Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDETKMSYQSIFRPDAFANKVIIVTGGGSGIGRCTAHELAALAAQVVITGRKIEKLEKVSQEIIEDGGLVHFIVCDNREEEQVKNMIAEVIEKFGKLDGLVNNAG----GQFPS-----ALENISANGFDAVVRNNLHATFYLMREAYNQWMAKHGGSIVNMTA--DMWGGMPGMGHSGAARSGVDNLTKTASVEWGKSGVRVNAVAPGWIVSSGMDNYSGDFAKVIIPSLAGNVPLKRMGTESEVSSAICYLLSDAAAFVSGVTLRIDGAASQGTRMYPLAEATNSQSYNGFHRAFIPEIFKKDKTEKVEQSNNSGSE 4NBW Chain:D ((5-257)) ------------------KRVAIITGAANGIGRATALEFAQAGYHVVAWDLAEEAGAALIAEIADAGGSADFARVDVSAAESVEAAVAEIIAEHGRVDVLVNNAGILHDGQLVKVKGGEVVKKMAEAQFDAVISVNLKGVFLCTQAVAPHMIAAKYGRILNASSVVGLYGNF-GQTNYVAAKSGVIGMTKVWARELGRYGITVNAIAPGFIATEMVQQ----MPERVLEAMVARTPVGRIGDPVDIARAYLFLASEESGFISGTTLSVDGGMVVGS-------------------------------------------

General information: TITO was launched using: RESULT: Template: 4NBW.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1263 -104216 -82.51 -430.64 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain D : 0.74 3D Compatibility (PKB) : -82.51 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.470

(partial model without unconserved sides chains): PDB file : Tito_4NBW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NBW-query.scw PDB file : Tito_Scwrl_4NBW.pdb: