Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGLFDFVKGIGKKNTAPAEPQAAPATPAEPSAQEIANKLLGLIKSLGLGVEGLSVTYNGSTDTAIIKGQVQSQADKEKIILIVGNVDHVAQVDDQMTVATPEPESKFYTVKSGDNLSKIAKEFYGDANQYQKIFEANKPMLKDPDEIFPGQVLRIPQ 4S3K Chain:A ((4-54)) --------------------------------------------------------------------------------------------------------AQIYTVKAGDSIYSIAKQFRIDAG---KIIRANE--LPNPNQLVIGQSMVIP-

General information: TITO was launched using: RESULT: Template: 4S3K.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 : 146 -23292 -159.53 -495.57 target 2D structure prediction score : 0.83 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -159.53 2D Compatibility (Sec. Struct. Predict.) : 0.83 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.759

(partial model without unconserved sides chains): PDB file : Tito_4S3K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4S3K-query.scw PDB file : Tito_Scwrl_4S3K.pdb: