scwrl_4R6Y.pdb: