Job name:

1NDE chain A

fef52860-c318-4685-83b4-ea9fd14bcc8d
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 Err -26209
Model 2 Err -26560
Model 3 Unknot -26336
Model 4 Err -26406
Model 5 Err -26302
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


3OLL

A

Unknot

99.57%

200.00%

200.00%

0.92

..Target: DALSPEQLVLTLLEAEPPHVLISRPSAPFTEASMMMSLTKLADKELVHMISWAKKIPGFVELSLFDQVRLLESCWMEVLMMGLMWRSIDHPGKLIFAPDLVLDRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSMYPLVTATQDADSSRKLAHLLNAVTDALVWVIAKSGISSQQQSMRLANLLMLLSHVRHASNKGMEHLLNMKCKNVVPVYDLLLEMLNAHVL
Template: -ALSPEQLVLTLLEAEPPHVLISRPSAPFTEASMMMSLTKLADKELVHMISWAKKIPGFVELSLFDQVRLLESCWMEVLMMGLMWRSIDHPGKLIFAPDLVLDRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSMYPLVTAT--ADSSRKLAHLLNAVTDALVWVIAKSGISSQQQSMRLANLLMLLSHVRHASNKGMEHLLNMKCKNVVPVXDLLLEMLNAH--

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

SMYPLVTATQD

3OLL A Unknot 100.00% 100.00%

SMYPLVTAT--

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

KCKNVVPVYD

3OLL A Unknot 100.00% 100.00%

KCKNVVPVXD


Sat Jun 30 15:05:23 2018	JOB CREATED : fef52860-c318-4685-83b4-ea9fd14bcc8d
Sat Jun 30 15:06:02 2018	STATUS CHANGED : N -> R
Sat Jun 30 15:06:02 2018	INFO : JOB STARTED AT: 2018-06-30 15:06:02.169303
Sat Jun 30 15:06:02 2018	INFO : METHOD: 1
Sat Jun 30 15:06:02 2018	INFO : Building Profile...
Sat Jun 30 15:06:02 2018	INFO : --E-value set to 0.001--
Sat Jun 30 15:18:46 2018	INFO : Homologue pool found...
Sat Jun 30 15:18:46 2018	INFO : Verifying structure sequences of homologues...
Sat Jun 30 16:00:48 2018	INFO : Starting homologue filtering...
Sat Jun 30 16:01:39 2018	INFO : Getting structures from PDB...
Sat Jun 30 16:01:43 2018	INFO : Creating modelling alignment...
Sat Jun 30 16:01:43 2018	INFO : Modelling...
Sat Jun 30 16:04:40 2018	INFO : Model 1 built
Sat Jun 30 16:04:40 2018	INFO : Validating Calpha distances...
Sat Jun 30 16:04:40 2018	INFO : Model 1 distances correct: True
Sat Jun 30 16:04:40 2018	INFO : Modelling...
Sat Jun 30 16:09:38 2018	INFO : Model 2 built
Sat Jun 30 16:09:38 2018	INFO : Validating Calpha distances...
Sat Jun 30 16:09:38 2018	INFO : Model 2 distances correct: True
Sat Jun 30 16:09:38 2018	INFO : Modelling...
Sat Jun 30 16:14:25 2018	INFO : Model 3 built
Sat Jun 30 16:14:25 2018	INFO : Validating Calpha distances...
Sat Jun 30 16:14:25 2018	INFO : Model 3 distances correct: True
Sat Jun 30 16:14:25 2018	INFO : Modelling...
Sat Jun 30 16:17:19 2018	INFO : Model 4 built
Sat Jun 30 16:17:19 2018	INFO : Validating Calpha distances...
Sat Jun 30 16:17:19 2018	INFO : Model 4 distances correct: True
Sat Jun 30 16:17:19 2018	INFO : Modelling...
Sat Jun 30 16:20:24 2018	INFO : Model 5 built
Sat Jun 30 16:20:24 2018	INFO : Validating Calpha distances...
Sat Jun 30 16:20:24 2018	INFO : Model 5 distances correct: True
Sat Jun 30 16:20:41 2018	INFO : Finished modelling
Sat Jun 30 16:20:41 2018	STATUS CHANGED : R -> P
Sat Jun 30 16:20:47 2018	INFO : Finished edm surfaces: success
Sat Jun 30 16:20:47 2018	INFO : Checking topology...
Sat Jun 30 16:20:48 2018	INFO : Knot matrices done...
Sat Jun 30 16:20:48 2018	INFO : No knots found...
Sat Jun 30 16:20:48 2018	INFO : No lassos found...
Sat Jun 30 16:20:48 2018	INFO : Finishing...
Sat Jun 30 16:20:49 2018	INFO : Job done
Sat Jun 30 16:20:49 2018	STATUS CHANGED : P -> F
Sat Jun 30 16:20:49 2018	STATUS CHANGED : F -> F

GapRepairer | Interdisciplinary Laboratory of Biological Systems Modelling