Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTRPQAAAEDARNAMVAGLLASGISVNGLQPSHNPQVAAQMFTTATRLDPKMCDAWLARLLAGDQSIEVLAGAWAAVRTFGWETRRLGVTDLQFRPEVSDGLFLRLAITSVDSLACAYAAVLAEAKRYQEAAELLDATDPRHPFDAELVSYVRGVLYFRTKRWPDVLAQFPEATQWRHPELKAAGAAMATTALASLGVFEEAFRRAQEAIEGDRVPGAANIALYTQGMCLRHVGREEEAVELLRRVYSRDAKFTPAREALDNPNFRLILTDPETIEARTDPWDPDSAPTRAQTEAARHAEMAAKYLAEGDAELNAMLGMEQAKKEIKLIKSTTKVNLARAKMGLPVPVTSRHTLLLGPPGTGKTSVARAFTKQLCGLTVLRKPLVVETSRTKLLGRYMADAEKNTEEMLEGA---LGGAVFFDEMHTLHEKGYSQGDPYGNAIINTLLLYMENHR----DELVVFGAGYAKAMEKMLEVNQGLRRRFSTVIEFFSYTPQELIALTQ-LMGRENEDVITEEESQV--LLPSYTKFYMEQSYSED--------GDLIRGIDLLG-NAGFVRNVVEKARDHRSFRLDDEDLDAVLASDLTEFSEDQLRRFKELTREDLAEGLRAAVAEKKTK |
4L16 Chain:A ((60-321)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GLEGAKKALREI---VVLPFKRPDVFTGIRAPPKGVLLFGPPGTGKTMIGRCVASQ-CKATFF------NISASSLTSKWVGEGEKLVRALFSVARLKLPSVIFIDEIDSLLS-------ESSRRIKTEFLVQLDGVNTAPDERLLVLG-----ATNRPQELDEAARRRFQKRLYIALPEPESRTQIVQNLLVGTRHDITNHNLERIRELTDGYSGADMRQLCTEAAMGPIRDIGDDIETIDKDDIRAVTVMDFAEAARVVRP-TVDDSQLDAYAAWD---------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4L16.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -69553 for 1809 contacts (-38.4/contact) +
2D Compatibility (PS) -25743 + (NN) -7491 + (LL) 29144
1D Compatibility (HY) -11200 + (ID) 3450
Total energy: -88293.0 ( -48.81 by residue)
QMean score : 0.411
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