Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNRTLKELILAAEFAAIISVLSQMTIPF----GLVPLTGQTFAIGLTATFLGRKLGLISVGVYLLLGLIGLPVFSGMTGGIAVLFGPTGGYLIGFLLQTWI---TGWMIERTDA--H-YLYAIFANLMGSLAALICGTIWLKISGDLTFTTAFASGLLPFLLPEAIKATGAAYIGILMKKRLNRFLHTN 5KBW Chain:B ((3-173)) --SSIKKISFVGIFSALATLVMFLEFPIFPQASFLKYDPSEIPALIVSFLLGPGVGMFVVLVKDILFFL----MKSG--------DP-VGIAMNAVLGMSFVGIAGLIYHRNKSRATAIKGMIVATLFATAFALGLNALIVPLYFEAPFE-LYLKFFPFILAFNLVKFGIDSVVTFFVYKKVSSILK--

General information: TITO was launched using: RESULT: Template: 5KBW.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 687 -105885 -154.13 -657.67 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -154.13 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.237

(partial model without unconserved sides chains): PDB file : Tito_5KBW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KBW-query.scw PDB file : Tito_Scwrl_5KBW.pdb: