Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MGRRKS--VLYFYDENIGNFH--YGPSHPMKPHRVRMTHDLIQAYDLLQSMDIVKPLKPAVEDLTRFHANDYVDFLRASA---QSRLEASLSPRPFL-----FFSPSPAAARSA------------------SRP----SPPPQAEG-------AAAVSAGAS------------------GVSVVQSGSGSRVRSTLH--------PLRSESRSVS----------------------------------PATSAFDSRVPPEAVGADALSSTDARG--RTPPKSL--------GADLG------PGGWSRAATQKP--PFLQASSGDGA-HGPL-GLQCPSAAEETGTGGQA--PAWA----------------PPGVSPSLRRGEDANGLLSSAAF-------------------------------------------DEEVA-------APPVPLSSSLADQMARFNVGEDCPVF--DGLWEYCQTYSGGSIEGARRVVRGEYDWAINWAGGL-HHGKKHEASGFCYINDCVLAALEFLRFKH---RVLYVDVDIHHGDGVEEAFYTSPRVLCCSFHKY--GDYFPGTGA--LDDVGIDEGLGYSVNVPLSEG-VDDAMYTRLFRQVMDMIMESYRPEAVVLQCGADSLSGDRLGCFNLSIDGHSEAVRYFCSKDV-PALFLGGGGYTLRNVPRCWATETGYVLGLSLNPNIPEESEYVGYYGPDSTLHVRTSNMENRNEDSYVQHVIERISQTLKDHVRPVGAQISANYFLDDSVMDKSDQIRALLADEEEEKAMDSSGDAEDADGAGRFEEISNRNRG 5G0J Chain:A ((17-772)) VQGKSKATGTGLVYVDAFTRFHCLWDASHPECPARVSTVMEMLETEGLLGRCVQVEARAVTEDELLLVHTKEYVELMKSTQNMTEEELKTLAEKYDSVYLHPGFFSSACLSVGSVLQLVDKVMTSQLRNGFSINRPPGHHAQADKMNGFCMFNNLAIAARYAQKRHRVQRVLIVDWDVHHGQGIQYIFEEDPSVLYFSVHRYEDGSFWPHLKESDSSSVGSGAGQGYNINLPWNKVGMESGDYITAFQQLLLPVAYEFQPQLVLVAAGFDAVIG-DPKGGMQVSPECFSILTHMLKGVAQGRLVLALEGGYNLQSTAEGVCASMRSLLGDPCPHLPSSGAPCESALKSISKTISDLYPFWKSLQTFEGGPLSEVSPLPAPVCAEVKVSSPITGLVYDQRMMLHHNMWDSHHPELPQRISRIFSRHEELRLLSRCHRIPARLATEEELALCHSSKHISIIKSSEHMKPRDLNRLGDEYNSIFISNESYTCALLAAGSCFNSAQAILTGQVRNAVAIVRPPGHHAEKDTACGFCFFNTAALTARYAQSITRESLRVLIVDWDVHHGNGTQHIFEEDDSVLYISLHRYEDGAFFPNSEDANYDKVGLGKGRGYNVNIPWNGGKMGDPEYMAAFHHLVMPIAREFAPELVLVSAGFDAARGDPLGGFQVTPEGYAHLTHQLMSLAAGRVLIILEGGYNLTSISESMSMCTSMLLGDS----------------PPSL-----------------------------DHLTPL--KTSATVSINNVLRAHAPFWSSLRVNIPESLRLSL----------------------

General information: TITO was launched using: RESULT: Template: 5G0J.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 : 3167 88283 27.88 159.36 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 27.88 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.295

(partial model without unconserved sides chains): PDB file : Tito_5G0J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5g0j-query.scw PDB file : Tito_Scwrl_5G0J.pdb: