Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTKQLTIYAMLIALTVALSLTILIPVPATNGFVTLCEAGIYTAAFLYGPTGGLVVGASSGLLIDLISGYPQWAVFS-----LVIHGLQGYVAGSFSKSSTR----MWGLGLLLGSLVMIIGYGIAGWILYDW----------PAGVASIPGNIFQNLIGMGLAFPITASLQRIQARKQY 4MES Chain:B ((6-182)) FNVRLLTEIAFMAALAFIISL-IPN-TVYGWIIVEIACIPILLLSLRRGLTAGLVGGLIWGILSMITGHAYILSLSQAFLEYLVAPVSLGI-AGLFRQKTAPLKLAPVLLGTFVAVLLKYFFHFIAGIIFWSQYAWKGWGAVAYSLAVNGISGILTAIAAFVILIIFVKKFPKLFIHSNY

General information: TITO was launched using: RESULT: Template: 4MES.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 711 -116529 -163.89 -737.53 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : -163.89 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.116

(partial model without unconserved sides chains): PDB file : Tito_4MES.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MES-query.scw PDB file : Tito_Scwrl_4MES.pdb: