Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQNQLNELKRKMLEFFQQKQKNKKSARPGKKGSSTKKSKTLDKSAIFPAILLSIKALFNLLFVLGFLGGMLGAGIALGYGVALFDKVRVPQTEELVNQVKDISSISEITYSDGTVIASIES--DLLRTSISSEQISENLKKAIIATEDEHFKEHKGVVPKAVIRATLGKFVGLGSSSGGSTLTQQLIKQQVVGDAPTLARKAAEIVDALALERAMNKDEILTTYLNVAPFGRNNKGQNIAGARQAAEGIFGVDASQLTVPQAAFLAGLPQSPITYSPYENTGELKSDEDLEIGLRRAKAVLYSMYRTGALSKDEYSQYKDYDLKQDFLPSGTVTGISRDYLYFTTLAEAQERMYDYLAQRDNVSAKELKNEATQKFYRDLAAKEIENGGYKITTTIDQKIHSAMQSAVADYGYLLDD--GTGRVEVGNVLMDNQTGAILGFVGGRNYQENQNNHAFDTKRSPASTTKPLLAYGIAIDQGL-MGSETILSNYPTNFA-----NGNPIMYANSKGT--GMMTLGEALNYSWNIPAYWTYRMLRENGVDVKGYMEKMGYEIP-EYGIESLPMGGGIEVTVAQHTNGYQTLANNGVYHQKHVISKIEAADGRVVYEYQDKPVQVYSKATATIMQGLLREVLSSRVTTTFKSNLTSLNPTLANADWIGKTGTTNQDENMWLMLSTPRLTLGGWIGHDDNHSLSRRAGYSNNSNYMAHLVNAIQQASPSIWGNERFALDPSVVKSEVLKSTGQKPGKVSVEGKEVEVTGSTVTSYWANKSGAPATSYRFAIGGSDADYQNAWSSIVGSLPTPSSSSSSSSSSSDSSNSSTTRPSSSRARR 5HLB Chain:A ((133-720)) -------------------------------------------------------------------------------------------------------RQFGFFRLDPRLITMISSPNGEQRLFVPRSGFPDLLVDTLLATEDRHFYEHDGISLYSIGRAVLANLTAGRTVQGASTLTQQLVKNLFLSSERSYWRKANEAYMALIMDARYSKDRILELYMNEVYLGQS-GDNEIRGFPLASLYYFGRPVEELSLDQQALLVGMVKGASIYNPWR---------NPKLALERRNLVLRLLQQQQIIDQELYDMLSARPLGVQP--R-GGVISPQPAFMQLVRQEL--------QAKL-------------------GDKVKDLSGVKIFTTFDSVAQDAAEKAAVEGIPALKKQRKLSDLETAIVVVDRFSGEVRAMVGGSEPQFAGYNRAMQARRSIGSLAKPA-TYLTALSQPKIYRLNTWIADAPIALRQPNGQVWSPQNDDRR-YSESGRVMLVDALTRSMNVPTVNLGMA-LGLPA-VTETWIKLGVPKDQLHPVPAMLLGAL-NLTPIEVAQAFQTIASGGNRAPLSALRSVIAEDGKVLYQSFPQAERAVPAQAAYLTLWTMQQVVQRGTGRQLG-------AKYPNLHLAGKTGTTNNNVDTWFAGIDGSTVTITWVGRDNNQPTK-LYGASGAMSIYQRYLANQTP--T----PLNLVPPEDIADMGVDYDGNF----VCS--------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5HLB.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 : 3008 52899 17.59 92.00 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 17.59 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.362

(partial model without unconserved sides chains): PDB file : Tito_5HLB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HLB-query.scw PDB file : Tito_Scwrl_5HLB.pdb: