Job name:

4DEI chain A

a840602e-43f6-42f4-8c9c-f65d7d2e1a93
Finished
Electron density map:

Differential EDM:
Models Number of gaps:2 Gap lengths: 5, 4
Model Entanglement Average DOPE-HR (by gap length)
DOPE-HR 1st gap2nd gap
Model 1 Unknot -37087
Model 2 Unknot -37268
Model 3 Unknot -37223
Model 4 Unknot -36873
Model 5 Unknot -37276
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


3C1X

A

Unknot

93.79%

200.00%

200.00%

0.83

..Target: ---IDLSALNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLDNDGKKIHCAVKSLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLRSEGSPLVVLPYMKHGDLRNFIRNETHNPTVKDLIGFGLQVAKGMKYLASKKFVHRDLAARNCMLDEKFTVKVADFGLARDMYDKEYYSVHNKTGAKLPVKWMALESLQTQKFTTKSDVWSFGVLLWELMTRGAPPYPDVNTFDITVYLLQGRRLLQPEYCPDPLYEVMLKCWHPKAEMRPSFSELVSRISAIFSTFIG--------------
Template: TVHIDLSALNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLDNDGKKIHCAVKSLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLRSEGSPLVVLPYMKHGDLRNFIRNETHNPTVKDLIGFGLQVAKGMKFLASKKFVHRDLAARNCMLDEKFTVKVADF---------------------LPVKWMALESLQTQKFTTKSDVWSFGVLLWELMTRGAPPYPDVNTFDITVYLLQGRRLLQPEYCPDPLYEVMLKCWHPKAEMRPSFSELVSRISAIFSTFIGEHYVHVNATYVNVK

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

LLDNDGKKIHC

3C1X A Unknot 100.00% 100.00%

LLDNDGKKIHC

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

LNRITDIGEV

3C1X A Unknot 100.00% 100.00%

LNRITDIGEV


Fri Feb  7 09:34:08 2020	JOB CREATED : a840602e-43f6-42f4-8c9c-f65d7d2e1a93
Fri Feb  7 09:35:02 2020	STATUS CHANGED : N -> R
Fri Feb  7 09:35:02 2020	INFO : JOB STARTED AT: 2020-02-07 09:35:02.036714
Fri Feb  7 09:35:02 2020	INFO : METHOD: 2
Fri Feb  7 09:35:02 2020	INFO : Building Profile...
Fri Feb  7 09:35:02 2020	INFO : --E-value set to 0.001--
Fri Feb  7 09:51:01 2020	INFO : Homologue pool found...
Fri Feb  7 09:51:01 2020	INFO : Verifying structure sequences of homologues...
Fri Feb  7 12:34:51 2020	INFO : Starting homologue filtering...
Fri Feb  7 12:35:15 2020	INFO : Getting structures from PDB...
Fri Feb  7 12:35:18 2020	INFO : Creating modelling alignment...
Fri Feb  7 12:35:18 2020	INFO : Modelling...
Fri Feb  7 12:38:19 2020	INFO : Model 1 built
Fri Feb  7 12:38:19 2020	INFO : Validating Calpha distances...
Fri Feb  7 12:38:19 2020	INFO : Model 1 distances correct: True
Fri Feb  7 12:38:19 2020	INFO : Modelling...
Fri Feb  7 12:40:20 2020	INFO : Model 2 built
Fri Feb  7 12:40:20 2020	INFO : Validating Calpha distances...
Fri Feb  7 12:40:20 2020	INFO : Model 2 distances correct: True
Fri Feb  7 12:40:20 2020	INFO : Modelling...
Fri Feb  7 12:42:15 2020	INFO : Model 3 built
Fri Feb  7 12:42:15 2020	INFO : Validating Calpha distances...
Fri Feb  7 12:42:15 2020	INFO : Model 3 distances correct: True
Fri Feb  7 12:42:15 2020	INFO : Modelling...
Fri Feb  7 12:44:08 2020	INFO : Model 4 built
Fri Feb  7 12:44:08 2020	INFO : Validating Calpha distances...
Fri Feb  7 12:44:08 2020	INFO : Model 4 distances correct: True
Fri Feb  7 12:44:08 2020	INFO : Modelling...
Fri Feb  7 12:46:51 2020	INFO : Model 5 built
Fri Feb  7 12:46:51 2020	INFO : Validating Calpha distances...
Fri Feb  7 12:46:51 2020	INFO : Model 5 distances correct: True
Fri Feb  7 12:47:10 2020	INFO : Finished modelling
Fri Feb  7 12:47:10 2020	STATUS CHANGED : R -> P
Fri Feb  7 12:47:21 2020	INFO : Finished edm surfaces: success
Fri Feb  7 12:47:21 2020	INFO : Checking topology...
Fri Feb  7 12:47:52 2020	INFO : Knot matrices done...
Fri Feb  7 12:47:52 2020	INFO : No knots found...
Fri Feb  7 12:47:52 2020	INFO : No lassos found...
Fri Feb  7 12:47:52 2020	INFO : Finishing...
Fri Feb  7 12:47:53 2020	INFO : Job done
Fri Feb  7 12:47:53 2020	STATUS CHANGED : P -> F
Fri Feb  7 12:47:53 2020	STATUS CHANGED : F -> F

GapRepairer | Interdisciplinary Laboratory of Biological Systems Modelling