Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKYRTLGQTGEKVSALGLGCMGMSFAYGASDDTQSIATLEKALDLGINFWDTADMYGNGANEVLLSKVLEKHRDKVFLATKFGFRYKEDNLNPKNSLESYIDGSPEWIKVAVENSLRRLNTDVIDLYYAHRIDPNVPVEDTIGAMADLVKQGKVRYLGLSEASAETIRKAHAIHPIAAVQHEYSLLTREFEQTHLQTIRELGISLVPYSPLSRGLITNTLDVNNLDENDFRRQLPRYQGDNWKNNQSLAQAFSEFAQSKNATAAQLALAWILAQGDDIIPIPGTRKIERLVENAGAVD-LHLTAADLAEIEAIIARYPNMGARYNAQQLAAVNH 1YNQ Chain:A ((21-306)) MKKRQLGTSDLHVSELGFGCMSL-----GTDETKARRIMDEVLELGINYLDTADLYNQGLNEQFVGKALKGRRQDIILATKV----------------WWWDPSKAYIKEAVKDSLRRLQTDYIDLYQLHGGTIDDPIDETIEAFEELKQEGVIRYYGISSIRPNVIKEYLKRSNIVSIMMQYSILDRRPEEW-FPLIQEHGVSVVVRGPVARGLLS-------------RRPLP--EGEGYLNYRYDELKLLRESLPTDRPLHELALQYCLAHDVVATVAAGASSIDQVKANVQAVEATPLTAEERQHIQKL---------------------

General information: TITO was launched using: RESULT: Template: 1YNQ.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 : 1429 -162856 -113.97 -592.20 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -113.97 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.564

(partial model without unconserved sides chains): PDB file : Tito_1YNQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YNQ-query.scw PDB file : Tito_Scwrl_1YNQ.pdb: