Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSIVLFLIVFILLSLIVSRYLYSVALNVPSKIDVVFNPIEKLIYQLIGTKLEHMSGKTYIKHFLLFNGLMGGLSFVLLLIQQWLFLNPNHNLNQSVSLAFNTMASFLTNTNLQHYAGETDLSYLTQMCVITFLMFTSAASGYAVCIAMLRRL--TGMTDVIGNFYQDITRFIVRVL----IPFALIISLFLISQGTPQTLKGNLVIETLS----GVKQTIAYGPMASLESIKHLGTNGGGFLGANSSTPFENPTYWSNYAEALSMMLIPGSLVFLFGRMLKTKLQIHPHAIMIFVAMFVMFIGFLVTCLYFEFAGNPVLHHLGIAGGNMEGKETRFGIGLSALFTTITTAFTTGTVNNMHDSLTPLGGMVPMVLMMLNAVFGGEGVGLMNMLIYVMLTVFICSLMIGKTPSYLGMKIEGKEMKLIALSFLVHPLLILVFSALAFIVPGASDALTNPQFHGVSQVLYEFTSSSANNGSGFEGLGDNTVFWNISTGIVMLLARYIPIVLQILIVSSLVNKKTYQQHTQDVPINNLFFSSVLIIFIILLSGLTFLPDLMLGPIGEQLLLHA |
1PU1 Chain:A ((1-91)) | --------------------------------------------------------------------------------------------------------------------------------------------------MSLRKLTEGDLDEISSFLHNTISDFILKRVSAKEIVDIDITVLVEYTDELKVDISAELYLDELSDADPGIVDEAVDAAYRSLESFLDGFRE------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1PU1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -49495 for 483 contacts (-102.5/contact) +
2D Compatibility (PS) -8207 + (NN) 4344 + (LL) 37008
1D Compatibility (HY) -5200 + (ID) 850
Total energy: -22400.0 ( -46.38 by residue)
QMean score : 0.153
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