Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQWETVIGLEIHAQLATQSKIFSGSSTAFGAAPNTQASLVDLAMPGTLPVLNEEAVRMACLFGLAIDARIDRQNVFARKNYFYPDLPKGYQTSQMDHPIVGKGHLDITLEDGTTKRIGITRAHLEEDAGKSLHEDFQGMSGIDLNRAGTPLLEIVSEPDIRSAKEAVAYVKAIHALVRYLGICDGNMAEGSLRCDCNVSVRPKGQAEFGTRAEIKNVNSFRFIEKAINHEIQRQIELIEDGGKVVQETRLYDPNKDETRSMRGKEEANDYRYFPCPDLLPVVIEPEYLAKLREQLPELPVQKRERFESQYGLSAYDASVLSASREMADYFEKVQGICGDAKLAANWVMVELGSLLNKDGLEIEQSPVSAEQLGGMILRIKDNTISGKLAKMVFEAMANGEGSADQIIEAKGLKQVTDSGAIEKMLDEVLAANAEQVEQYRAADEAKRGKMFGFFVGQAMKASKGKANPQQVNELLKKKLEA |
4WJ3 Chain:B ((3-297)) | --WETVIGLEIHAQLATQSKIFSGSSTAFGAAPNTQASLVDLAMPGTLPVLNEEAVRMACLFGLAIDARIDRQNVFARKNYFYPDLPKGYQTSQMDHPIVGKGHLDITLEDGTTKRIGITRAHLEEDAGKSLHED--GMSGIDLNRAGTPLLEIVSEPDIRSAKEAVAYVKAIHALVRYLGICDGNMAEGSLRCDCNVSVRPKGQAEFGTRAEIKNVNSFRFIEKAINHEIQRQIELIEDGGKVVQETRLYDPNKDETRSMRGKEEANDYRYFPCPDLLPVVIEPEYLAKLREQLPELPVQKRERFESQYGLSAYDASVLSASREMADYFEKVQGICGDAKLAANWVMVELGSLLNKDGLEIEQSPVSAEQLGGMILRIKDNTISGKLAKMVFEAMANGEGSA------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4WJ3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -136024 for 2249 contacts (-60.5/contact) +
2D Compatibility (PS) -31756 + (NN) -16084 + (LL) 6068
1D Compatibility (HY) -37600 + (ID) 14650
Total energy: -230046.0 ( -102.29 by residue)
QMean score : 0.488
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