Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MLETSSHFLKSFRLKRYIGFLLISLALLITPFVRIDGAHLFLISFEHKQLHFLGKIFSAEELQILPFMVILLFIGIFFITTSLGRVWCGWACPQTFLRVLYRDVIETKIFKLHKKISNKQESPKNTPSYKIRKALSVLLFAPVVAGLMMLFFFYFIAPEDFFMYLKNPSDHPIAMGFWLFSALVVLFDIVVVAERFCIYLCPYARVQSVLYDNDTLNPIYDEKRGGVLYDNQGRLFPLPPKKRSAENECVNCLHCVQVCPTH-IDIRK-------------------------------GLQLECINCLECVDACTI--TMAKYNRPSLIQWSSTNAINTRQKVRLVRLKTIAYMGVIAVVVALLIITSFKKERMLLDINRNSDLYEIRSSGYVDNDYVFLFHNTDNKDHEFYFKILGQKDIQIKKPLNPIAIKAGQKIKAVVILRKPLKGNATEYKHAKDALIPITIQAYSVDDKNITIERESVFIVPSED |
| 2C42 Chain:A ((682-764)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QWVPENCIQCNQCAFVCPHSAILPVLAKEEELVGAPANFTALEAKGKELKGYKFRIQINTLDCMGCGNCADICPPKEKALVMQPLDTQRDAQVPNLEYAARIPVKSEVLPRDSLKGSQFQEPLMEFSGACSGCGETPYVRVITQLFGERMFIANATGCSSIWGASAPSMPYKTNRLGQGPAWGNSLFEDAAEYGFGMNMSMFARRTHLADLAAKALESDASGDVKEALQGWLAGKNDPIKSKEYGDKLKK |
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General information:
TITO was launched using:
| RESULT:
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Template: 2C42.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -26180 for 275 contacts (-95.2/contact) +
2D Compatibility (PS) -4649 + (NN) 2235 + (LL) 20384
1D Compatibility (HY) -2400 + (ID) 650
Total energy: -11260.0 ( -40.95 by residue)
QMean score : 0.529
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