Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------MAELENRKQFAQM-----LAPGVKTLKLHPDYKVRRK--KNEKTGQSYIDKIALQLGVS-PNTIKSWIGQMGANYIPGRIDDGKLFGMIWII----------------------LEKTDLDIEWLTDLLEATTIPVIKPA----------LPV-------------WAA-----SCLKKAKILRKDGLFGAPSEGEIENVVKRLFHDRPGQETNALTEQPITHNLPSRWSGRFIGRSFDMEAIRQWMLSPSPVCLITGWAGMGKTTIALE---AAYSCVDDTS------VWPAFNSIIWVSADWKGLSFSDFLNTIAYQLGRKEQIDKSINVKRFVVRNALANYTREKPI---LLIVDSIDTAERDIHEFITSLPQGVK------VLLTARENVKQTYRESFGEMTAIQLSGLDQTDAHEFFQQEVHHCLQTCNLP------RKREKLEQLLHLSSDLKNEF-ISATAGN----PKAMALSIAYMSDDDIPAQ---QLIHELGKAGYS------------LLELFEFL-----FGRT----WDRCN-----EDTRKLWQ------TLCFFSKPPDEKSL--------------------------------AAAAGLDARR---------FHYAMEQMRSYALIQPERSQGRTQYLAHQTVVAYGEQHLSEQHEYEKEARNRWAHYYIDYAETHLKR----EQPNSIYWSYLLGRNLDQMKQEWPNILKVIQWASETEQKEILIELITRISHFLSRINLPL---RIEYGRKAAD-------------AAHHLGQHTREAYFRIDTSGWALMEVNDLDGALQQIEAGLKILEQSDAHDAY------DLKVWGHALKARLFLKDGQQEKAETILNEIENQPISPTIQHRVLLVRGDLSFARGYHVEAIQLYEAANEISSTYGGEKTIEAYFNLGVAYVKCDQFEKAEEAFEQ----MLYDKHNANQVELIYYHYGMAQLLYRKGEKTKAVESNQKAIRLIDSWEPAIGIRGEVERLARATKENE---- 5AOR Chain:A ((119-1158)) LGEAYRPLEQRDMNEAEAFDVNAAIHGNWTIENAKERLNIYKQTNNIRDDYKYTPVGPEHARSFLAELSIYVPALNRTVTARESGSNKKSASKSCALSLVRQLFHLNVIEPFSGTLKKDEQLKPYPVKLSPNLINKIDEVIKGLDLPVVNPRNIKIELDGPPIPLIVNLSRIESSVIPWAPPQANWNTWHACNI--DEGELATTSIDDLSMDYERSLRDRRQNDNEYRQFLEFREKLPIAAMRSEILTAINDN----------PVVIIRGNTGCGKTTQIAQYILDDYICSGQGGYANIYVTQPRRISAISVAERVARERCEQLGDTVGYSVRFESVFPRPYGAILFCTVGVLLRKLEAGLRGVSHIIVDEIHERDVNSDFLLVILRDMVDTYPDLHVILMSATIDTTKFSKYFGICPVLEVPG----RAFPVQQFFLEDIIQMTDFVPSAESRRKRKEVEDEEQLLSEDKDEAEINYNKVCEDKYSQKTRNAMAMLSESDVSFELLEALLMHIKSKNIPGAILVFLPGWNLIFALMKFLQNTNIFGDTSQYQILPCHSQIPRDEQRKVFEPVPEGVTKIILSTNIAETSITIDDIVFVIDICKARMKLFTSHNNLTSYATVWASKTNLEQRKGRAGRVRPGFCFTLCSRARFQALEDNLTPEMFRTPLHEMALTIKLLRLGSIHHFLSKALEPPPVDAVIEAEVLLREMRCLDANDELT---PLGRLLARLPIE-PRLGKMMVLGAVFGCADLMAIMASYSSTFSEVFSLDIGQRRLANHQKALSGTKCSDHVAMIVASQMWRREKQRGEHMEARFCDWKGLQMSTMNVIWDAKQQLLDLLQQAGFPEECMISHEVDERIDGDDPVLDVSLALLCLGLYPNICVHKEKRKVLTTESKAALLHKTSVNCSNLAVTFPYPFFVFGEKIRTRAVSCKQLSMVSPLQVILFGSRKIDLAANNIVRVDNWLNFDIEPELAAKIGALKPALEDLITVACDNPSDILRLE---------EPYAQLVKVVKDLCVKSAGDFGLQR

General information: TITO was launched using: RESULT: Template: 5AOR.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 : 3789 -259526 -68.49 -324.41 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -68.49 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.165

(partial model without unconserved sides chains): PDB file : Tito_5AOR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AOR-query.scw PDB file : Tito_Scwrl_5AOR.pdb: