Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTVQIITIDGPSGSGKGTLAAKLAAYYQFHLLDSGALYRLLGLSLHKHDLLEKLDSHLDECVNYARQLNIKFETSAEGTLVFLDGEDVTQTIRTERVGEYASKVAAIPELRQALFERQRAFAQTPGLVADGRDMATSIFPEANAKIYLTASAESRAERRVKQLQGMGLDAKINDILANIQARDKRDMEREVAPLKPAGDAYIIDSSELTIDQVFKLMVDYVNSRTVSN 3AKE Chain:A ((4-207)) ----IVTIDGPSASGKSSVARRVAAALGVPYLSSGLLYRAAAFLALRAGVDP---GDEEGLLALLEGLGVRLLAQAEGNRVLADGEDLTSFLHTPEVDRVVSAVARLPGVRAWVNRRLKEV--PPPFVAEGRDMGTAVFPEAAHKFYLTASPEVRAWRRARERP-----QAYEEVLRDLLRRDERD--QSA----PAPDALVLDTGGMTLDEVVAWVLAHIR------

General information: TITO was launched using: RESULT: Template: 3AKE.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 : 1043 -122280 -117.24 -605.34 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -117.24 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.580

(partial model without unconserved sides chains): PDB file : Tito_3AKE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AKE-query.scw PDB file : Tito_Scwrl_3AKE.pdb: