Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKYRTLGQTGEKVSALGLGCMGMSFAYGASDDTQSIATLEKALDLGINFWDTADMYGNGANEVLLSKVLEKHRDKVFLATKFGFRYKEDNLNPKNSLESYIDGSPEWIKVAVENSLRRLNTDVIDLYYAHRIDPNVPVEDTIGAMADLVKQGKVRYLGLSEASAETIRKAHAIHPIAAVQHEYSLLTREFEQTHLQTIRELGISLVPYSPLSRGLITNTLDVNNLDENDFRRQLPRYQGDNWKNNQSLAQAFSEFAQSK--NATAAQLALAWILAQGDDIIPIPGTRKIERLVENAGAVD-LHLTAADLAEIEAIIARYPNMGARYNAQQLAAVNH 1YNP Chain:A ((21-312)) MKKRQLGTSDLHVSELGFGCMSLGT-----DETKARRIMDEVLELGINYLDTADLYNQGLNEQFVGKALKGRRQDIILATKV---------------------SKAYIKEAVKDSLRRLQTDYIDLYQLHGGTIDDPIDETIEAFEELKQEGVIRYYGISSIRPNVIKEYLKRSNIVSIMMQYSILDRRPE-EWFPLIQEHGVSVVVRGPVARGLLSRRPLPEGE--------------GYL---NYRYDELKLLRESLPTDRPLHELALQYCLAHDVVATVAAGASSIDQVKANVQAVEATPLTAEERQHIQKLAKAAVY---------------

General information: TITO was launched using: RESULT: Template: 1YNP.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 : 1466 -157579 -107.49 -575.11 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -107.49 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.568

(partial model without unconserved sides chains): PDB file : Tito_1YNP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YNP-query.scw PDB file : Tito_Scwrl_1YNP.pdb: