Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLLIGYFAYKRTSNLTDYMLGGRSLGPAVTALSAGAADMSGWLLMGLPGAMFSTGLSGAWIVIGLCLGAWANWLYVAPRLRTYTEKAGNSITIPGFLENRFGDQTKLLRLFSGIVILVFFTFYVSSGMVSGGVLFNSILGMDYHTGLWIVTGVVVAYTLFGGFLAVSWTDFVQGIIMFAALILVPIVTFFHTGGAGDTVAEIRSVDPDMFNIFKGT-------------SVLGIISLFAWGLGYFG-QPHIIVRFMAITSVKEIKRARRIGMGWMILSAVGAVLTGLGGIAYYHQRGMTLKD-------------PETIFIQLGNILFHPIITGFLISAILAAIMSTISSQLLVTSSSLVEDLYKSMFRRSASDKELVFLGRLAVLAVSIVALVLA--WEKNNTILGLVSYAWAGFGASFGPVVLLSLFWKRMTKWGALAGMIVGAATVIIWANAGLS-DFLYEMIPGFAASLLSVFFVSILTQAPSQAVTDQFNDYQDTMSQ-------------------------- 3DH4 Chain:A ((52-518)) --------------------AGKSLPWWAVGASLIAANISAEQFIGMSGSGYSIGLAIASYEWMSAITLIIVGKYFLPIFIE-----KGIYTIPEFVEKRFN--KKLKTILAVFWISLYIFVNLTSVLYLGGLALETILGIPLMYSILGLALFALVYS------IVVWTDVIQVFFLVLGGFMTTYMAVSFIGGTDGWFAGVSKMVDAAPGHFEMILDQSNPQYMNLPGIAVLIGGLWVANLYYWGFNQYIIQRTLAAKSVSEAQKGIVFAAFLKLIVPFLVVLPGIAAYVITSDPQLMASLGDIAATNLPSAANADKAYPWLTQFLPVG-VKGVVFAALAAAIVSSLASMLNSTATIFTMDIYKEYISPDSGDHKLVNVGRTAAVVALIIACLIAPMLGGIGQAFQYIQEYTGLVSPGILAVFLLGLFWKKTTSKGAIIGVVASIPFALFLKFMPLSMPFMDQMLYTLLFTMVVIAFTSLSTSINDDDPKGISVTSSMFVTDRSFNIAAYGIMIVLAVLYTLFWVLYK

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 : 1934 -217303 -112.36 -504.18 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -112.36 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.065

(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: