Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPCHKEPIKKELVTLNYRNDIRNVAIIAHVDHGKTTLVDELLKQSDTLDAHT-------QLQERAMDSNALEKERGITILAKNTAVDYK-----GIRVNIMDTPGHADFGGEVERIMKMVDGVVLVVDAYEGTMPQTRFVLKKALEQHITPIVVVNKIDKPSARP-----------EHVVDEVLELFIELGADDDQLDFPVIYASALNGTSSLSDD----------------------------------------------------------------P---A----D--------------------------QE-PTMAPIFDTIIEKIPAPVD---------------NSDEPLQFQVSLLDYNDYVGRIGIGRVFRGTIKVGDQVALIKLDGT-------VKKFRVTKLFGFFGLKRLEIQEAKAGDLIAVSGMEDIFV-GETVTPVDHQD------ALPILH-IDEPTLQMTFLVNNSPFAGREGKFVTARKIEERLMAELQTDVSLRVEPTNSPDAWTVSGRGELHLSILIENMRRE--GYELQVSRPEVIEKE--I------------------------------------------------------------------------------------------------------DG---------------------------------------------------------VKCEPFERVQIDTPEEYMGSVIESLSLRKG-EMQDMVHTGN-GQIRLTFLTPARGLIGYSTEFLSMTRGYGIMNHTFDQ--YLPMLPGQIGGRHQGALVSIDTGKATTYSIMSIEERGTVFVEPGTEVYEGMIIGENSRDNDLTVNITKAKQMTNVRSATKDQTSVIKKPKQLTLEESLEFLNDDEYCEVTPESIRLRKQILEKNAREKASKKKK 5GMK Chain:C ((128-943)) ---------------NIPERIINVGVIGPLHSGKTSLMDLLVIDSHKRIPDMSKNVELGWKPLRYLDNLKQEIDRGLSIKLNGSTLLCTDLESKSRMINFLDAPGHVNFMDETAVALAASDLVLIVIDVVEGVTFVVEQLIKQSIKNNVAMCFVINKLDRLILDLKLPPMDAYLKLNHIIANINSFTKGNVFS--PIDNNIIFASTKLGFTFTIKEFVSYYYAHSIPSSKIDDFTTRLWGSVYYHKGNFRTKPFENVEKYPTFVEFILIPLYKIFSYALSMEKDKLKNLLRSNFRVNLSQEALQYDPQPFLKHVLQLIFRQQTGLVDAITRCYQ-PFELFDNKTAHLSIPGKSTPEGTLWAHVLKTVDY-GGAEWSLVRIYSGLLKRGDTVRILDTSQSESREDDETPSCEVEEIGLLGGRYVYPVHEAHKGQIVLIKGISSAYIKSATLYSVKSKEDMKQLKFFKPLDYITEAVF----KIVLQPLLPRE--LP---KLLDALNKISKYYPGVIIKVE-ESGEHVILGNGELYMDCLLYDLRASYAKIEIKISDPLTVFSESCSNSRLGEENLPGLSISVAAEPMDSKMIQDLSRNTLGKGQNCLDIDGIMDNPRKLSKILRTEYGWDSLASRNVWSFYNGNVLINDTLPDEISPELLSKYKEQIIQGFYWAVKEGPLAEEPIYGVQYKLLSISVPSDVNIDVMKSQIIPLMKKACYVGLLTAIPILLEPIYEVDITVHAPLLPIVEELMKKRRGSRIYKTIKVAGTPLLEVRGQVPVIESAGFETDLRLSTNGLGMCQLYFWHKIWRKVPGD-------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5GMK.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 : 2370 -12936 -5.46 -27.70 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain C : 0.62 3D Compatibility (PKB) : -5.46 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.430

(partial model without unconserved sides chains): PDB file : Tito_5GMK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5GMK-query.scw PDB file : Tito_Scwrl_5GMK.pdb: