Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRIIP----VYIFQQVN----VLLVSL--YLLKFLCI-GELT-----------ILQILYG------SSLISFLWMYGQRKQAHKVNMKSRMKWLGVEFVSLLIISLCFSLIHAQGSTNQANLIGLQHQIPWFSFLLFLIN-----ASMVEEFLYREILCNLVRKLDIRVALTSVLFALAHHTG------------------TILAWCLYVSLGMFL---GMVRY---------KSDLWGSMGLHLVWNLLVYSLLLF-- 4XLG Chain:A ((3-300)) EFQQIPDFYGCYLLQSISKRQSFYIGSTPNPVRRLRQHNGSLSRTKRDGTRPWEMVAIVYGFPSRIAALQFQHAWQHGTRYISIHHKLAMITSLLKNEYFRYMDLTLHFFNQKVEEIWKNDKFNVSNYTVSLSQDALTEINNDTIDDIMDVNEKNMELVQNLYSTTLAEKTKTLLLYKEKIDTGINTCQFCNKIIKHNNISENLFAFCRDTSCTFVSHLACAYRYFMSEDTIIPQSPKCPKCYTLLKWCDVIYYSIKLNK

General information: TITO was launched using: RESULT: Template: 4XLG.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 : 820 -63642 -77.61 -326.37 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -77.61 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.159

(partial model without unconserved sides chains): PDB file : Tito_4XLG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XLG-query.scw PDB file : Tito_Scwrl_4XLG.pdb: