Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTNQTARSSKKERYANLIPMEELHSEKDRLFPFPIYDKLRRESPVRYDPLRDCWDVFKYDDVQFVLKNPKLFSSKRG----IQTESIL------TMDPPKHTKLRALVSRAFTPKAVKQLETRIKDVTAFLLQEARQKSTIDIIEDFAGPLPVIIIAEMLGAPIEDRHLIKTYSDVLVAGAK-----DSSDKAVADMVHNRRDGHAFLSDYFRDILSKRRAEPKEDLMTMLLQAEIDGEYLTEEQLIGFCILLLVAGNETTTNLIANAVRYLTEDSVVQQQVRQNTDNVANVIEETLRYYSPVQAIGRVATEDTELGGVFIKKGSSVISWIASANRDEDKFCKPDCFKIDRPSYPHLSFGFGIHFCLGAPLARLEANIALSSLLSMSACIEKAAHDEKLEAIPSPFVFGVKRLPVRITFK 4GGV Chain:A ((42-418)) ---------------------------------------RPESPVVFDETQGVWNVYGYPEAMDILNDHDTFTSDLAHLLPVSVDAPLLEGDMSQMDPPRHRKYRQLVSRAFTPRLVADMETRVADITRELLDAVDGKPEIEIAADLAYPLPVIVIAELLGVPAGDRDLFKKWADDIIEGFSGFSFLDTSGQGEQD-VRDATERLRPLLDYMAGHVTERRRTPREDLLTHLVQAEVDGERLTDNEIVNVANILLVTGHITTTMTLGNTVLCLDADPEVAAKVRADRSLVPGAIEEALRVLSPSAALARGTSREVEVAGTVIPKDQIVMLWLGAGNRDPRQFTDPEVYDPTRDPNPHFGFGRGIHFCLGAPLARLEGRVALNALFDRFPVL-RTDPAKPPTFFPTPDMIGVNTLHLRTS--

General information: TITO was launched using: RESULT: Template: 4GGV.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 : 1724 -203229 -117.88 -561.41 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -117.88 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.556

(partial model without unconserved sides chains): PDB file : Tito_4GGV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GGV-query.scw PDB file : Tito_Scwrl_4GGV.pdb: