Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNAISLAVDQFVAVLTIHNPPANALSSRILEELSSCLDQCETDAGVRSIIIHGEGRFFSAGADIKEFTSLKGNEDSSLLAERGQQLMERIESFPKPIIAAIHGAALGGGLELAMACHIRIAAEDAKLGLPELNLGIIPGFAGTQRLPRYVGTAKALELIGSGEPISGKEALDLGLVSIGAKDEAEVIEKAKALAAKFAEKSPQTLASLLELLYSNKVYSYEGSLKLEAKRFGEAFESEDAKEGIQAFLEKRKPQFKGE 3PEA Chain:A ((8-260)) ---LSVRVEDHIAVATLNHAPANAMSSQVMHDVTELIDQVEKDDNIRVVVIHGEGRFFSAGADIKEFTSVTEAKQATELAQLGQVTFERVEKCSKPVIAAIHGAALGGGLEFAMSCHMRFATESAKLGLPELTLGLIPGFAGTQRLPRYVGKAKACEMMLTSTPITGAEALKWGLVN-GVFAEETFLDDTLKVAKQIAGKSPATARAVLELLQTTKSSHYYEGVQREAQIFGEVFTSEDGREGVAAFLEKRKPSFSG-

General information: TITO was launched using: RESULT: Template: 3PEA.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 : 1348 -142623 -105.80 -563.73 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -105.80 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.529

(partial model without unconserved sides chains): PDB file : Tito_3PEA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PEA-query.scw PDB file : Tito_Scwrl_3PEA.pdb: