Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAAKTHFSEHTLKDILSRYTLGELLAFEPVTTGTVQTNYFLQTT-QG-RFVFRYYQNRSLESVLFESELIRYLTRCNYP-CPAVLQDRNGEHAGIYNEKPYAIFEFATGQHLDHPNEAQKRQLVQKVAELNSITRGYKPLHTPYRLN-YNVESCWELAQEA-------TQ----RIN-----------TAQAREKLAWLEHTLAGLHL--PPSLPRGVCHCDFHFSNLLFTDGKFSALIDFDDANYTFLLYDLAALINPFQASFDWNTWPRFQEEENVFDFSETRTILQEYTRHRALSMDEKWHLFDVYKLSILFDCIWYFERWEGEDFYEQRKIAYLDRLGRDQFYAQIFAD 4PDY Chain:A ((23-300)) ----------IPQAVVSKYDLA-IQQ---RH---ADGNIEVWTDSKGRRYAAKRSSI-APAHCRIMVQCLRHAQEQGFTKFARFVTTSSNAPYVRHGDFTYYVTEWVSGQPANFGLPEHVAQTAYTLAQFHEATRSFRTDWK-----DDVFGLFQARWRDLRQMWLGADRKREKDAFDQLLLSMRDELHRDAAESLALFEDRD-VIAYLEAERSSGGWCHLDVIPSNCLYTPQHQVVLIDFELARPAPRALDMAHLLRRSLERG-------------NWDGHLAYACFLHFDAVRNIPKSEYRAVEAILR-------------------------------------------

General information: TITO was launched using: RESULT: Template: 4PDY.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 : 977 -37705 -38.59 -153.90 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -38.59 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.275

(partial model without unconserved sides chains): PDB file : Tito_4PDY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4pdy-query.scw PDB file : Tito_Scwrl_4PDY.pdb: