Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MILLQVQQISKFFGAEVILDNIKLEVKTGDRIALVGRNGAGKSTLLKIIAGKMSYDGGTISKPKSVEIGYLAQNTGLESSKTIWDEMLSVFDSLRKMEADLRKMELRLGEPELYNDPEKYQALMTDYDTLQHTFKESGGYTYEAEIRSVLNGLRFYPEDYEVEIASLSGGQKTRLALAKLLLAKQDILVLDEPTNHLDIETLAWLETYLQNYHGSLLIVSHDRYFLDKVVNQVYEISRTKIDYYKGNYSSFVNQKQAKLEQMWKEFDKQQKQIAKLEDFVARNIVRASTTKRAQSRRKQLEKMDVLGRPQGDEKAAHFGFQFEKQTGKDVLMVDQLSIGYAKDKRIASNLTFEMKRQDSLALVGPNGIGKSTLLKTLIRDIPALSGEFHFGAGVKIGYYDQEQAKLTSNKTVLMELWDDYPELNEVNVRTTLGNFLFSDDDVLKNVQSLSGGEKARLALAKLTLLEANVLILDEPTNHLDIESKEVLEAALIDFEGTILFVSHDRYFINRIASKIVELAPEKATVFLGDYDYYQEKLAEEKELARLDAEDRRKKGEQVEATASVRKLNYQEEKEQQKLLRQRKRKLEEIEKSMEETDEKIAELELQLTNPEVFQDHEKALEITQELDAVKADGEKLMEEWEQISEELESI |
| 2IWH Chain:A ((440-744)) | -------EFSLAYGAKILLNKTQLRLKRARRYGICGPNGCGKSTLMRAIAN------GQVD-------GFPTQ----EECRTVY------------VEHDI-------------------DGTHSDTSVLDFVF-ESGVGTKEA-IKDKLIEFGFTDEMIAMPISALSGGWKMKLALARAVLRNADILLLDEPTNHLDTVNVAWLVNYLNTCGITSITISHDSVFLDNVCEYIINYEGLKLRKYKGNFTEFV--KKCPAAKAYEELSNTDLEFKFPEPGYLEGV---------KTKQKAIVKV------------TNMEFQYPGTSKPQI-----------------TDINFQCSLSSRIAVIGPNGAGKSTLINVLTGELLPTSGEVYTHENCRIAYIKQH-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IWH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -115951 for 2149 contacts (-54.0/contact) +
2D Compatibility (PS) -32272 + (NN) -5931 + (LL) 27796
1D Compatibility (HY) -24400 + (ID) 5200
Total energy: -155958.0 ( -72.57 by residue)
QMean score : 0.402
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