Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKNEILWGIAPIGWRNDDMPEIGAGNTLQHLLSDIVVARFQGTEVGGFFP---EPAILNKELKLRNLRIA-GKWFS--SFILRDG---LGEAAKTFTLHCEYLQQVNADVAV--VSEQTYSVQSLEKNVFTEKPHFTDDEWERLCEGLNHLGEIAAQHGLKLVYHHHLG---TGVQTAEEVDRLMAGTDPAHVHLLYDTGHAYISDGDYMGMLEKHIGRIKHVHFKDARLNVMEQCRLEGQSFRQSFLKGMFTVPGDGCIDFREVYQLLLKHSYSGWIVIEAEQDPDVANPLEYALIARNYIDQQLLDLA 3VYL Chain:A ((1-246)) ----MARIGIHSFVWSASS-----AQSELERTLANTRDAGFDLIEFSYLDPADVDIGRLAKRIADLGLGVAISIGLPADGDISSADKAVAARGVEILNQTIALTRDLGGRKVAGILSAGH---G-------LQVEAPTRDQWNRSAAALAKVAETAKAAGVTLNLEIVNRFESNLLNTAAQGLAFIEDTGSDNIFLHLDTFHMNIEEADVGLAIRHAAGKIGYVHIGESHR----------------------GFLGTGNIDFAAIFDALTAIGYADDLSFESFSSE------------------------

General information: TITO was launched using: RESULT: Template: 3VYL.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 : 1168 3436 2.94 14.81 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 2.94 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.475

(partial model without unconserved sides chains): PDB file : Tito_3VYL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VYL-query.scw PDB file : Tito_Scwrl_3VYL.pdb: