Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------------MITQNKDILFRSPIMNKLMVYAYTGVVITMLFWGSAF-----------NAMSYVIQYMPPLSAAAERF----------TIASLGLF-----ILFAAI-----GKLSWAALRQNLVIYLIIGIIGIAGFNLGCFYGLQTTSAVNGALIM--ATTP-LITLLLTILLDG-----EKLTLNKFIGVVFGLSGVLFVI----SHGHISTLLHLKIAIGDLFILLGGVSFCLANVLSRRYVKNATPLETTTFSMMFGALTL----IILSVIFEHP---SQAIAMAPITA-----HLAMGYVIICSTMIAYLFWFNGIQKLG--------AGRASI--FFNFVPVFSMLV--ALLAGQSLNIWQLIGTALVMLGVMSSGGF------IQIKRPALIAKPCTK--------------------------------------------------------- 5HZD Chain:A ((3-511)) VRLYSCDACPHAVFTTHAALLAHAEEHHADLLPDHARLRRIAQKLNPVWNRALNARRNTITSWGKKIFHVAAQRDAGESKMQEAHRARAQLECVVRRWHDKARVFIFGSSVAMGVWDGTADIDFAVVDVDAMERGSWPPLEKNAVRSITELLRRV-GFS---FVNLEPISHARVPIIKHHASSPDVVARSIRFILNGPATREDRLLLEGSVRDAVGPTGVQQVWWNRTSDMMSATLESTTAAVRAAMCSPALASASLRTKVQPAHDECRPELYNIDFDLSFRAFGIRNSTLLRKYLLSHPCARPGAIVLKDWSKTSGVNNSVNGY---FTSYAINIMWIYYLVQKGYVPYVDPLEIPESLVNYTDFDPRYTPMIDPEITNTEREELYKAAGDMLVGFFYFYSFEFDWGHNVISLNRPGITTKRMLGWHVEDVRHPTRYELCIEDPYEENLNLGRHIGVTKSLRVRTELYRGLLSLLKECVFAA

General information: TITO was launched using: RESULT: Template: 5HZD.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 : 1292 -114828 -88.88 -363.38 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -88.88 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.108

(partial model without unconserved sides chains): PDB file : Tito_5HZD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HZD-query.scw PDB file : Tito_Scwrl_5HZD.pdb: