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 3I1F Chain:B ((3-256)) ---------------------------------WPKVQPEVNIGVVGHVDHGKTTLVQAITGIWTSKHS-------------EELKRGMTIKLGYAETNIGVCESCKKPEAYVTEPSCKSCGSDDEPKFLRRISFIDAPGHEVLMATMLSGAALMDGAILVVAANEPFPQPQTREHFVALGIIGVKNLIIVQNKVDVVSKEEALS----QYRQIKQFTKGTW-AENVPIIPVSALHKINIDS--------LIEGIEEYIKTPYRDLSQKPVMLVIRS-FDVNKPGTQFNELKGGVIGGSIIQGLFKVDQEIKVL-----------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3I1F.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1059 -39246 -37.06 -183.39 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.67 3D Compatibility (PKB) : -37.06 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.375

(partial model without unconserved sides chains): PDB file : Tito_3I1F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3I1F-query.scw PDB file : Tito_Scwrl_3I1F.pdb: