Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNVIDALRKRRAVKRFDPAFQLSENDKKQLLQEVLANAPSAFNLQHWRPVIVEDAELRQKIR--AIAWDQPQVTESSLLIVLCAKVNTWEVDAKRVW-----DGA-SPEVQDIMVGAIDQYYRD-RPQTQRDEVMRSAGIFAQTLMLLAQEHGLDSCPMDGFDFDAMAKLINL-PEDHVVCLMIAVGKSASEPYLRVGKLPYDDVIIQNTF 4QLY Chain:A ((14-203)) -DLADVMFNRHSVRQFDPNVKIGRDELQKMIAEA-ATAPSACNLQSWHFVVVDTPEAKAKFKQAVMKFNYPQVDSASAIVFIAGDTQSHYV-YRDVWNKVYEDGNITKERLDQILGTFLPLYENATPDFLKFDATIDCSVVGMQLLLVARAHGYDANAFSGIDFEKMIPTLGLDPKRYVPVMGIAIGKAAQEP------------------

General information: TITO was launched using: RESULT: Template: 4QLY.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 : 759 -20962 -27.62 -116.45 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -27.62 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.591

(partial model without unconserved sides chains): PDB file : Tito_4QLY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QLY-query.scw PDB file : Tito_Scwrl_4QLY.pdb: