Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLLKVRQNVPQVQSIKTSLKKRAGQKIPHMLSNASDLFFRGSEIALSGKTPFDVIYKHEIISLRHYRIETEASAHKHRVPLVIVPPLAVNMLIYDLFPTRSLIRYFLDQGFEVYLIDWGVPTRNQAKY---NFGTYVKVFMPEMLKQVRIHSGQQQLSLHGWSLGGALSLCYTALFKDK-DIKNLMILASPIDTHKAGYMGKLYGSLTKPAQWVRKHTPFRIRQHVPSEVFHIHGWQNTLGFKLTAPIGNLKTYWQLLKNLDNREFIVDHATSSSFIDNMLAYPGGVMRDIILRFWIDNELSTGVIKFGELTAYLKDIDCSVLAVGGDTDIIVTADAVKPLMDLISSQDKTFKTVPS-GHMGVVSGSQAPTSVWPEMSNWLAMRSD 5H3H Chain:B ((4-269)) -------------------------------------------------------FIQAVDGTKIYVEDIG-------SGQPVVMLHGWPANNNMF-----EYQKNRLLEEGYRYIGVDYRGYGKSDAPATGYDYTTMASD-----INEVIQQLKLTNVTLLGFSMGGGIALKYLLNHG-ESNVSKLILAGAAAPVFTQRDGYPY------------GM---TK-----D---EVDAL-IEDTKQ--DRPSMLKGFGEIFFAKEHPEPLQ------QWFHNLS-VDA-SSHGTIQSAIA--------LRDEDLRDGLPKITVDTLIMHGKKDQVCPFEFAEVMHENIA--GSRLEVFEESGHGMFLD---EREKFTETLVSYVKSS--

General information: TITO was launched using: RESULT: Template: 5H3H.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 : 1573 -64286 -40.87 -246.31 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -40.87 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.346

(partial model without unconserved sides chains): PDB file : Tito_5H3H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5H3H-query.scw PDB file : Tito_Scwrl_5H3H.pdb: