Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIEIIISLGIYFIAMLLIGWYAFKKTTDINDYMLGGRGLGPFVTALSAGAADMSGWMLMGVPGAMFATGLSTLWLALGLTIGAYSNYLLLAPRLRAYTEAADDAITIPDFFDKRFQHSSSLLKIVSALIIMIFFTLYTSSGMVSGGRLFESAFGADYKLGLFLTTAVVVLYTLFGGFLAVSLTDFVQGAIMFAALVLVPIVAFTHVG---GVAPTFHEIDAVNPHLLDIFKGAS----------VISIISYLAWGLGYYG-QPHIIVRFMAIKDIKDLKPARRIGMSWMIITVLGSVLTGLIGVAYAHKFGVAVKD-------------PEMIFIIFSKILFHPLITGFLLSAILAAIMSSISSQLLVTASAVTEDLYRSFFRRKASDKELVMIGRLSVLVIAVIAVLL--SLNPNSTILDLVGYAWAGFGSAFGPAILLSLYWKRMNEWGALAAMIVGAATVLIWITTGLAKSTGVYEIIPGFILSMIAGIIVSMITKRP--------------------AKASYRLFGVMEKLLKRKK---- 3DH4 Chain:A ((52-518)) -----------------------------------AGKSLPWWAVGASLIAANISAEQFIGMSGSGYSIGLAIASYEWMSAITLIIVGKYFLPIFIE-----KGIYTIPEFVEKRF--NKKLKTILAVFWISLYIFVNLTSVLYLGGLALETILGIPLMYSILGLALFALVYS------IVVWTDVIQVFFLVLGGFMTTYMAVSFIGGTDGWFAGVSKMVDAAPGHFEMILDQSNPQYMNLPGIAVLIGGLWVANLYYWGFNQYIIQRTLAAKSVSEAQKGIVFAAFLKLIVPFLVVLPGIAAYVITSDPQLMASLGDIAATNLPSAANADKAYPWLTQFL-PVGVKGVVFAALAAAIVSSLASMLNSTATIFTMDIYKEYISPDSGDHKLVNVGRTAAVVALIIACLIAPMLGGIGQAFQYIQEYTGLVSPGILAVFLLGLFWKKTTSKGAIIGVVASIPFALFLKFMPLSMP-FMDQMLYTLLFTMVVIAFTSLSTSINDDDPKGISVTSSMFVTDRSFNIAAYGIMIVLAVLYTLFWVLYK

General information: TITO was launched using: RESULT: Template: 3DH4.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 : 1915 -217597 -113.63 -514.41 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -113.63 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.113

(partial model without unconserved sides chains): PDB file : Tito_3DH4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DH4-query.scw PDB file : Tito_Scwrl_3DH4.pdb: