Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTIQWFPGHMAKARREVTEKLKLIDIVYELVDARIPMSSRNPMIEDILKNKPRIMLLNKADKADAAVTQQWKEHFENQGIRSLSINSVNGQGLNQIVPASKEILQEKFDRMRAKGVKPRAIRALIIGIPNVGKSTLINRLAKKNIAKTGDRPGITTSQQWVKVGKELELLDTPGILWPKFEDELVGLRLAVTGAIKDSIINLQDVAVFGLRFLEEHYPERLKERYGLDEIPEDIAELFDAIGEKRGCLMSGGLINYDKTTEVIIRDIRTEKFGRLSFEQPTM 3CNL Chain:A ((9-248)) ----------EKAKRQIKDLLRLVNTVVEVRDARAPFATSAYGVD--FSRKETIILLNKVDIADEKTTKKWVEFFKKQGKRVITTH--KGE------PRKVLLKKLSFDRL---------ARVLIVGVPNTGKSTIINKLKGKRA----------KGIQWFSLENGVKILDTPGILYKNIFSEDLAAKLLLVGSL--PVERIEDQRIF------ERAFEIFARSIGIE---SSFSEFFEDFARKRGLLKKGGVPDIERALMLFFTEVAQGKAGRVSFERP--

General information: TITO was launched using: RESULT: Template: 3CNL.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 : 1106 -108281 -97.90 -470.79 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -97.90 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.463

(partial model without unconserved sides chains): PDB file : Tito_3CNL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CNL-query.scw PDB file : Tito_Scwrl_3CNL.pdb: