Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTIQWFPGHMAKARREVTEKLKLIDIVYELVDARIPMSSRNPMIEDILKNKPRIMLLNKADKADAAVTQQWKEHFENQGIRSLSINSVNGQGLNQIVPASKEILQEKFDRMRAKGVKPRAIRALIIGIPNVGKSTLINRLAKKNIAKTGDRPGITTSQQWVKVGKELELLDTPGILWPKFEDELVGLRLAVTGAIKDSIINLQDVAVFGLRFLEEHYPERLKERYGLDEIPEDIAELFDAIGEKRGCLMSGGLINYDKTTEVIIRDIRTEKFGRLSFEQPTM 3CNN Chain:A ((13-248)) --------------RQIKDLLRLVNTVVEVRDARAPFATSAYGVD--FSRKETIILLNKVDIADEKTTKKWVEFFKKQGKRVITTH--KGE------PRKVLLKKLSFDRL---------ARVLIVGVPNTGKSTIINKLKGKRA-----------GIQWFSLENGVKILDTPGILYKNIFSEDLAAKLLLVGSL--PVERIEDQRIF------ERAFEIFARSIGIE---SSFSEFFEDFARKRGLLKKGGVPDIERALMLFFTEVAQGKAGRVSFERP--

General information: TITO was launched using: RESULT: Template: 3CNN.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 : 1104 -113661 -102.95 -505.16 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -102.95 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.459

(partial model without unconserved sides chains): PDB file : Tito_3CNN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CNN-query.scw PDB file : Tito_Scwrl_3CNN.pdb: