Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKYRTLGQTGEKVSALGLGCMGMSFAYGASDDTQSIATLEKALDLGINFWDTADMYGNGANEVLLSKVLEKH---RDKVFLATKFGFRYKEDNLNPKNSLESYIDGSPEWIKVAVENSLRRLNTDVIDLYYAHRIDPNVPVEDTIGAMADLVKQGKVRYLGLSEASAETIRKAHA------IHPIAAVQHEYSLLTREFEQ-THLQTIRELGISLVPYSPLSRGLITNTLDVNNLDENDF-RRQL----PRYQGDNWKNNQSLAQAFSEFAQSKNATAAQLALAWILAQGDDIIPIPGTRKIERLVENAGAVDL--HLTAADLAEIEAIIARYPNMGARYNAQQLAAVNH 1QRQ Chain:C ((2-323)) QFYRNLGKSGLRVSCLGLGTWVTFG--GQITDEMAEHLMTLAYDNGINLFDTAEVYAAGKAEVVLGNIIKKKGWRRSSLVITTKIFWGGKAET---------ERGLSRKHIIEGLKASLERLQLEYVDVVFANRPDPNTPMEETVRAMTHVINQGMAMYWGTSRWSSMEIMEAYSVARQFNLIPPICEQAEYHMFQREKVEVQLPELFHKIGVGAMTWSPLACGIVSGKYDSGIPPYSRASLKGYQWLKDKILSEEGRRQQAKLKELQAIAERLGCTLPQLAIAWCLRNEGVSSVLLGASNAEQLMENIGAIQVLPKLSSSIVHEIDSILGNK-----------------

General information: TITO was launched using: RESULT: Template: 1QRQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1769 -18171 -10.27 -59.58 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain C : 0.75 3D Compatibility (PKB) : -10.27 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.562

(partial model without unconserved sides chains): PDB file : Tito_1QRQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1QRQ-query.scw PDB file : Tito_Scwrl_1QRQ.pdb: