Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTELITIKDLKVHYPIRSGFFNRVTDHVYAVDGVDFIIEKGKTYGLVGESGSGKSTTGKAVVGLEKVTAGQIMYEGKDVTKRSNRKKMGYNKDVQMIFQDSMSSLNPKKRVLDIIAEPIRNFERLSDQEEKKKVKGLLDIVGMPEDALYKYPHEFSGGQRQRLGVARAVATNPKLIVADEPVSALDLSVQAQVLNFMKRIQQEYGLSYLFISHDLGVVKHMCDNIAIMYKGRFVEIGTREDIYNDPRHIYTKRLLSAIPQIDVENRESHKENRRRVEQEYIQNQKEYYDATGRVYDLRTITTTHKVALKDGGAS 3TUI Chain:H ((34-272)) --------------------FHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQHF--NLLSSRTVFGNVALPLE-LDNTPKDEVKRRVTELLSLVGL-GDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHPKTPLAQKFIQSTLHLDI---------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3TUI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain H - contact count / total energy / energy per contact / energy per residue : 1162 -157415 -135.47 -658.64 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain H : 0.78 3D Compatibility (PKB) : -135.47 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.422

(partial model without unconserved sides chains): PDB file : Tito_3TUI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TUI-query.scw PDB file : Tito_Scwrl_3TUI.pdb: