Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTKQLTIYAMLIALTVALSLTILIPVPATNGFVTLCEAGIYTAAFLYGPTGGLVVGASSGLLIDLISGYPQWAVFSLVIH--------GLQGYVAGSFSKSSTRMWGLGLLLGSLVMIIGYGIAGWIL---YDWPAGVASIPGNIFQNLIGMGLAFPITASLQRIQARKQY------- 3RLB Chain:A ((17-192)) ---NVRLLTEIAFMAALAFIISLIPNTVYGWIIVEIACIPILLLSLRRGLTAGLVGGLIWGILSMITGHAYILSLSQAFLEYLVAPVSLGIAGLFRQKTAPLKLAPVLLGTFVAVLLKYFFHFIAGIIFWSQYAWKGWGAVAYSLAVNGISGILTAIAAFVILIIFVKKFPKLFIHSNY

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 : 705 -87862 -124.63 -556.09 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -124.63 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.251

(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: