Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKFNEIFLDLEQKILAKEYPPHSLLPSENQLIKIYGVSRETIRKALNLLTTEGYIQKKQGKGSIVLDRNRFDFPISGLTSYKELQETQRIPSETIIHTLEETEVTKALNEITGWEIGAPVWHLIRERKINGEVVILDTDYLLKEIVPILTPAQAQGSIYEYFENELSLTIAYAQKEITVEEVTEIMKTAMDLHDDTYAVVVRSLVHLEDTRCFEYSESVHRLDKFRFVEFARRRKV 4U0W Chain:A ((15-244)) ---YYQIMEQLKTQIKNGELQPDMPLPSEREYAEQFGISRMTVRQALSNLVNEGLLYRLKGRGTFV-SKPKMEQALQGLTSFTEDMKSRGMTPGSRLIDYQLIDSTEELAAILGCGHPSSIHKITRVRLANDIPMAIESSHIPFELAGELNESHFQSSIYDHIERYNSIPISRAKQELEPSAATTEEANILGIQKGAPVLLIKRTTYLQNGTAFEHAKSVYRGDRYTFVHYMDR---

General information: TITO was launched using: RESULT: Template: 4U0W.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 : 1012 -88843 -87.79 -386.27 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -87.79 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.443

(partial model without unconserved sides chains): PDB file : Tito_4U0W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U0W-query.scw PDB file : Tito_Scwrl_4U0W.pdb: