Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNISKFFIDRPIFAGVLSVLILLAGLLSVFQLPISEYPEVVPPSVVVRAQYPGANPKVIAETVASPLEESINGVEDMLYMQSQANSDGNLTITVNFKLGIDPDKAQQLVQNRVYQAMPRLPEDVQRLGVTTLKSSPTLTMVVHLTSPDNRYDMTYLRNYAVLNVKDRLARLQGVGEVGLFGSGDYAMRVWLDPQKVAQRNLTATEIVNAIREQNIQVAAGTIGASPSNSPLQL--SVNAQGRLTTEQEFADIILKTAPDGAVTRLGDVARVELAASQYGLRSLLDNKQAVAIPIFQAPGANALQVSDQVRSTMKELSKDFPSSIKYDIVYDPTQFVRASIKAVVHTLLEAIALVVVVVILFLQTWRASIIPLLAVPVSIIGTFALMLAFGYSINALSLFGMVLAIGIVVDDAIVVVENVERNI-EAGLNPREATYGAMREVSGPIIAIALTLVAVFVPLAFMTGLTGQFYKQFAMTIAISTVISAFNSLTLSPALAALLLKGHDAKPDALTRIMNRVFGRFFALFNRVFSRASDRYSQGVSRVISHKASAMGVYAALLGLTVGISYI---VPGGFVPAQDKQYLISFAQLPNGASLDRTEAVIRKMSDTAL--KQPGVESAVAFPGLSINGFTNSSSAGIVFVTLKPFDERKAKDLSANAIAGALNQKYSAIQDAYIAVFPPPPVMGLGTMGGFKLQLEDRGALGYSALNDAAQNFMKAAQSAPELGPMFSSYQIN----VPQLNVDLDRVKAKQQGVAVTDVFNTMQIYLGSQYVNDFNRFGRVYQVRAQADAPFRANPEDILQLKTRNSAGQMVPLSSLVNVTQTYGPEMVVRYNGYTSADINGGPAPGYSSSQAEAAVERIAAQTLPRGIKFEWTDLTYQKILAGNAGLWVFPISVLLVFLVLAAQYESLTLPLAVILIVPMGILAALTGVWLTAGDNNIFTQIGLMVLVGLACKNAILIVEFAQEL-EMQGATAFRAAVEASRLRLRPILMTSIAFIMGVVPLVTSTGAGSEMRHAMGVAVFFGMIGVSFFGLFLTPAFYVLIRTLNSKHKLHSAAVHEAPLASPHDH 5NC5 Chain:B ((3-1012)) ----NFFIDRPIFAWVIAIIIMLAGGLAILKLPVAQYPTIAPPAVTISASYPGADAKTVQDTVTQVIEQNMNGIDNLMYMSSNSDSTGTVQITLTFESGTDADIAQVQVQNKLQLAMPLLPQEVQQQGVSVEKSSSSFLMVVGVINTDGTMTQEDISDYVAANMKDAISRTSGVGDVQLFGS-QYAMRIWMNPNELNKFQLTPVDVITAIKAQNAQVAAGQLGGTPPVKGQQLNASIIAQTRLTSTEEFGKILLKVNQDGSRVLLRDVAKIELGGENYDIIAEFNGQPASGLGIKLATGANALDTAAAIRAELAKMEPFFPSGLKIVYPYDTTPFVKISIHEVVKTLVEAIILVFLVMYLFLQNFRATLIPTIAVPVVLLGTFAVLAAFGFSINTLTMFGMVLAIGLLVDDAIVVVENVERVMAEEGLPPKEATRKSMGQIQGALVGIAMVLSAVFVPMAFFGGSTGAIYRQFSITIVSAMALSVLVALILTPALCATMLK-PIAKGD-----HGEGKKGFFGWFNRMFEKSTHHYTDSVGGILRSTGRYLVLY---LIIVVGMAYLFVRLPSSFLPDEDQGVFMTMVQLPAGATQERTQKVLNEVTHYYLTKEKNNVESVFAVNGFGFAG--RGQNTGIAFVSLKDWADRPGEENKVEAITMRATRAFSQIKDAMVFAFNLPAIVELGTATGFDFELIDQAGLGHEKLTQARNQLLAEAAKHPD---MLTSVRPNGLEDTPQFKIDIDQEKAQALGVSINDINTTLGAAWGGSYVNDFIDRGRVKKVYVMSEAKYRMLPDDIGDWYVRAADGQMVPFSAFSSSRWEYGSPRLERYNGLPSMEILGQAAPGKSTGEAMELMEQLASK-LPTGVGYDWTGMSYQERLSGNQAPSLYAISLIVVFLCLAALYESWSIPFSVMLVVPLGVIGALLAATFRGLTNDVYFQVGLLTTIGLSAKNAILIVEFAKDLMDKEGKGLIEATLDAVRMRLRPILMTSLAFILGVMPLVISTGAGSGAQNAVGTGVMGGMV------------------------------------------

General information: TITO was launched using: RESULT: Template: 5NC5.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 5153 -261164 -50.68 -261.95 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -50.68 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_5NC5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5NC5-query.scw PDB file : Tito_Scwrl_5NC5.pdb: