Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDRYEQINDYIEALLKPRPDNVKRLEAYAEEHHVPIMEKAGMEVLLQILSVKQPKKILEIGTAIGYSAIRMALELPS-AEIYTIERNEKRHEEAVNNIKEFQLDDRIHVFYGDALELADAVHVTAPYDVIFIDAAKGQYQNFFHLYEPMLSPDGVIITDNVLFKGLVAEDYSKIEPKRRRRLVAKIDEYNHWLMNHPDYQTAIIPVGDGLAISKKKR 4PCL Chain:B ((67-224)) --------------------------------------------------------SIVEVGTCVGFSAICMAHALPSKGHIYTIEKDYENVVTANQNIVNCKLEDKITVLHGEALAQLNTLKEMAPFDMIFIDANKSSYLAYLNWAKMYIRKGGLIVADNTFLFGSVFDEHPT--EKVSSNAHASMRAFNDELANKEKYLSTIIPTSEGMMVSIK--

General information: TITO was launched using: RESULT: Template: 4PCL.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 : 761 -31504 -41.40 -200.66 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -41.40 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.486

(partial model without unconserved sides chains): PDB file : Tito_4PCL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PCL-query.scw PDB file : Tito_Scwrl_4PCL.pdb: