Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRARIIYNPTSGREIFKKHLAQVLQKFEQAGYETSTHATTCAGDATHAAKEAALREFDLIIAAGGDGTINEVVNGLAPLD--NRPTLGVIPVGTTNDFARALGIPREDILKAADTVINGVARPIDIGQVNG-QYFINIAGGGRLTELTYDVPSKLKTMLGQLAYYLKGMEMLPSLRPTEVEIEYDGKLFQGEIMLFLVTLTNSVGGFEKLAPDSSLNDGMFDLMILKKANLAEFIRVATMALRGEHINDQHIIYTKANRVKVNVSEKMQLNLDGEYGGMLPGEFVNLYRHIHVVMPKEKAEQLDD 2BON Chain:A ((30-325)) -PASLLILNGKSTDNL---PLREAIMLLREEGMTIHVRVTWEKGDAARYVEEARKFGVATVIAGGGDGTINEVSTALIQCEGDDIPALGILPLGTANDFATSVGIPEA-LDKALKLAIAGDAIAIDMAQVNKQTCFINMATGGFGTRI----------ALGSVSYIIHGLMRMDTLQPDRCEIRGENFHWQGDALVIGIGNGRQAGGGQQLCPNALINDGLLQLRIFTGDEILPAL---VSTLKS-DEDNPNIIEGASSWFDIQAPHDITFNLDGEPLSGQNFHIEILPAALRCRLPPDCPLLRS-

General information: TITO was launched using: RESULT: Template: 2BON.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 : 1733 -203305 -117.31 -718.39 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -117.31 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.493

(partial model without unconserved sides chains): PDB file : Tito_2BON.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BON-query.scw PDB file : Tito_Scwrl_2BON.pdb: