Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPIAKLKREKRKDPLWGIILSIIVGSVLMIYPLSYDISGWRPLFMLMIMLFWVVCQPTWCGVWFAFGMGIFTDLLLDAPLGLNALSFVIVTFITRFLIRERRILTFGNLWTIATLVIIAHLAFMWVTQTMGGIHFSIARHWQPLMTSILTWPVVYYCLAKWRI 3RLB Chain:A ((19-81)) ------------RLLTEIAFMAALAFIISLIPN-TVYGWIIVEIACIPILLLSLRRGLTAGLVGGLIWGI-LSMITG--------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3RLB.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 : 167 -43633 -261.28 -692.59 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.51 3D Compatibility (PKB) : -261.28 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.51 QMean score : 0.206

(partial model without unconserved sides chains): PDB file : Tito_3RLB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RLB-query.scw PDB file : Tito_Scwrl_3RLB.pdb: