Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------MKKKETAWMKRKQLLYTEERKWEYGTILIEDGI-CLIE----NGEGDILLADSLQHSPIWIHHKGKWEQAGFQDKLVLACGAEN-ISLSGGERIRYEKSVKRP---LMALLDSLDDETFLAFLQ----HLHSFGLSVFDCVFSYNKGVFSNTSAGQGVSFYHFSNDTAQCAMQHHYNYSSEGTGDRFEWTASNGKRSIMYTAVQRGRK 4PCA Chain:A ((6-226)) HHHMRNVSLSKQDEYLNKLFAVDTEGALKAHKTAPSELRMAQLGTVEGQMLQLLIRMAGIHSIVEVGTCVGFSAICMAHALPSKGHIYTIEKDYENVVTANQNIVNCKLEDKITVLHGEALAQLNTLKEMAPFDMIFIDA-NKSSYLAYLNWAKMYIRKGGLIVADNTFLFGS-VFDEHPTEKVSSNAHASMRAFNDELANKEKYLSTIIPT------SEG----MMVSIKLT--

General information: TITO was launched using: RESULT: Template: 4PCA.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 : 875 -84408 -96.47 -466.34 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -96.47 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.188

(partial model without unconserved sides chains): PDB file : Tito_4PCA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PCA-query.scw PDB file : Tito_Scwrl_4PCA.pdb: