Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKNEILWGIAPIGWRNDDMPEIGAGNTLQHLL-----SDIVVARFQGTEVGGFFPEPAILNKELKLRNLRIAGKWFSSFIL--RDGLGEAAKTFTLHCEYLQQVNADVAVVSEQTYSVQSLEKNVFTEKPHFTDDEWERLCEGLNHLGEIAAQHGLKLVYHHHLGTGVQTAEEVDRLMAGTDPAHVHLLYDTGHAYISDGDYMGMLEKHIGRIKHVHFKDARLNVMEQCRLEGQSFRQSFLKGMFTVPGDGCIDFREVYQLLLKHSYSGWIVIEAEQDPDVANPLEYALIARNYIDQQLLDLA- 3CQJ Chain:A ((16-291)) QIPLGIYEKALPAGECWLERLQLAKTLGFDFVEMSVDETDERLSRLDWSREQRLALVNAIVETGVRVPSMCLSAHRRFPLGSEDDAVRAQGLEIMRKAIQFAQDVGIRVIQLA--GYDVYYQEAN---------NETRRRFRDGLKESVEMASRAQVTLAMEIMDYPLMNSISKALGYAHYLNNPWFQLYPDIGNLSAWDNDVQMELQAGIGHIVAVHVKDTKPGVFKNVP-----------------FGEGVVDFERCFETLKQSGYCGPYLIEMWSETA-EDPAAEVAKARDWVKARMAKAGM

General information: TITO was launched using: RESULT: Template: 3CQJ.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 : 1441 -9350 -6.49 -34.89 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -6.49 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.427

(partial model without unconserved sides chains): PDB file : Tito_3CQJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CQJ-query.scw PDB file : Tito_Scwrl_3CQJ.pdb: