Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLRPHLKIEAKGTGSVSFFSEDWLTAQQARTFARELGRFPYMKELEFEDEKGGSWTLKELEKLTEELAQEPDDITVYFDGSFDKESE--LAGLGIVIYYSLGGTRHRLRKNKSFRLK-TNNEAEYAALYEAIREVRELGASRNSITIKGDSLVVLNQLDGSWPCYDPSHNEWLDKIEALLE-SLKLTPTYETIQRKDNQEADGLAKKILSHQFVESHTKLDRNGDDDIG 3ALY Chain:A ((2-129)) --------------------------------------------------------------------------IIGYFDGLCEPKNPGGIATFGFVIYLDNRKIEGYGLAEKPFSINSTNNVAEYSGLICLMETMLRLGIS--SPIIKGDSQLVIKQMNGE---YKVKAKRIIPLYEKAIELKKKLNATLIWVPREENKEADRLSR-----------------------

General information: TITO was launched using: RESULT: Template: 3ALY.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 : 626 12521 20.00 100.97 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 20.00 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.357

(partial model without unconserved sides chains): PDB file : Tito_3ALY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ALY-query.scw PDB file : Tito_Scwrl_3ALY.pdb: