Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLCQNCGKNEATIHLYATVNGQRTQLDYCQSCYQKIKNQQNGGLTNMAQNDPFGFGSLDDLFRSMSRQMQQQGNYEQTPPTQFGGNNNFNGGQPPQGNTEGLLGEYGINITEQARQGDIDPVIGRDDEIKRVIEILNRRTKNNPVLIGEPGVGKTAVVEGLAQKIVDGDVPQKLMDKEVIRLDVVSLVQGTGIRGQFEERMQKLIEEIRQAENVILFIDEVHEIVGAGSAGDGNMDAGNILKPALARGELQMVGATTLNEYRI-IEKDAALERRMQPVRVDEPTVEETISILKGLQKRYEDYHHVKYTDEAIEAAATLSNRYVQDRFLPDKAIDLLDETGSKKNLTIQIVD--PKTIEKKLQEAEEQKVLASREEDFEKAAYYRDQINKLQKMKE---RQ---LTEEETPVITEKDMEKIVEQRTGIPVGELKEKEQTQLKNLADDLKAHVIGQDNAVDRVAKAIRRNRVGLNKQNRPIGSFLFVGPTGVGKTELAKQLAYELFGSQDSMIRFDMSEYMEKHSVSKLIGSPPGYVGYEEAGQLTEKVRRNPYSLVLLDEVEKAHPDVLHMFLQILDDGRLTDAQGRTVSFKDTIIIMTSNAGTGKV-EA-NVGFGAAR-----EGVTRSVLNQLNNYFTPEFLNRFDGIIEFSALSKENLMTIVTLMLDDVNQMLAAQQLHIEVPTNVKEKLVDLGYDPSMGARPLRRTIQEQIEDGIAEFYLDHPSIHE--LKAKLDKDGKIIVTSKPERLAKESAEETAE 3J3U Chain:B ((155-804)) ----------------------------------------------------------------------------------------------NSNANTPTLDSLARDLTAIAKEDSLDPVIGRSKEIQRVIEVLSRRTKNNPVLIGEPGVGKTAIAEGLAQQIINNEVPEILRDKRVMTLDMGTVVAGTKYRGEFEDRLKKVMDEIRQAGNIILFIDALHTLIGAGGA-EGAIDASNILKPSLARGELQCIGATTLDEYRKYIEKDAALERRFQPIQVDQPSVDESIQILQGLRDRYEAHHRVSITDDAIEAAVKLSDRYISDRFLPDKAIDLIDEAGSKVRLRSFTTPPNLKELEQKLDEVRKEKDAAVQSQEFEKAASLRDTEQRLREQVEDTKKSWKEKQGQENSEVTVDDIAMVVSSWT-------AQTETDKLLNMENILHSRVIGQDEAVVAVAKAVRRARAGLKDPKRPIGSFIFLGPTGVGKTELARALAESIFGDEESMIRIDMSEYMEKHSTSRLVGSPPGYVGYDEGGQLTEKVRRKPYSVVLLDAIEKAHPDVFNILLQVLEDGRLTDSKGRTVDFRNTILIMTSNVGASELKRNKYVGFNVQDETQNHKDMKDKVMGELKRAFRPEFINRIDEIIVFHSLEKKHLTEIVSLMSDQLTKRLKEQDLSIELTDAAKAKVAEEGVDLEYGARPLRRAIQKHVEDRLSEELLRGNIHKGQHIVLDV-EDGEFVVK----------------

General information: TITO was launched using: RESULT: Template: 3J3U.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 : 3320 66766 20.11 106.82 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : 20.11 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.466

(partial model without unconserved sides chains): PDB file : Tito_3J3U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3J3U-query.scw PDB file : Tito_Scwrl_3J3U.pdb: