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 4U95 Chain:C ((3-1012)) ----NFFIDRPIFAWVIAIIIMLAGGLAILKLPVAQYPTIAPPAVTISASYPGADAKTVQDTVTQVIEQNMNGIDNLMYMSSNSDSTGTVQITLTFESGTDADIAQVQVQNKLQLAMPLLPQEVQQQGVSVEKSSSSFLMVVGVINTDGTMTQEDISDYVAANMKDAISRTSGVGDVQLFGS-QYAMRIWMNPNELNKFQLTPVDVITAIKAQNAQVAAGQLGGTPPVKGQQLNASIIAQTRLTSTEEFGKILLKVNQDGSRVLLRDVAKIELGGENYDIIAEFNGQPASGLGIKLATGANALDTAAAIRAELAKMEPFFPSGLKIVYPYDTTPFVKISIHEVVKTLVEAIILVFLVMYLFLQNFRATLIPTIAVPVVLLGTFAVLAAFGFSINTLTMFGMVLAIGLLVDDAIVVVENVERVMAEEGLPPKEATRKSMGQIQGALVGIAMVLSAVFVPMAFFGGSTGAIYRQFSITIVSAMALSVLVALILTPALCATMLK-PIAKGD-----HGEGKKGFFGWFNRMFEKSTHHYTDSVGGILRSTGRYLVLY---LIIVVGMAYLFVRLPSSFLPDEDQGVFMTMVQLPAGATQERTQKVLNEVTHYYLTKEKNNVESVFAVNGFGFAG--RGQNTGIAFVSLKDWADRPGEENKVEAITMRATRAFSQIKDAMVFAFNLPAIVELGTATGFDFELIDQAGLGHEKLTQARNQLLAEAAKHPD---MLTSVRPNGLEDTPQFKIDIDQEKAQALGVSINDINTTLGAAWGGSYVNDFIDRGRVKKVYVMSEAKYRMLPDDIGDWYVRAADGQMVPFSAFSSSRWEYGSPRLERYNGLPSMEILGQAAPGKSTGEAMELMEQLASK-LPTGVGYDWTGMSYQERLSGNQAPSLYAISLIVVFLCLAALYESWSIPFSVMLVVPLGVIGALLAATFRGLTNDVYFQVGLLTTIGLSAANAILIVEFAKDLMDKEGKGLIEATLDAVRMRLRPILMTSLAFILGVMPLVISTGAGSGAQNAVGTGVMGGMV------------------------------------------

General information: TITO was launched using: RESULT: Template: 4U95.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 : 5547 -281063 -50.67 -281.91 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain C : 0.82 3D Compatibility (PKB) : -50.67 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.502

(partial model without unconserved sides chains): PDB file : Tito_4U95.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U95-query.scw PDB file : Tito_Scwrl_4U95.pdb: