Job name:

1U3S chain A

cdd12a3b-c7f9-458f-91ad-b8c3e4d35167
Finished
Models Number of gaps:1 Gap lengths: 9
Model Entanglement Average DOPE-HR (by gap length)
DOPE-HR 1st gap
Model 1 Unknot -31080
Model 2 Unknot -31014
Model 3 Unknot -30998
Model 4 Unknot -30933
Model 5 Unknot -30903
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


1L2J

B

Unknot

95.52%

88.89%

88.89%

0.84

..Target: --------LSPEQLVLTLLEAEPPHVLISRPSAPFTEASMMMSLTKLADKELVHMISWAKKIPGFVELSLFDQVRLLESCWMEVLMMGLMWRSIDHPGKLIFAPDLVLDRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSMYPLVTATQDADSSRKLAHLLNAVTDALVWVIAKSGISSQQQSMRLANLLMLLSHVRHASNKGMEHLLNMKCKNVVPVYDLLLEMLNA
Template: MRELLLDALSPEQLVLTLLEAEPPHVM-------------MMSLTKLADKELVHMISWAKKIPGFVELSLFDQVRLLESCWMEVLMMGLMWRSIDHPGKLIFAPDLVLDRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSM--LVTATQDADSSRKLAHLLNAVTDALVWVIAKSGISSQQQSMRLANLLMLLSHVRHASNKGMEHLLNM-V----PVYDLLLEMLNA


3OLL

A

Unknot

98.72%

77.78%

77.78%

0.95

..Target: -LSPEQLVLTLLEAEPPHVLISRPSAPFTEASMMMSLTKLADKELVHMISWAKKIPGFVELSLFDQVRLLESCWMEVLMMGLMWRSIDHPGKLIFAPDLVLDRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSMYPLVTATQDADSSRKLAHLLNAVTDALVWVIAKSGISSQQQSMRLANLLMLLSHVRHASNKGMEHLLNMKCKNVVPVYDLLLEMLNA-
Template: ALSPEQLVLTLLEAEPPHVLISRPSAPFTEASMMMSLTKLADKELVHMISWAKKIPGFVELSLFDQVRLLESCWMEVLMMGLMWRSIDHPGKLIFAPDLVLDRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSMYPLVTAT--ADSSRKLAHLLNAVTDALVWVIAKSGISSQQQSMRLANLLMLLSHVRHASNKGMEHLLNMKCKNVVPVXDLLLEMLNAH

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

SMYPLVTATQDADSS

1L2J B Unknot 88.89% 88.89%

SM--LVTATQDADSS

3OLL A Unknot 77.78% 77.78%

SMYPLVTAT--ADSS


Mon Sep  2 21:58:04 2019	JOB CREATED : cdd12a3b-c7f9-458f-91ad-b8c3e4d35167
Mon Sep  2 21:59:01 2019	STATUS CHANGED : N -> R
Mon Sep  2 21:59:01 2019	INFO : JOB STARTED AT: 2019-09-02 21:59:01.856026
Mon Sep  2 21:59:01 2019	INFO : METHOD: 1
Mon Sep  2 21:59:01 2019	INFO : Building Profile...
Mon Sep  2 21:59:01 2019	INFO : --E-value set to 0.001--
Mon Sep  2 22:10:14 2019	INFO : Homologue pool found...
Mon Sep  2 22:10:14 2019	INFO : Verifying structure sequences of homologues...
Mon Sep  2 23:00:18 2019	INFO : Starting homologue filtering...
Mon Sep  2 23:00:41 2019	INFO : Getting structures from PDB...
Mon Sep  2 23:00:47 2019	INFO : Creating modelling alignment...
Mon Sep  2 23:00:47 2019	INFO : Modelling...
Mon Sep  2 23:01:54 2019	INFO : Model 1 built
Mon Sep  2 23:01:54 2019	INFO : Validating Calpha distances...
Mon Sep  2 23:01:54 2019	INFO : Model 1 distances correct: True
Mon Sep  2 23:01:54 2019	INFO : Modelling...
Mon Sep  2 23:02:54 2019	INFO : Model 2 built
Mon Sep  2 23:02:54 2019	INFO : Validating Calpha distances...
Mon Sep  2 23:02:54 2019	INFO : Model 2 distances correct: True
Mon Sep  2 23:02:54 2019	INFO : Modelling...
Mon Sep  2 23:03:58 2019	INFO : Model 3 built
Mon Sep  2 23:03:58 2019	INFO : Validating Calpha distances...
Mon Sep  2 23:03:58 2019	INFO : Model 3 distances correct: True
Mon Sep  2 23:03:58 2019	INFO : Modelling...
Mon Sep  2 23:05:01 2019	INFO : Model 4 built
Mon Sep  2 23:05:01 2019	INFO : Validating Calpha distances...
Mon Sep  2 23:05:01 2019	INFO : Model 4 distances correct: True
Mon Sep  2 23:05:01 2019	INFO : Modelling...
Mon Sep  2 23:06:02 2019	INFO : Model 5 built
Mon Sep  2 23:06:02 2019	INFO : Validating Calpha distances...
Mon Sep  2 23:06:02 2019	INFO : Model 5 distances correct: True
Mon Sep  2 23:06:18 2019	INFO : Finished modelling
Mon Sep  2 23:06:18 2019	STATUS CHANGED : R -> P
Mon Sep  2 23:06:19 2019	INFO : Finished edm surfaces: no map
Mon Sep  2 23:06:19 2019	INFO : Checking topology...
Mon Sep  2 23:06:43 2019	INFO : Knot matrices done...
Mon Sep  2 23:06:43 2019	INFO : No knots found...
Mon Sep  2 23:06:43 2019	INFO : No lassos found...
Mon Sep  2 23:06:43 2019	INFO : Finishing...
Mon Sep  2 23:06:43 2019	INFO : Job done
Mon Sep  2 23:06:43 2019	STATUS CHANGED : P -> F
Mon Sep  2 23:06:43 2019	STATUS CHANGED : F -> F

GapRepairer | Interdisciplinary Laboratory of Biological Systems Modelling