Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MERKVLALQARKKRTKAKKDKAQRKSETQHRGSAPHSESDLPEQEEEILGSDDDEQEDPNDYCKGGYHLVKIGDLFNGRYHVIRKLGWGHFSTVWLSWDIQGKKFVAMKVVKSAEHYTETALDEIRLLKSVRNSDPNDPNREMVVQLLDDFKISGVNGTHICMVFEVLGHHLLKWIIKSNYQGLPLPCVKKIIQQVLQGLDYLHTKCRIIHTDIKPENILLSVNEQYIRRLAAEATEWQRSGAPPPSGSAVSTAPQPKPADKMSKNKKKKLKKKQKRQAELLEKRMQEIEEMEKESGPGQKRPNKQEESESPVERPLKENPPNKMTQEKLEESSTIGQDQTLMERDTEGGAAEINCNGVIEVINYTQNSNNETLRHKEDLHNANDCDVQNLNQESSFLSSQNGDSSTSQETDSCTPITSEVSDTMVCQSSSTVGQSFSEQHISQLQESIRAEIPCEDEQEQEHNGPLDNKGKSTAGNFLVNPLEPKNAEKLKVKIADLGNACWVH---KHFTEDIQTRQYRSLEVLIGSG-YNTPADIWSTACMAFELATGDYLFEPHSGEEYTRDEDHIALIIELLGKVPRKLIVAGKYSKEFFTKKGDLKHITKLKPWGLFEVLVEKYEWSQEEAAGFTDFLLPMLELIPEKRATAAECLRHPWLNS |
4AU8 Chain:A ((4-292)) | ---------------------------------------------------------------------------GSQKYEKLEKIGEGTYGTVFKAKNRETHEIVALKRV------PSSALREICLLKELKH-----KN---IVRLHDVLH-------KLTLVFEFCDQDLKKYFDSCN-GDLDPEIVKSFLFQLLKGLGFCHSR-NVLHRDLKPQNLLIN--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RNGELKLADFGLARAFGIPVR--SAEVVTLWYRPPDVLFGAKLYSTSIDMWSAGCIFAELANAGRPLFPGN-----DVDDQLKRIFRLLGTPTEEQWPS-------------MTKLPDYKPYPMYPATTSLVNVVPKLNATGRDLLQNLLKCNPVQRISAEEALQHPYFSD |
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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) -180920 for 2211 contacts (-81.8/contact) +
2D Compatibility (PS) -28494 + (NN) -2765 + (LL) 17772
1D Compatibility (HY) -20800 + (ID) 4000
Total energy: -219207.0 ( -99.14 by residue)
QMean score : 0.462
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