Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNAVVIAVLLMLVLSLLRV---NIVIALIIGALAGG---LTGGLGLGETVKAFTDGLGGNATVAVSYAMLGAFAAALTKTGL-------PDAMVEASVKLIGNKEDSR-KKALSKVLIVLIILIV----SCFSQNVVPVHIAFIPVLIPPLLKI---FNEL---------------------------EMDRRLIACVITFGLTAPYILLPVGFGQ----------IFQGMLKDNMADAGLNVP---------------LADIPY---------ALIIPVAGMVVGLILSVIVYRKPKQYETKD--ISGAEASPYTRKSIGI---AVLAIVVSLGVQLYLS----------QTLGVEGMI--------MGALAGLIVLFVSGVMKRDEADS---------------LITDGMVLMAFIGFVMLVAAGFSNVLTKTGDVESLVKTSAGFIGHSQSLGALLML--------------------------------------------IVGLLITMGIGSSFATIPVITTIFVPLCMQLG----FSP-MATIAIIGAAAALGDAGS-PASDSTLGPTSGLSADGQH--HHIWDTCVPTFIFYNIPLVIFGWIAALVL-------- 4CGY Chain:A ((22-640)) FSRAAMEMALRGVRKVLCVAEKNDAAKGIADLLSNGRMRRREGLSKFNKIYEFDYHLYGQNVTMVMTSVSGHLLAHDFQMQFRKWQSCNPLVLFEAEIEKYCPENFVDIKKTLERETRQCQALVIWTDCDREGENIGFEIIHVCKAVKPNLQVLRARFSEITPHAVRTACENLTEPDQRVSDAVDVRQELDLRIGAAFTRFQTLRLQRIFPEVLAEQLISYGSCQFPTLGFVVERFKAIQAFVPEIFHRIKVTHDHKDGIVEFNWKRHRLFNHTACLVLYQLCVEDPMATVVEVRSKPKSKWRPQALDTVELEKLASRKLRINAKETMRIAEKLYTQGYISYPRTETNIFPRDLNLTVLVEQQTPDPRWGAFAQSILER-GGPTPRNGNKSDQAHPPIHPTKYTNNLQGDEQRLYEFIVRHFLACCSQ-DAQGQETTVEIDIA-QERFVAHGLMILARNYLDVYPYDHWSDKILPVYEQGSHFQPSTVEMVDGETSPPKLLTEADLIALMEKHGIGTDATHAEHIETIKARMYVGLTPDKRFLPGHLGMGLVEGYDSMGYEMSKPDLRAELEADLKLICDGKKDKFVVLRQQVQKYKQVFIEAVAKAKKLDEALAQYFGNGT

General information: TITO was launched using: RESULT: Template: 4CGY.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 : 1884 -146126 -77.56 -332.86 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -77.56 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.068

(partial model without unconserved sides chains): PDB file : Tito_4CGY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CGY-query.scw PDB file : Tito_Scwrl_4CGY.pdb: