Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPLHKTRINADPQRSPPPAPANHIRSPVGSASSQSLAISPLSTKPVDIPSPERKPNSGVVTGVSISDGGAIWDRRAQCRAPTPPPSSITVERREEAGYGAMVAKGGKASSSLSKATAGRVGSQEDDVEGGDETSSEDEEDEEEDSDEEDDEGEEGGYYDGATSDQEEDDDVDTGDSTSDDEEDEDDASTSASSSSSGSSTAPVEIGSRRTRRKMQSGKKSTQRSLKAAKNTAVPSSASSGAQWCGGPGPAAQPIRTKVSREGDVNVKVIFAARSRHCFRRYVKEVMTRFGFRKATDFDMYCIDQYGDRVDIDTEEDFEQLLDAFTEAMGVVGKDSLVGSPDTHASPPPPSLEPLHHLYGANQSTGSCGMPAVGDGSSMSRHARERAMSFSASQNHTSSFYAAKSFSLSPRLDATIASSISAGSLVEDDGKSSGSVLRLYVRYSNAYYTEHRREFEQQMNHSLLYPQSMLSNGGSGAHPPPPPPQQQQLSLGSPSSKWRLQTDQLPSGHVSPGAVGSPLARNLLAFTTCSVGSGGGDGGAISSHDELNAVHGKSSDWAAASADSMSMQFNETLNSNLAKTLRLDEAEP--LDWRRMSVLGKGSFGTVYEGITQD-GKMLAVKVQELSLDDGEDAEAVKAVKAEINLMRSLKHKNIVT-YYGCQTRVLPTGNQQMEVFLELCHGGSLASLRRKFVKAKEPFSISLVRSYTRQVLEGLAYLHAQNVVHRDIKSDNVLISAMGEAKLADFGCSKRLGPATLQGMPGTLPPGAAPAAAAPSPQEAAVARAAMHQTVVGSPFFMAPEVLRED----GSYTGAADIWSVGCLVLELL-GREPWDITGKNIFQIMFRISKEKGMPTGVPKKCPAILLDFFERCFQRDTKR--RATAVELLEHEWLTCPD-KALEEVPPSPLSQKESPAE-------------------------------- 4AW2 Chain:A ((1-416)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SGEVRLRQLEQFILDGPAQTNGQCFSVETLLDILICLYDECNNSPLRREKNILEYLEWAKPFTSKVKQMRLHREDFEILKVIGRGAFGEVAVVKLKNADKVFAMKI--LNKWEMLKRAETACFREERDVLVNGDSKWITTLHYAFQD------DNNLYLVMDYYVGGDLLTLLSKF---EDRLPEEMARFYLAEMVIAIDSVHQLHYVHRDIKPDNILMDMNGHIRLADFGSCLKLME------DGTVQSSVA----------------------VGTPDYISPEILQAMEGGKGRYGPECDWWSLGVCMYEMLYGETPFYAESLVETYGKIMNHKERFQFPTQVTDVSENAKDLIRRLICSREHRLGQNGIEDFKKHPFFSGIDWDNIRNCEAPYIPEVSSPTDTSNFDVDSGHHLPFVGFTYTSSCVLSDRSCLR

General information: TITO was launched using: RESULT: Template: 4AW2.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 : 1592 17195 10.80 48.57 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 10.80 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.441

(partial model without unconserved sides chains): PDB file : Tito_4AW2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AW2-query.scw PDB file : Tito_Scwrl_4AW2.pdb: