Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MQGVIAMMSKNNTNGRNQFAMLTIDDLVPQDHLVRKIDAALDFEFIYPI-VEATYSDLGRPSIDP-VIL----IKLVFIQYLFGIRSMRQTIKEVDTNVAYR-------------WFLGYSFEEKIPHFSTFGKNYVRRFRETTVFEDIFAYILEQAVKAG-------FVTEDNLYLDSTHIKANANKHKFTK-EMTHDEAKAYQDELEDEINRQRIEAGKRPFTLDLEKEVKLKERKISKADPE-SGYYVKGEREKQF-AYSAHTS----------------------CDDNGFI-LST-------IITPGNIYDSQVAFQLVKQSKRLFPEINCVVADAG--YKTPKFVHFLTHLNLRPCLPYSRPKGKKGLLSKNEFL------------------------YDEYFDCYIC----PQDQMLAFSTVTREGYREYKSNPKECVNCP--LLNQCTISKNHQRVITRHVWGDLMDEVEHLRLT---DLNKSIYKKRKQTIERIFADAKEKHGMRWTKYRGL--EKVATHTMLVFAAMNLKKLATWLWKGKEPLFFC-----SKIRNEVDKKLFQARVTSLEQL----LSTV--- 5CD6 Chain:A ((2-580)) QTTGVVCEEFDQIQLTHV---------LTPTGPLP----TALDPNGVYPYMSYSETSNRPVPKRYRMISLENEKVKAIICPDLCG-KVISLTHKESGKEVLYRPDVIKYTRILPRFYFVAGGIEVSFPISHSPTQNEPVLYQIDHTGDRTYVTCGERESHYGMQWSVEYSLGDKDECLTQRVVYYNPGKQAYPWMSWSNAALPCAPDTQYDFPNGTVLSHASTLDTIDWKTEGTHHERDI----KEMTGYFWKTKDVNAFGAYTPSLGSGLYHIADESSTPGIKLWSYGVAGDKEWSMLSTPDRQPYVEIQGGPISDQSIKLELRPGEKKNHVEYWIPTDHPLDIYSLKVPALRLRPIDRIPLFDWARKNESSIWIALADAYKNKSTLPAAPYPEDGQWAPSGMEDLDDAFRWAIQISPRPERDYWQFHYGTWLAGRERVEEAIEQLSIPDIDLAKALLARLYVR---RQAWEKARDTYAAIPETSWLNLHPQLVIERDKVLKKFGTEALPEREKWLDKINASSDEWVVERKVQLLIDKKQYQEAKDLLLSTHFQKVHQTYTRTGLWEQINEGLGLSPQPVPEQLGEDRLARFEYE

General information: TITO was launched using: RESULT: Template: 5CD6.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 : 2773 123732 44.62 265.52 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 44.62 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.108

(partial model without unconserved sides chains): PDB file : Tito_5CD6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5CD6-query.scw PDB file : Tito_Scwrl_5CD6.pdb: