Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKKWSGLFVIAACFLLVAACGNSSTKGSADSKGDKLHVVTTFYPMYEFTKQIVKDKGDVDLLIPSSVEPHDWEPTPKDIANIQDADLFVYNSEYMETWVPSAEK-SMGQGHAVFVNASKGIDLMEGSEEEHEEHDHGEHEHSH-AMDPHVWLSPVLAQKEVKNITAQIVKQDPDNKEYYEKNSKEYIAKLQDLDKLYRTTAKKAEKKEFITQHTAFGYLAKEYGLKQVPIAGLSPDQEPSAASLAKLKTYAKEHNVKVIYFEEIASSKVADTLASEIGAKTEVLNTLEGLSKEEQDKGLGYIDIMKQNLDALKDSLLVKS 1PQ4 Chain:A ((1-269)) ----------------------------------DAMDITVSIPPQQYFLEKIGGDLVRVSVLVPGNNDPHTYEPKPQQLAALSEAEAYVLIGLGFEQ--PWLEKLKAANANMKLIDSAQGITPLEM---EK------------MVADPHIWLSPTLVKRQATTIAKELAELDPDNRDQYEANLAAFLAELERLNQELGQILQPLPQRKFIVFHPSWAYFARDYNLVQIPIE--VEGQEPSAQELKQLIDTAKENNLTMVFGETQFSTKSSEAIAAEIGAGVELLDPL---------------------------------

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 : 1121 -97671 -87.13 -419.19 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -87.13 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.568

(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: