Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREKTDTLPKATAKRLPLYLRYLKMLDDSGISRIKSNEFSEITQIPSATIRRDFSQLGELGRSGYGYDVPFLIDVFNNILNTKEEKRIALVGYGNLGKALKHNNFRRNENLNIVCVFDNDPALINRVIDGEMIYPIDRFAEIAKAKNVTVAISTVPSKYSQSAIDEIVKGNVTAILNFAPDRVTVPAYVNVQYIDLTTELQTLIYFDENYSEVFS 3WGI Chain:D ((4-210)) ----KTIVSMAVIRRLPRYHRYLEELLKNDVKRISSRELSEKMGVTASQIRQDLNNFGGFGQQGYGYNVEELYNNLTKILGLDKTYNTIIIGAGNLGQAIANYTSFEKSGFNLKGIFDINPRLFGLKIRDVEVMDVETVEDFIARNKIDIGILCIPKDNAQYTADRLVRAGIKAIWNFLPIDLKVPDDVILENVHLSDSLFTVSYRLNEEE----

General information: TITO was launched using: RESULT: Template: 3WGI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 827 -130107 -157.32 -628.53 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain D : 0.74 3D Compatibility (PKB) : -157.32 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.528

(partial model without unconserved sides chains): PDB file : Tito_3WGI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WGI-query.scw PDB file : Tito_Scwrl_3WGI.pdb: