Job name:

3S9S chain A

31c65e8b-8df7-4d4e-bc61-ac915d61597a
Finished
Electron density map:

Differential EDM:
Models Number of gaps:2 Gap lengths: 7, 5
Model Entanglement Average DOPE-HR (by gap length)
DOPE-HR 1st gap2nd gap
Model 1 Unknot -36974
Model 2 Err -36662
Model 3 Err -36804
Model 4 Err -36498
Model 5 Err -36618
Reload
Warning: All models are renumbered - the first residue in the structure has index 1.
Mix & match
None of the models is perfect? By clicking the button below you can download a .pdb file with the currently shown mix of models - for each gap at most one model can be selected. If none of them is checked, the gap will be left as is. Fourth and further gaps (sorted by size) can only come from one of the models.
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


3ADW

A

Unknot

98.18%

200.00%

200.00%

0.71

..Target: -----SADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDL
Template: QLNPESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDL

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

HITPLQEQSKEVA

3ADW A Unknot 100.00% 100.00%

HITPLQEQSKEVA

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

LTGKTTDKSPF

3ADW A Unknot 100.00% 100.00%

LTGKTTDKSPF


Tue Jun 25 15:21:51 2019	JOB CREATED : 31c65e8b-8df7-4d4e-bc61-ac915d61597a
Tue Jun 25 15:22:02 2019	STATUS CHANGED : N -> R
Tue Jun 25 15:22:02 2019	INFO : JOB STARTED AT: 2019-06-25 15:22:02.483284
Tue Jun 25 15:22:02 2019	INFO : METHOD: 1
Tue Jun 25 15:22:02 2019	INFO : Building Profile...
Tue Jun 25 15:22:02 2019	INFO : --E-value set to 0.001--
Tue Jun 25 15:31:28 2019	INFO : Homologue pool found...
Tue Jun 25 15:31:28 2019	INFO : Verifying structure sequences of homologues...
Tue Jun 25 16:36:25 2019	INFO : Starting homologue filtering...
Tue Jun 25 16:38:34 2019	INFO : Getting structures from PDB...
Tue Jun 25 16:38:37 2019	INFO : Creating modelling alignment...
Tue Jun 25 16:38:37 2019	INFO : Modelling...
Tue Jun 25 16:42:48 2019	INFO : Model 1 built
Tue Jun 25 16:42:48 2019	INFO : Validating Calpha distances...
Tue Jun 25 16:42:48 2019	INFO : Model 1 distances correct: True
Tue Jun 25 16:42:48 2019	INFO : Modelling...
Tue Jun 25 16:49:34 2019	INFO : Model 2 built
Tue Jun 25 16:49:34 2019	INFO : Validating Calpha distances...
Tue Jun 25 16:49:34 2019	INFO : Model 2 distances correct: True
Tue Jun 25 16:49:34 2019	INFO : Modelling...
Tue Jun 25 16:53:39 2019	INFO : Model 3 built
Tue Jun 25 16:53:39 2019	INFO : Validating Calpha distances...
Tue Jun 25 16:53:39 2019	INFO : Model 3 distances correct: True
Tue Jun 25 16:53:39 2019	INFO : Modelling...
Tue Jun 25 16:57:52 2019	INFO : Model 4 built
Tue Jun 25 16:57:52 2019	INFO : Validating Calpha distances...
Tue Jun 25 16:57:52 2019	INFO : Model 4 distances correct: True
Tue Jun 25 16:57:52 2019	INFO : Modelling...
Tue Jun 25 17:01:53 2019	INFO : Model 5 built
Tue Jun 25 17:01:53 2019	INFO : Validating Calpha distances...
Tue Jun 25 17:01:53 2019	INFO : Model 5 distances correct: True
Tue Jun 25 17:02:11 2019	INFO : Finished modelling
Tue Jun 25 17:02:11 2019	STATUS CHANGED : R -> P
Tue Jun 25 17:02:17 2019	INFO : Finished edm surfaces: success
Tue Jun 25 17:02:17 2019	INFO : Checking topology...
Tue Jun 25 17:02:18 2019	INFO : Knot matrices done...
Tue Jun 25 17:02:18 2019	INFO : No knots found...
Tue Jun 25 17:02:18 2019	INFO : No lassos found...
Tue Jun 25 17:02:18 2019	INFO : Finishing...
Tue Jun 25 17:02:18 2019	INFO : Job done
Tue Jun 25 17:02:18 2019	STATUS CHANGED : P -> F
Tue Jun 25 17:02:18 2019	STATUS CHANGED : F -> F

GapRepairer | Interdisciplinary Laboratory of Biological Systems Modelling