Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEAQEIIRYIQTASKKTPVKVYLNVTEPIEFKESKVFGEGSSFVVFGDYETIAPVLEAESEKIIEIEIETAARYSAVPLLDIKKINARIEPGAIIRDQVSIGNNAVIMMGAIINIGAVIGENTMIDMGAVLGGRATVGKNCHIGAGAVLAGVIEPASAKPVIVEDGVLVGANAVIVEGVHIGKDAVVAAGAVVLEDVAAETVVGGIPARVLKISDDQTKENTALIAALREL 4EAA Chain:A ((101-218)) ---------------------------------------------------------------------------------------AIHPSAVVSPSVRLGEGVAVMAGVAINADSWIGDLAIINTGAVVDNDCRLGAACHLGPASALAGG--------VSVGERAFLGVGARVIPGVTIGADTIVGAGGVVVRDLPDSVLAIGVPAKIKGD------------------

General information: TITO was launched using: RESULT: Template: 4EAA.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 : 721 -144853 -200.90 -1227.56 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -200.90 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.572

(partial model without unconserved sides chains): PDB file : Tito_4EAA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4EAA-query.scw PDB file : Tito_Scwrl_4EAA.pdb: