Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDIKIKREEIMKKFSKTLRDNWIFLLMVLPGALWLILFFYIPVFGNVVAFKDYHMTSNGFIDSIINSKWVGLDNFRFLFSSRDAFIITRNTVLYNLGFIFLGLVVSVGIAIILSELRSKRMVKIFQTSMLFPYFLSWVIISFFTDAFLNIDKGVFNHLLESL-GLKEVNFYADLGIWPYLLLFLGIWKGFGYSSVMYYATIMGIDPTYYEAATVDGASKWQRIRNVTIPQLTPLVTVLTILAVGNIFRADFGLFYQIPHNAGQLYNVTNVLDVYVFNGLTQTADIGMAAAAGLYQSVVGLILVILSNLLARRVDPNSALF 3PUY Chain:F ((284-431)) ------------------------------------------------------------------------------------------TVVFSLITVFLTVAVGMVLACLV-QWEALRGKAVYRVLLILPYAVPSFISILIFKGLFNQSFGEINMMLSALFGVKPA-WFSDPTTARTMLIIVNTWLGYPYMMILCMGLLKAIPDDLYEASAMDGAGPFQNFFKITLPLLIKPLTPLMI--------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3PUY.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 410 -74446 -181.57 -506.43 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain F : 0.58 3D Compatibility (PKB) : -181.57 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.219

(partial model without unconserved sides chains): PDB file : Tito_3PUY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PUY-query.scw PDB file : Tito_Scwrl_3PUY.pdb: