Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNTLTVKDIKDRLQEVKDAQDPFIAQCENDPRKSVQTLVEQWLKKQAKEKALKEQWVNMTSYERLARNKGFRLIAGVDEVGRGPLAGPVVASAVILPEECEI----LGLTDSKKLSEKKREEYYELIMKEALAVGIGIVEATVIDEI--------NIYEASKMAMVKAIQDLSD--TPDYLLVDAMTLPLDTAQASIIKGDAKSV--------SIAAGACIAKVTRDRMMSAYAETYPMYGFEKNKGYGTKEHLEALAAYGPTELHRKTFAPVQSFR 4PY5 Chain:A ((77-261)) ---------------------------------------------------------------------------GCNEAGKGEFVGPLVVACIVADEKCLKRLIELGVKDSKKLSNEKVEE----LASEITETCHGKVKLLIPEKYNRAYSKFKNINRLLEAVYREIVSDLCEKFSPKVVVVDKFSNRAEEVLKDVVKGARLEVRPKAEDDLAVAAASIVAKAVRLKTMKELEKRFKVKLPEGNTG------LAELLKKTPKELHEKLF-------

General information: TITO was launched using: RESULT: Template: 4PY5.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 : 794 -87099 -109.70 -534.35 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -109.70 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.388

(partial model without unconserved sides chains): PDB file : Tito_4PY5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PY5-query.scw PDB file : Tito_Scwrl_4PY5.pdb: