Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | --MLQNIGQTGIQATRIALGCMRM--SDLEGKQAEEVVGTALDLGINFFDHADIYGGGLSELRFRDAIKHLNVNRDKMIIQSKC---GIREGYFDFSKEYILSSVDGILERLGTEYLDFLILHRPDVLVEPEEVAEAFTKLRAEGKVKHFGVSNQNRFQMELLQSYLDEPLAVNQLQLSPAHTPMFDAGLNVNMLNKASIEHDDGIVDYCRLKRVTIQAWSPFQIDLSRGLF------------------------VNHPDYKELNETIAKLAKNYNVSSEAIVIAWILRHPAQIQAIVGSMNPSRLKAIDKANDIA--LTREEWYDIYRSAGNILP |
1QRQ Chain:A ((1-325)) | LQFYRNLGKSGLRVSCLGLGTWVTFGGQITDEMAEHLMTLAYDNGINLFDTAEVYAAGKAEVVLGNIIKKKGWRRSSLVITTKIFWGGKAETERGLSRKHIIEGLKASLERLQLEYVDVVFANRPDPNTPMEETVRAMTHVINQGMAMYWGTSRWSSMEIMEAYSVARQF----NLIPPICEQAEY------HMFQREKVEVQ--LPELFHKIGVGAMTWSPLACGIVSGKYDSGIPPYSRASLKGYQWLKDKILSEEGRRQQAKLKELQAIAERLGCTLPQLAIAWCLRNEGVSSVLLGASNAEQLMENIGAIQVLPKLSSSIVHEIDSILGNKPY |
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General information:
TITO was launched using:
| RESULT:
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Template: 1QRQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -161073 for 2507 contacts (-64.2/contact) +
2D Compatibility (PS) -30855 + (NN) -7872 + (LL) 368
1D Compatibility (HY) -13600 + (ID) 3350
Total energy: -216382.0 ( -86.31 by residue)
QMean score : 0.490
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