Job name:

4XUH chain A

7eb05464-2018-4026-8f15-448e7a9287f5
Finished
Electron density map:

Differential EDM:
Models Number of gaps:1 Gap lengths: 8
Model Entanglement Average DOPE-HR (by gap length)
DOPE-HR 1st gap
Model 1 Unknot -38805
Model 2 Unknot -38704
Model 3 Unknot -38689
Model 4 Unknot -38569
Model 5 Unknot -38630
Reload
Warning: All models are renumbered - the first residue in the structure has index 1.
Mix & match
Provided protein had only one gap - thus there are no gap-filling combinations to be made.

Pro Tip: Since you provided a structure that contains some crystallographic information you can verify our models using the wwPDB service.
Validity report for the RCSB PDB structure you were repairing can be accessed here
DOPE (Discrete Optimized Protein Energy) score per residue. The lower the score, the better.
Since DOPE is calculated against the neighbours of a given amino acid, the scores
can vary between unmoved segments of different models. See here for more information.
PDB
code
Chain Entanglement
type
Seq
identity
Total gap
coverage
Total gap
identity
RMSD [Å] Pairwise alignment to the target: gap


3ADU

B

Unknot

100.00%

100.00%

100.00%

0.78

..Target: ESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
Template: ESADLRALAKHLYDSYIKSFPLTKAKARAILTG----KSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTET--SLHPLLQEI----Y

PDB
code
Chain Knot
type
Gap
coverage
Gap
identity
>Target_Sequence: gap

FKHITPLQEQSKEV

3ADU B Unknot 100.00% 100.00%

FKHITPLQEQSKEV


Wed Feb  6 19:52:39 2019	JOB CREATED : 7eb05464-2018-4026-8f15-448e7a9287f5
Wed Feb  6 19:53:02 2019	STATUS CHANGED : N -> R
Wed Feb  6 19:53:02 2019	INFO : JOB STARTED AT: 2019-02-06 19:53:02.228594
Wed Feb  6 19:53:02 2019	INFO : METHOD: 1
Wed Feb  6 19:53:02 2019	INFO : Building Profile...
Wed Feb  6 19:53:02 2019	INFO : --E-value set to 0.001--
Wed Feb  6 20:02:00 2019	INFO : Homologue pool found...
Wed Feb  6 20:02:00 2019	INFO : Verifying structure sequences of homologues...
Wed Feb  6 21:11:06 2019	INFO : Starting homologue filtering...
Wed Feb  6 21:12:32 2019	INFO : Getting structures from PDB...
Wed Feb  6 21:12:36 2019	INFO : Creating modelling alignment...
Wed Feb  6 21:12:36 2019	INFO : Modelling...
Wed Feb  6 21:16:00 2019	INFO : Model 1 built
Wed Feb  6 21:16:00 2019	INFO : Validating Calpha distances...
Wed Feb  6 21:16:00 2019	INFO : Model 1 distances correct: True
Wed Feb  6 21:16:00 2019	INFO : Modelling...
Wed Feb  6 21:19:20 2019	INFO : Model 2 built
Wed Feb  6 21:19:20 2019	INFO : Validating Calpha distances...
Wed Feb  6 21:19:20 2019	INFO : Model 2 distances correct: True
Wed Feb  6 21:19:20 2019	INFO : Modelling...
Wed Feb  6 21:25:06 2019	INFO : Model 3 built
Wed Feb  6 21:25:06 2019	INFO : Validating Calpha distances...
Wed Feb  6 21:25:06 2019	INFO : Model 3 distances correct: True
Wed Feb  6 21:25:06 2019	INFO : Modelling...
Wed Feb  6 21:28:27 2019	INFO : Model 4 built
Wed Feb  6 21:28:27 2019	INFO : Validating Calpha distances...
Wed Feb  6 21:28:27 2019	INFO : Model 4 distances correct: True
Wed Feb  6 21:28:27 2019	INFO : Modelling...
Wed Feb  6 21:34:04 2019	INFO : Model 5 built
Wed Feb  6 21:34:04 2019	INFO : Validating Calpha distances...
Wed Feb  6 21:34:04 2019	INFO : Model 5 distances correct: True
Wed Feb  6 21:34:22 2019	INFO : Finished modelling
Wed Feb  6 21:34:22 2019	STATUS CHANGED : R -> P
Wed Feb  6 21:34:32 2019	INFO : Finished edm surfaces: success
Wed Feb  6 21:34:32 2019	INFO : Checking topology...
Wed Feb  6 21:35:04 2019	INFO : Knot matrices done...
Wed Feb  6 21:35:04 2019	INFO : No knots found...
Wed Feb  6 21:35:04 2019	INFO : No lassos found...
Wed Feb  6 21:35:04 2019	INFO : Finishing...
Wed Feb  6 21:35:05 2019	INFO : Job done
Wed Feb  6 21:35:05 2019	STATUS CHANGED : P -> F
Wed Feb  6 21:35:05 2019	STATUS CHANGED : F -> F

GapRepairer | Interdisciplinary Laboratory of Biological Systems Modelling