Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLCQNCGKNEATIHLYATVNGQRTQLDYCQSCYQKIKNQQNGGLTNMAQNDPFGFGSLDDLFRSMSRQMQQQGNYEQTPPTQFGGNNNFNGGQPPQGNTEGLLGEYGINITEQARQGDIDPVIGRDDEIKRVIEILNRRTKNNPVLIGEPGVGKTAVVEGLAQKIVDGDVPQKLMDKEVIRLDVVSLVQGTGIRGQFEERMQKLIEEIRQA-ENVILFIDEVHEIVGAGSAGDGNMDAGNILKPALARGELQMVGATTLNEYRI-IEKDAALERRMQPVRVDEPTVEETISILKGLQKRYEDYHHVKYTDEAIEAAATLSNRYVQDRFLPDKAIDLLDETGSKKNLTIQIVDP--KTIEKKLQEAEEQK----------------------VLASRE-EDFEKAAY--------YR---DQINKLQKMKER---------------------------------------------QLTEEETPVITEKDMEKIVEQRTGIPVGELKEKEQTQLKNLADDLKAHVIGQDNAVDRVAKAIRRNRVGLNKQNRPIGSFLFVGPTGVGKTELAKQLAYELFGSQDSMIRFDMSEYMEKHSVSKLIGSPPGYVGYEEAGQLTEKVRRNPYSLVLLDEVEKAHPDVLHMFLQILDDGRLTDAQGRTVSFKDTIIIMTSNAGTGKVEANVGFGAAR-EGVTRSVLNQLNNYFTPEFLNRFDGIIEFSALSKENLMTIVTLMLDDVNQMLAA--QQLHIEVPTNVKEKLVDLGYDPSMGARPLRRTIQEQIEDGIAEFYLDHPSIHE--LKAKLDKDGKIIVTSKPERLAKESAEETAE 5D4W Chain:A ((173-883)) -------------------------------------------------------------------------------------------------QENENLSKFCIDMTAMAREGKIDPVIGREEEIRRVIRILSRRTKNNPVLIGEPGVGKTTIVEGLAQRIVNADVPDNLAACKLLSLDVGALVAGSKYRGEFEERMKGVLKEIQESKETIILFVDAIHLLMGA-------MDAANLLKPMLARGQLHCIGATTLAEYRKYIEKDAAFERRFQQVLVKEPSISETISILRGLKEKYEVHHGVNIADAAIVAAANLAARYLTSRRLPDSAVDLIDEAAAAVRVARESQPEIIDSLERRLRQLKIEIHALSREKDEASKARLAQAKQDAQNVEEELRPLREKYERERQRGKAIQEAKMKLEALRVKAEDASRMGDHSRAADLQYYAIPEQEAIIKRLEAEKAAADAALNANGADVGGSMITDVVGPDQINEIVARWTGIPVTRLKTSEK----HMEQALSKIVVGQKEAVQSVSNAIRLQRSGLSNPNQP-PSFLFCGPSGTGKTLLTKALAEFLFDDPKSMIRFDMSEYQERHSLSRMIGAPPGYVGHDAGGQLTEALRRRPFSILLFDAVEKAAKEVLTVLLQLMDD---TDGQGRVVDAKNCIVVMTSN----------------DPTTRELVMNTLRNYFLPEFLNRISSVVIFNRLTRREIRKIVDLRIAEIQKRLTDNDRNVIIKVSEEAKDKLGAQGYSPVYGARPLQRLLEKEVLNRLAILILRGQIREGEVAHVELV------------------------

General information: TITO was launched using: RESULT: Template: 5D4W.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 : 2573 2273 0.88 3.85 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : 0.88 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.291

(partial model without unconserved sides chains): PDB file : Tito_5D4W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5D4W-query.scw PDB file : Tito_Scwrl_5D4W.pdb: