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Status: Done started: 2020-Jan-03 02:13:45 UTC
Project NameModeloEstructuraProteínaHumana
SequenceMLWWEEVEDCYEREDVQKKTFTKWVNAQFSKFGKQHIENLFSDLQDGRRLLDLLEGLTGQKLPKEKGSTRVHALNNVNKA LRVLQNNNVDLVNIGSTDIVDGNHKLTLGLIWNIILHWQVKNVMKNIMAGLQQTNSEKILLSWVRQSTRNYPQVNVINFT TSWSDGLALNALIHSHRPDLFDWNSVVCQQSATQRLEHAFNIARYQLGIEKLLDPEDVDTTYPDKKSILMYITSLFQVLP QQVSIEAIQEVEMLPRPPKVTKEEHFQLHHQMHYSQQITVSLAQGYERTSSPKPRFKSYAYTQAAYVTTSDPTRSPFPSQ HLEAPEDKSFGSSLMESEVNLDRYQTALEEVLSWLLSAEDTLQAQGEISNDVEVVKDQFHTHEGYMMDLTAHQGRVGNIL QLGSKLIGTGKLSEDEETEVQEQMNLLNSRWECLRVASMEKQSNLHRVLMDLQNQKLKELNDWLTKTEERTRKMEEEPLG PDLEDLKRQVQQHKVLQEDLEQEQVRVNSLTHMVVVVDESSGDHATAALEEQLKVLGDRWANICRWTEDRWVLLQDILLK WQRLTEEQCLFSAWLSEKEDAVNKIHTTGFKDQNEMLSSLQKLAVLKADLEKKKQSMGKLYSLKQDLLSTLKNKSVTQKT EAWLDNFARCWDNLVQKLEKSTAQISQAVTTTQPSLTQTTVMETVTTVTTREQILVKHAQEELPPPPPQKKRQITVDSEI RKRLDVDITELHSWITRSEAVLQSPEFAIFRKEGNFSDLKEKVNAIEREKAEKFRKLQDASRSAQALVEQMVNEGVNADS IKQASEQLNSRWIEFCQLLSERLNWLEYQNNIIAFYNQLQQLEQMTTTAENWLKIQPTTPSEPTAIKSQLKICKDEVNRL SGLQ
Secondary structure

CCCHHHCCCHHHHHHHHHHHHHHHHHHHHHHCCCCCHHHHHHHCHHHHHHHHHHHHHHCCCCCCCCCCCCCHHHHHHHHH HHHHHCCCEEEEECCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCHHHHHHHHHHHHCCCCCCCCCCCCC CCCCHHHHHHHHHHHHCCCCCCHHHHHHHHCHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHCC CCHHHHHHHHHHHCCCCCCCCCCHHHHHCCCCCCHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC CCCCCCCCCCCCCCCHHCCCHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHH HHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCC CCHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCEEEEECCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH HHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHH HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCEEEEEEEEEEEEECHHHHHHCCCCCCCCCCCCCCCCCCCCHHH HHHHHHHHHHHHHHHHHHHHHHCCCHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCHHH HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCHHHHHHHHHHHHHHHHHH CCCC

Simulation (CABS) temperature3.5 - 1.0
Estimated finish time2020-Jan-03 15:08 UTC

Time evolution of structural features: CABS energy, End-to-end distance and Radius of gyration.

Cluster #12345678910
Cluster density26.113.97.44.23.22.92.01.91.81.3
Cluster size12262444023153241413
Average cluster RMSD4.74.56.09.47.15.21.512.97.910.3

Clustering of protein models is the task of separating a set of protein models (here a protein dynamics trajectory) into groups (called clusters). The clustering is done in such a way that models are more similar in the same group to each other (here in the sense of RMSD measure), than those in other groups (clusters). CABSfold utilizes classical K-means clustering method.
After clustering is done, each cluster representative is chosen (always the model which average dissimilarity to all models in a cluster is minimal). Predicted protein models, presented in the Predicted structures tab, are each cluster representatives (the clusters and the corresponding models are marked by the same numbers, e.g. Model 1 represents Cluster 1).
The clusters are numbered/ranked according to cluster density values, from the most dense (numbered as a first) to the least dense one.

#12345678910
1 0.00 34.20 52.50 47.20 50.10 51.40 43.90 48.00 57.00 48.30
2 34.20 0.00 47.90 46.40 41.00 41.10 49.50 45.90 49.30 48.50
3 52.50 47.90 0.00 40.90 48.40 39.20 57.10 52.60 54.70 53.60
4 47.20 46.40 40.90 0.00 47.90 47.30 59.20 55.10 61.00 46.80
5 50.10 41.00 48.40 47.90 0.00 40.90 50.30 32.90 55.70 45.10
6 51.40 41.10 39.20 47.30 40.90 0.00 53.30 46.60 51.80 55.60
7 43.90 49.50 57.10 59.20 50.30 53.30 0.00 44.10 38.90 55.50
8 48.00 45.90 52.60 55.10 32.90 46.60 44.10 0.00 46.20 47.30
9 57.00 49.30 54.70 61.00 55.70 51.80 38.90 46.20 0.00 57.90
10 48.30 48.50 53.60 46.80 45.10 55.60 55.50 47.30 57.90 0.00

The table contains RMSD values (calculated on the Cα atoms) between the predicted models.
Read more about the root-mean-square deviation (RMSD) measure.

#12345678910
1 1.00 0.08 0.06 0.05 0.08 0.07 0.08 0.06 0.06 0.06
2 0.08 1.00 0.06 0.06 0.06 0.06 0.07 0.06 0.07 0.07
3 0.06 0.06 1.00 0.05 0.07 0.06 0.05 0.07 0.08 0.06
4 0.05 0.06 0.05 1.00 0.07 0.06 0.05 0.05 0.07 0.05
5 0.08 0.06 0.07 0.07 1.00 0.07 0.06 0.06 0.07 0.06
6 0.07 0.06 0.06 0.06 0.07 1.00 0.06 0.06 0.06 0.06
7 0.08 0.07 0.05 0.05 0.06 0.06 1.00 0.06 0.05 0.07
8 0.06 0.06 0.07 0.05 0.06 0.06 0.06 1.00 0.07 0.06
9 0.06 0.07 0.08 0.07 0.07 0.06 0.05 0.07 1.00 0.06
10 0.06 0.07 0.06 0.05 0.06 0.06 0.07 0.06 0.06 1.00

The table contains GDT_TS values (calculated on the Cα atoms) between the predicted models.
Read more about the global distance test (GDT, also written as GDT_TS to represent "total score") measure.


 

© Laboratory of Theory of Biopolymers 2013