Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MERKVLALQARKKRTKAKKDKAQRKSETQHRGSAPHSESDLPEQEEEILGSDDDEQEDPNDYCKGGYHLVKIGDLFNGRYHVIRKLGWGHFSTVWLSWDIQGKKFVAMKVVKSAEHYTETALDEIRLLKSVRNSDPNDPNREMVVQLLDDFKISGVNGTHICMVFEVLGHHLLKWIIKSNYQGLPLPCVKKIIQQVLQGLDYLHTKCRIIHTDIKPENILLSVNEQYIRRLAAEATEWQRSGAPPPSGSAVSTAPQPKPADKMSKNKKKKLKKKQKRQAELLEKRMQEIEEMEKESGPGQKRPNKQEESESPVERPLKENPPNKMTQEKLEESSTIGQDQTLMERDTEGGAAEINCNGVIEVINYTQNSNNETLRHKEDLHNANDCDVQNLNQESSFLSSQNGDSSTSQETDSCTPITSEVSDTMVCQSSSTVGQSFSEQHISQLQESIRAEIPCEDEQEQEHNGPLDNKGKSTAGNFLVNPLEPKNAEKLKVKIADLGNACWVHKHFTEDIQTRQYRSLEVLIGSGYNTPADIWSTACMAFELATGDYLFEPHSGEEYTRDEDHIALIIELLGKVPRKLIVAGKYSKEFFTKKGDLKHITKLKPWGLFEVLVEKYEWSQEEAAGFTDFLLPMLELIPEKRATAAECLRHPWLNS |
4BGQ Chain:A ((10-300)) | --------------------------------------------------------------------------VM-NKFEILGVVGEGAYGVVLKCRHKETHEIVAIKKFK----VKETTLRELKMLRTLKQ-----EN---IVELKEAFR----RRGKLYLVFEYVEKNMLELLEEMP-NGVPPEKVKSYIYQLIKAIHWCHKN-DIVHRDIKPENLLISHND-----------------------V---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LKLCDFGFARNLSE-------TRWYRSPELLLGAPYGKSVDMWSVGCILGELSDGQPLFPG------ESEIDQLFTIQKVLGPLPSEQMK-LFYSNPRFHG-LRFPAVN--HPQS----LERR--YLGILNSVLLDLMKNLLKLDPADRYLTEQCLNHPTFQT |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BGQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -180796 for 2117 contacts (-85.4/contact) +
2D Compatibility (PS) -28767 + (NN) -2734 + (LL) 19076
1D Compatibility (HY) -24400 + (ID) 3950
Total energy: -221571.0 ( -104.66 by residue)
QMean score : 0.497
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