Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MERKVLALQARKKRTKAKKDKAQRKSETQHRGSAPHSESDLPEQEEEILGSDDDEQEDPNDYCKGGYHLVKIGDLFNGRYHVIRKLGWGHFSTVWLSWDIQGKKFVAMKVVKSAEHYTETALDEIRLLKSVRNSDPNDPNREMVVQLLDDFKISGVNGTHICMVFEVLGHHLLKWIIKSNYQGLPLPCVKKIIQQVLQGLDYLHTKCRIIHTDIKPENILLSVNEQYIRRLAAEATEWQRSGAPPPSGSAVSTAPQPKPADKMSKNKKKKLKKKQKRQAELLEKRMQEIEEMEKESGPGQKRPNKQEESESPVERPLKENPPNKMTQEKLEESSTIGQDQTLMERDTEGGAAEINCNGVIEVINYTQNSNNETLRHKEDLHNANDCDVQNLNQESSFLSSQNGDSSTSQETDSCTPITSEVSDTMVCQSSSTVGQSFSEQHISQLQESIRAEIPCEDEQEQEHNGPLDNKGKSTAGNFLVNPLEPKNAEKLKVKIADLGNACWVH---KHFTEDIQTRQYRSLEVLIGS-GYNTPADIWSTACMAFELATGDYLFEPHSGEEYTRDEDHIALIIELLGKVPRKLIVAGKYSKEFFTKKGDLKHITKLKPWGLFEVLVEKYEWSQEEAAGFTDFLLPMLELIPEKRATAAECLRHPWLNS |
3NIZ Chain:A ((15-306)) | -----------------------------------------------------------------------YFQGLMEKYQKLEKVGEGTYGVVYKAKDSQ-GRIVALKRIR---GIPSTAIREISLLKELH-----HPN---IVSLIDVIH----SERCLTLVFEFMEKDLKKVLDE-NKTGLQDSQIKIYLYQLLRGVAHCHQH-RILHRDLKPQNLLIN--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SDGALKLADFGLARAFGIPVR---HEVVTLWYRAPDVLMGSKKYSTSVDIWSIGCIFAEMITGKPLFPGV------TDDDQLPKIFSILGTPNPREWPQVQELPLWKQRT--F-QVFEKKPWSSI---IPG------FCQEGIDLLSNMLCFDPNKRISARDAMNHPYFKD |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NIZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -193854 for 2205 contacts (-87.9/contact) +
2D Compatibility (PS) -29290 + (NN) -5172 + (LL) 17884
1D Compatibility (HY) -20400 + (ID) 4250
Total energy: -235082.0 ( -106.61 by residue)
QMean score : 0.474
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