Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKNCGSGQSKLKALRMHIYFEVDFQEQAQHYQAV-LHSRGVTVDLQPIEKLNARFLRLNPDLALCVDENGLWLSANGMKMQPDWKAEIPRLKRASLKSEMIARACQLGEKPVLVDATAGLGHDSLLMAYLGAQIQLVERHPILFTLLEDSKAQAQRDPFLSQFMDRIQLIFADSASYLKQLDQEEKTVDVVYLDPMFPQRDQNQQAIKKQAQVKKQMQLLHLLLPEDGEMDLGGHLLELAKKVAKRVIVKRPR---HAIFLANQEPAHQWQGDACRFDAYFQ----------- 3GDH Chain:B ((25-235)) ---------EIAAVPELAKYWA-------QRYRLFSRFDDGIKLD-------REGWFSVTP---------------------------------EKIAEHIAGRVSQ--SCDVVVDAFCGVGGNTIQFALTGMRVIAIDID-------PVKIALARNNAEVYGIADKIEFICGDFLLLASFL-----KADVVFLSPPWG---------GPDYATAETFDIRTMMSPD------GFEIFRLSKKITNNIVYFLPRNADIDQVASLAGPGGQVEIEQNFLNNKLKTITAYFGDLIR

General information: TITO was launched using: RESULT: Template: 3GDH.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 990 -20523 -20.73 -105.79 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : -20.73 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.406

(partial model without unconserved sides chains): PDB file : Tito_3GDH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GDH-query.scw PDB file : Tito_Scwrl_3GDH.pdb: