Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSGELANYKRLEKVGEGTYGVVYKALDLRPGQGQRVVALKKIRLESEDEGVPSTAIREISLLKELKDDNIVRLYDIVHSDAHKLYLVFEFLDLDLKRYMEGIPKDQPLGADIVKKFMMQLCKGIAYCHSHRILHRDLKPQNLLINKDGNLKLGDFGLARAFGVPLRAYTHEIVTLWYRAPEVLLGGKQYSTGVDTWSIGCIFAEMCN-RKPIFSGDSEIDQIFKIFRVLGTPNEAIWPDIVYLPDFKPSFPQWR-RKDLSQVVPSLDPRGIDLLDKLLAYDPINRISARRAAIHPYFQES |
4AU8 Chain:A ((5-292)) | ----SQKYEKLEKIGEGTYGTVFKAKNRETH---EIVALKRV---------PSSALREICLLKELKHKNIVRLHDVLH----KLTLVFEFCDQDLKKYFDSC--NGDLDPEIVKSFLFQLLKGLGFCHSRNVLHRDLKPQNLLINRNGELKLADFGLARAFGIPVR--SAEVVTLWYRPPDVLFGAKLYSTSIDMWSAGCIFAELANAGRPLFPGNDVDDQLKRIFRLLGTPTEEQWPSMTKLPDYKP-YPMYPATTSLVNVVPKLNATGRDLLQNLLKCNPVQRISAEEALQHPYFSD- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AU8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -178104 for 2219 contacts (-80.3/contact) +
2D Compatibility (PS) -28442 + (NN) -7722 + (LL) 872
1D Compatibility (HY) -31600 + (ID) 7750
Total energy: -252746.0 ( -113.90 by residue)
QMean score : 0.495
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