Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRYRTLLFDVDDTILD----FQAAEALALRLLFEDQNIPLTNDMKAQYKTINQGLWRAFEEGKMTRDEVVNTRFSAL--------LKEYGYEADGA--LLEQKYRRFLEEGHQ--LIDGAFDLISNLQQQFDLYIVTNGVSHTQYKRLRDSGLFPFFKDIFVSEDTGFQKPMKEYFNYVFERIPQFSAEHTLIIGDSLTADIKGGQLAGLDTCWMNPDMKPNVPEIIPTYEIRKLEELYHILNIENTVSC 3VAY Chain:A ((3-226)) ----KLVTFDLDDTLWDTAPAIVGAEA-ALRDWLAEQ-APKLGPVPVEH------LWE-IRSRLLDEDPSFKHRISALRRRVLFHALEDAGYDSDEAQQLADESFEVFLHGRHQVQIFPEVQPTLEILAKTFTLGVITNG--NADVRRL---GLADYFAFALCAEDLGIGKPDPAPFLEALRRA-KVDASAAVHVGDHPSDDIAGAQQAGMRAIWYNPQGKAWDADRLPDAEIHNLSQLPEVL--------

General information: TITO was launched using: RESULT: Template: 3VAY.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 : 921 -111368 -120.92 -535.42 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -120.92 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.431

(partial model without unconserved sides chains): PDB file : Tito_3VAY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VAY-query.scw PDB file : Tito_Scwrl_3VAY.pdb: