Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKYRTLGQTGEKVSALGLGCMGMSFAYGASDDTQSIATLEKALDLGINFWDTADMYGN-------GANEVLLSKVLEKH--RDKVFLATKFGFRYKEDNLNPKNSLESYIDGSPEWIKVAVENSLRRLNTDVIDLYYAHRIDPNV-----------------PVEDTIGAMADLVKQGKVRYLGLSEASAETIRKAHA------IHPIAAVQHEYSLLTREFEQTHLQTIRELGISLVPYSPLSRGLITNTLDVNNLDENDFRRQLPRYQGDNWKNNQSLAQAFSEFAQSKNATAAQLALAWILAQGDDIIPIPGTRKIERLVENAGAVDLHLTAADLAEIEAIIARYPNMGARYNAQQLAAVNH 1LQA Chain:B ((1-340)) MQYHRIPHSSLEVSTLGLGTMTFGEQ---NSEADAHAQLDYAVAQGINLIDVAEMYPVPPRPETQGLTETYVGNWLAKHGSREKLIIASKVSGPSRNNDKGI----RPDQALDRKNIREALHDSLKRLQTDYLDLYQVHWPQRPTNCFGKLGYSWTDSAPAVSLLDTLDALAEYQRAGKIRYIGVSNETAFGVMRYLHLADKHDLPRIVTIQNPYSLLNRSFEVGLAEVSQYEGVELLAYSCLGFGTLTGKYLNGAKPAGARNTLFSRFTRYSGEQTQKAVAAYVDIARRHGLDPAQMALAFVRRQPFVASTLLGATTMDQLKTNIESLHLELSEDVLAEIEAVHQV------------------

General information: TITO was launched using: RESULT: Template: 1LQA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1666 21970 13.19 71.33 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : 13.19 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.592

(partial model without unconserved sides chains): PDB file : Tito_1LQA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1LQA-query.scw PDB file : Tito_Scwrl_1LQA.pdb: