Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHTSTTSTVPLEPWIAQQLQQATQGYWHKDQIPQSEIKRILTDSRHAESGDAFLALKGERFDAHNFVAQVAANGCQVAIVERPI-DAEIAQLVVADTRLALGQLGAYRREQNAQLKVIALTGSSGKTTTKEMLGSILSRLA----PTLINRGNLNNDLGVPMMLLELRKEHQYAVMELGANHQGEIDYTSKIVQPHVAGILNIGTAHLGEFGGRDGICRAKSEIYRHILPQGVAIVPQQDDFTAEIREAAKSHQIMSFGAG---GDVFATEIELLPQSA-NFQLHTPQGSSFVRLPFAGEHNVQNATAAVAFALALGVSLEDIVKGLEQAQGAKGRLNFIQKAPHL-FIDDTYNANPTSMRAAAQVLLQQNGIKVMVMGDIGELGDSSWQEHHDLGRDLAGLPLDHIVAVGQFASAALEGAGLHSTKLKAFQTQAEALPFLINLIQTHQPQSMSFLFKGSRFTHMETLMADLMEKL 4CVK Chain:A ((28-450)) ---------------------------------------VSTDSRAIGPGELFIALSGPRFDGHDYLAEVAAKGAVAALVEREVA-APLPQLLVRDTRAALGRLGALNRRKFTG-PLAAMTGSSGKTTVKEMLASILRTQAGDAESVLATRGNLNNDLGVPLTLLQLAPQHRSAVIELGASRIGEIAYTVELTRPHVAIITNA-------FGGPEKIVEAKGEILEGLAADGTAVLNLDDKAFDTWKARASGRPLLTFSLDRPQADFRAADLQRDARGCMGFRLQGVAGEAQVQLNLLGRHNVANALAAAAAAHALGVPLDGIVAGLQALQPVKGRAVAQLTASGLRVIDDSYNANPASMLAAIDILSGFSGRTVLVLGDMG-----AEQAHREVGAYAAG-KVSALYAVGPLMAHAVQAFGATG---RHFADQAS----LIGALATEDPTT-TILIKGSRSAAMDKVVAAL----

General information: TITO was launched using: RESULT: Template: 4CVK.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 : 2276 -8462 -3.72 -21.16 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -3.72 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.507

(partial model without unconserved sides chains): PDB file : Tito_4CVK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CVK-query.scw PDB file : Tito_Scwrl_4CVK.pdb: