Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------MKQVKCECGHINPVGTVLCESCGRALQETQ--------------------PPLADMRYDGSARRSQTYNK---TIIDKIWNFFSSVKVGI---WLIVIT-----LAASAFGTIFPQEAYLPPGAQADTYYKEQYGTFGQLYYLLG---FHHLYG----SWWYLLLIASIGISLVICSLDRVIPLYRALKNQGVRRSPAFLRRQRLFSETVTVLNGESKEKIVTLLKKKHYRIREKEGSILAEKGRFSRWGPY----------------VNHIGLIIFLIGAMLR--------FVPGMYVDETL----WVREGETAAIPGTDGKYYLKN--NQFSVETYNSKTEKKVFADAIDRVGDGRVAKNFQTDAVLYKREGKIVYGEKPKLEKVTEEDIRVNQPLRFDSFSV------YQVDYKENQLDQMVFQLIDKKTKKSFGSLKINLLDPDSVYDLGNGYKVEIASY-LPDFYFNQDGEPSTKTKIPNNPAFVFNIITPDKPKGEKSFVAIQETIEGSGNNKYKLKFDHVETKNI---TGLTVRKDLTLWVLAVGG-----AIFMIGVIQGMYWQHRRIWLHSQDGAVMVAGHTNKNWFGLKKDLAFILADSGLTEPVDQKELIKTQK 4NFU Chain:A ((15-633)) AFEALTGINGDLITRSWSASKQAYLTERYHKEEAGAVVIFAFQPSFSEKDFFDPDNKSSFGEIKLNRVQFPCMRKIGKGDVATVNEAFLKNLEAVIDPRTSFQASVEMAVRSRKQIVFTGHSSGGATAILATVWYLEKYFIR--NPNVYLEPRCVTFG--APLVGDSIFSHALGREKWSRFFVNFVTRFDI-VPRITLARKASVEETLPHVLAQLDPRNSSVQES-EQRITEFYTSVMRDTSTVANQAVCELTGSAEAILETLSSFLELSPYRPAGTFVFSTEKRLVAVNNSDAILQMLFYTCQASDEQEWSLIPFRSIRDHHSYEELVQSMGMKLFNHLDGENSIESSLNDLGVSTRGRQYVQAALEEEKKRVENQKKIIQVIQQERFLKKLAWIEDEYKPKCQA--------HKNGYYDSFKVSNEENDFKANVKRAELAGVFDEVLGLLKK---CQLPDEFEGDIDWIKLATRYRRLVEPLDIANYHRHLKNEDTGPYMKRGRPTRYIYAQRGYEHHILKPNGMIAEDVFWNKVNGLNLGLQLEEIQETLKNSGSECGSCFWAEVEELKGKPYEEVEVRVKTLEGMLREWITAG-EVDEKEIFLEGSTFRKWWITLP--KNHKSHSPL------RDYMMDEI

General information: TITO was launched using: RESULT: Template: 4NFU.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 : 2690 49980 18.58 96.86 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 18.58 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.130

(partial model without unconserved sides chains): PDB file : Tito_4NFU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NFU-query.scw PDB file : Tito_Scwrl_4NFU.pdb: