Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAEIVKVTHLKKSFGRFEALKDVSFTVHSGEVVGFIGPNGSGKSTTIRTLLGIIKKDGGTATIFG----------QDVWEDSLSIHERLSYVPGDISLWGNLTGGAIIDLFMKLHGKGSAQKKDELIQRFSLDPKKKAKNY----SKGNRQKVGLIAALAVDSDLYLFDEPTSGLDPLMETIFQEEVEKLKEQGKSILLSSHILSEVERLADKVVIIREGTLDEEGTLDELRHLTRSTITIETEAENSHLAQLNGVHDFVQKGHLAQFAADNEAFDVILAEASKLGVKKFESIPPTLEDLFMRHYEG 3C4J Chain:B ((22-246)) -LQMIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFP-HMTVLNNITLAPM--KVRKWPREKAEAKAMELLDKVGL--KDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDL----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3C4J.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 : 1079 -18126 -16.80 -85.91 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -16.80 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.442

(partial model without unconserved sides chains): PDB file : Tito_3C4J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3C4J-query.scw PDB file : Tito_Scwrl_3C4J.pdb: