Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MILLQVQQISKFFGAEVILDNIKLEVKTGDRIALVGRNGAGKSTLLKIIAGKMSYDGGTISKPKSVEIGYLAQNTGLESSKTIWDEMLSVFDSLRKMEADLRKMELRLGEPELYNDPEKYQALMTDYDTLQHTFKESGGYTYEAEIRSVLNGLRFYPEDYEVEIASLSGGQKTRLALAKLLLAKQDILVLDEPTNHLDIETLAWLETYLQNYHGSLLIVSHDRYFLDKVVNQVYEISRTKIDYYKGNYSSFVNQKQAKLEQMWKEFDKQQKQIAKLEDFVARNIVRASTTKRAQSRRKQLEKMDVLGRPQGDEKAAHFGFQFEKQTGKDVLMVDQLSIGYAKDKRIASNLTFEMKRQDSLALVGPNGIGKSTLLKTLIRDIPALSGEFHFGAGVKIGYYDQEQAKLTSNKTVLMELWDDYPELNEVNVRTTLGNFLFSDDDVLKNVQSLSGGEKARLALAKLTLLEANVLILDEPTNHLDIESKEVLEAALIDFEGTILFVSHDRYFINRIASKIVELAPEKATVFLGDYDYYQEKLAEEKELARLDAEDRRKKGEQVEATASVRKLNYQEEKEQQKLLRQRKRKLEEIEKSMEETDEKIAELELQLTNPEVFQDHEKALEITQELDAVKADGEKLMEEWEQISEELESI |
2IW3 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: 2IW3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -111921 for 2152 contacts (-52.0/contact) +
2D Compatibility (PS) -32059 + (NN) -5058 + (LL) 27796
1D Compatibility (HY) -24400 + (ID) 5200
Total energy: -150842.0 ( -70.09 by residue)
QMean score : 0.397
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