Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNENMSFKELYAIVRHRFVLILLITIGVTLIMGFVQFKVISPTYQASTQVLVHESDGEENSNLSDIQRNLQYSSTFQSIMKSTALMEEVKAELHLSESASSLKGKVVTSSENESEIINVAVQDHDPAKAAEIANTLVNKFEKEVDERMNVQGVHILSEAKASESPMIKPARLRNMVMAFGAAVMGGITLAFFLHFLDDTCKSARQLSERTGLPCLGSVPDVHKGRNRGIKHFGE 4WCK Chain:A ((91-189)) --------------------------------------------------------GDMNRKFAALDKKDPEYPTIQEI-KSLIAKPNIDAVLHLHDGGGYYRPVYVDAMLNPKRWGNCFIIDQDEVKGAKFPNLLA--FANNTIESINAHLLHPIEE----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4WCK.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 : 204 -6032 -29.57 -60.92 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -29.57 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.176

(partial model without unconserved sides chains): PDB file : Tito_4WCK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WCK-query.scw PDB file : Tito_Scwrl_4WCK.pdb: