Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEQTPIRKAVALHYDEQKDKAPRVIATGKGHVADNIIKEAKKAGVPIQEDRTLVE-LMRHLTVDDQIPEALYETVAEIFSFIYKLDESVKNKK 3B1S Chain:B ((264-341)) -----PTHIAIALKYNPEKDKAPVVVAKGKGTIAQKIVEIAENYSIPVVRKPELARALYPAVEVGKEISPKFYKAVAEIIAYV-----------

General information: TITO was launched using: RESULT: Template: 3B1S.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 : 257 -36870 -143.46 -478.83 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -143.46 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.780

(partial model without unconserved sides chains): PDB file : Tito_3B1S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3B1S-query.scw PDB file : Tito_Scwrl_3B1S.pdb: