Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGMWCTLCTSYTYQTNKKYIVFLGGHFKMAKEKFDRSKPHVNIGTIGHVDHGKTTLTAAITTVLSKKNGGQAMAYDQIDGAPEERERGITISTAHVE--------------YETD--------------TRHYAHVDCPGHADYVKNMITGAAQMDGAILVVSAADG-PMPQTREHILLSRQVGVPYIVVFLNKVDMVDDEELLELVEMEVRDL--LTEYEFPGDDVPVVAGSALKALEGDASYEEKILELMAAVDEYIPTPERD-NDKPFMMPVEDVFSITGRGT--------VATGRVERGQVRVGDEVEVVGIAEETSKTTVTGVEMFRKLLDYAEAGDNIGALLRGVAREDIQRGQVLAKPGTITPHTKFSAEVYVLTKEEGGRHTPFFTNYRPQFYFRTTDVTGVVELPEGTEMVMPGDNVTMEVELIHPIAIENGTKFSIREGGRTVGAGVVTEIKA 3QSY Chain:A ((3-256)) ---------------------------------WPKVQPEVNIGVVGHVDHGKTTLVQAITGIWTSKHS-------------EELKRGMTIKLGYAETNIGVCESCKKPEAYVTEPSCKSCGSDDEPKFLRRISFIDAPGHEVLMATMLSGAALMDGAILVVAANEPFPQPQTREHFVALGIIGVKNLIIVQNKVDVVSKEEALS----QYRQIKQFTKGTW-AENVPIIPVSALHKINIDS--------LIEGIEEYIKTPYRDLSQKPVMLVIRS-FDVNKPGTQFNELKGGVIGGSIIQGLFKVDQEIKVL-----------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3QSY.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 : 891 -13058 -14.66 -61.02 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -14.66 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.357

(partial model without unconserved sides chains): PDB file : Tito_3QSY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QSY-query.scw PDB file : Tito_Scwrl_3QSY.pdb: