Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASIAVCPGSFDPVTYGHLDIIKRGAHIFEQVYVCVLNNSSKKPLFSVEERCELLREVTKDIPNITVETSQGLLIDYAKRKNAKAILRGLRAVSDFEYEMQGTSVNRVLDESIETFFMMTNNQYSFLSSSIVKEVARYNGSVSEFVPPEVELALQQKFRQG 4NAU Chain:C ((4-160)) --TIAVIPGSFDPITYGHLDIIERSTDRFDEIHVCVLKNSKKEGTFSLEERMDLIEQSVKHLPNVKVHQFSGLLVDYCEQVGAKTIIRGLRAVSDFEYELRLTSMNKKLNNEIETLYMMSSTNYSFISSSIVKEVAAYRADISEFVPPYVEKALKKKFK--

General information: TITO was launched using: RESULT: Template: 4NAU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 712 -98328 -138.10 -626.29 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain C : 0.90 3D Compatibility (PKB) : -138.10 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.451

(partial model without unconserved sides chains): PDB file : Tito_4NAU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NAU-query.scw PDB file : Tito_Scwrl_4NAU.pdb: