Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGDLSISQVSARPGRIGIRARQMFDGYRFQRGPVLVVVEDGRISAVDFAGSACPDMNLVDLGESTLLPGLVDAHAHLCWDPDGR---PEDLAGDPHAVLVGRARRHAAAALRSGITTIRDLGDRDYAALALREEYRQKTTVGPELVVSGPPLTRSGGHCWFLGG--------------VADSVEELVDAVQERAARGADWIKVMATGGFVTTASDPWQPQYGSGQLAAVVAAAEQVGLPVTAHAHATAGIAAAVAAGVDGIEHCTFLS--------EGSAAASPDVVEAIVAQGVWCGMTIPRVYPEMPENLVAVVQDGWRN-IRRLIDAGARVALSTDAGVAPGRRHDVLPDDLVYLSRHGFTSTEVLTGATAAAAASCGLGHRKGRIAPGYDADLLAVAAGVDHDPAGLCDVKAVWRSGTQVPLQASAVGYNTPS |
2QS8 Chain:A ((34-407)) | -------------------------------GNIISDIKKGFISSNDFE-------DYIDLRDHTVLPGLMDMHVHFGQEYQSKAQAPIKVEREMQAIL---ATQHAYVTFKSGFTTVRQVGDSGLVAISLRDAINSGKLAGPRIFAAGKTIATTGGHADPTNGKAVDDYDYPVPEQGVVNGPYEVYAAVRQRYKDGADGIKITVTGGVLSVAKSGQNPQFTQEEVDAVVSAAKDYGMWVAVHAHGAEGMKRAIKAGVDSIEHGTFMDLEAMDLMIENGTYYVPTIS---AGEFVAEKSKIDNFFPEIVRPKAASVGPQISDTFRKAYEKGVKIAFGTDAGV---QKHGTNWKEFVYMVENGMPAMKAIQSATMETAKLLRIEDKLGSIESGKLADLIAVKGNPIEDISVLENVDVVIKDG---------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2QS8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -179628 for 3129 contacts (-57.4/contact) +
2D Compatibility (PS) -37544 + (NN) -15189 + (LL) 3028
1D Compatibility (HY) -18400 + (ID) 5600
Total energy: -253333.0 ( -80.96 by residue)
QMean score : 0.446
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