Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDALCLQFFYEKGVIMSILTLNNITQQFGDKILYEGVDLQLNAGEHLGLIGQNGAGKSTLIKIITGEILPD--------DGQIHWQKNIHKGYLDQYVEVDETLTIEEFLKTAYAKEYEKEEKIAFLYQTYSETFDDSLLEKA---GKLQTELDQGVFYQIDTLVAEMSSGLGIDVLGLDSLLKNLSGGQRSKVILAKLLLENPDVLILDEPTNHLDDQ---HIQWLTQFLQDFDGAYIVISHDQEFLDQITTHIADIEFGKITKYTGHLKQALKQKEQNRESYLRQYHAQQKQIEKTEAYIRKYKAGSRSTMAKSRQKQLDKIERLTPPASASKAVFDFPFSPIVTTLAVETTDLVIGYDRPLLAPINLTIRFGENIAIRGFNGIGKSTLLKTLIGEIEKISGDFHF-------PDNTKINYFSQDLYWENPLETPLQYLSSQFPKATIKELRRQLAKAGLVNQLASEPLTTLSGGEQTKVKLAQLTMNQGNLLILDEPTNHIDQETKESLQDGI----QKFPGTVIIVSHEQEFYQDLVQRVIEIEPK 1YQT Chain:A ((47-461)) -------------------------------------------GMVVGIVGPNGTGKSTAVKILAGQLIPNLCGDNDSWDGVI---RAFRGNELQNYFEKLKNGEIRPVVKPQYVDLIPKAVKGKVI----------ELLKKADETGKLE----------------EVVKALELENV-LEREIQHLSGGELQRVAIAAALLRNATFYFFDEPSSYLDIRQRLNAARAIRRLSEEGKSVLVVEHDLAVLDYLS-DIIHVVYGEPGVY-GIFSQP-KGTRNGINEFLRGY-LKDENVRFRPYEIKFTKTGERV-----------EIERET--------LVTYP-------------RLVKDYGSFRLEVEPGEIKKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKIEWDLTVAYKPQYIKADY--EGTVYELLSKIDASKLNSNFYKTEL------LKPLGIID-LYDREVNELSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHD-----------------

General information: TITO was launched using: RESULT: Template: 1YQT.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 : 1788 70256 39.29 180.14 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 39.29 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.342

(partial model without unconserved sides chains): PDB file : Tito_1YQT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YQT-query.scw PDB file : Tito_Scwrl_1YQT.pdb: