Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKNRVWVEGTIVAALAMVLSLIPIQIGSSFSISLGQIPLTLFALRRGTKAGMLAGFIWGILHFPLGQVYYLSVVQVLIEYPIAYTFAGAAGLMASNVQKGYVDDNTKQIRKS-IVFGALIGALSRYFWHFIAGVVFWGAYALWGMNSWLFSFVMNGASGLSTAIVTIIVLLGIQQTTPSIFVPDKRQEL 4N4D Chain:B ((9-181)) ----RLLTEIAFMAALAFIISLIPNTVYGWIIVEIACIPILLLSLRRGLTAGLVGGLIWGILSMITGHAYILSLSQAFLEYLVAPVSLGIAGLF---------RQKTAPLKLAPVLLGTFVAVLLKYFFHFIAGIIFWSQYAWKGWGAVAYSLAVNGISGILTAIAAFVILIIFVKKFPKLFIHSN----

General information: TITO was launched using: RESULT: Template: 4N4D.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 : 793 -145116 -183.00 -843.70 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -183.00 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.284

(partial model without unconserved sides chains): PDB file : Tito_4N4D.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4N4D-query.scw PDB file : Tito_Scwrl_4N4D.pdb: