Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKKWSGLFVIAACFLLVAACGNSSTKGSADSKGDKLHVVTTFYPMYEFTKQIVKDKGDVDLLIPSSVEPHDWEPTPKDIANIQDADLFVYNSEYME-TWVPSAEKSMGQGHAVFVNASKGIDLMEGSEEEHEEHDHGEHEHSHAMDPHVWLSPVLAQKEVKNITAQIVKQDPDNKEYYEKNSKEYIAKLQDLDKLYRTTAKKAEKKEFITQHTAFGYLAKEYGLKQVPIAGLSPDQEPSAASLAKLKTYAKEHNVKVIYFEEIASSKVADTLASEIGAKTEVLNTLEGLSKEEQDKGLGYIDIMKQNLDALKDSLLVKS 1PQ4 Chain:A ((2-289)) -----------------------------------AMDITVSIPPQQYFLEKIGGDLVRVSVLVPGNNDPHTYEPKPQQLAALSEAEAYVLIGLGFEQPWLEKLKAANA--NMKLIDSAQGITPLEMEK--------------MVADPHIWLSPTLVKRQATTIAKELAELDPDNRDQYEANLAAFLAELERLNQELGQILQPLPQRKFIVFHPSWAYFARDYNLVQIPIE--VEGQEPSAQELKQLIDTAKENNLTMVFGETQFSTKSSEAIAAEIGAGVELLDPLA----------ADWSSNLKAVAQKIANANS---

General information: TITO was launched using: RESULT: Template: 1PQ4.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 : 1310 -125496 -95.80 -496.03 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -95.80 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.628

(partial model without unconserved sides chains): PDB file : Tito_1PQ4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1PQ4-query.scw PDB file : Tito_Scwrl_1PQ4.pdb: