Job name:

5A1S chain B

d782c111-c99d-4c7a-895c-1bc7b2e85cab
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 Non-trivial -63215
Model 2 Non-trivial -63149
Model 3 Non-trivial -63078
Model 4 Non-trivial -63068
Model 5 Non-trivial -62976
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
EntanglementHelpKnotProtLassoProtLinkProt
Model Type Knot core Slipknot Lasso Piercing Show
range loop range loop position in JSmol
Model 1 Slipknot S 31 198-377 377-411 -- --
Model 2 Slipknot S 31 198-377 377-411 -- --
Model 3 Slipknot S 31 198-377 377-411 -- --
Model 4 Slipknot S 31 198-377 377-411 -- --
Model 5 Slipknot S 31 198-377 377-412 -- --
None
Topologies marked by an OK sign () are in accordance with the template topology.
Warning: Entanglement type is assigned automatically - for more complicated topologies there may be some disagreements with manually curated databases.
Model 1
Model 2
Model 3
Model 4
Model 5
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


5A1S

A

Unknot

100.00%

100.00%

100.00%

0.79

..Target: SDLLRFKIFGMPLPLYAFALITLLLSHFYNAIPTDLVGGFALMFVMGAIFGEIGKRLPIFNKYIGGAPVMIFLVAAYFVYAGIFTQKEIDAISNVMDKSNFLNLFIAVLITGAILSVNRKLLLKSLLGYIPTILAGIVGASLFGIVIGLCFGIPVDRIMMLYVLPIMGGGNGAGAVPLSEIYHSVTGRSREEYYSTAIAILTIANIFAIIFAALLDMVGKKYTWLSGEGELVRKASFKTEDDEKAGQITHRETAVGMVLSTTCFLLAYVVAKKILPSIGGVSIHYFAWMVLIVAALNASGLCSPEIKAGAKRLSDFFSKQLLWVLMVGVGVCYTDLQEIIDALTFANVVIAAIIVVGAVVGAAIGGWLIGFYPIESSITAGLCMANRGGSGDLEVLSACNRMNLISYAQISSRLGGGIVLVIASIVFSMMVLE
Template: SDLLRFKIFGMPLPLYAFALITLLLSHFYNAIPTDLVGGFALMFVMGAIFGEIGKRLPIFNKYIGGAPVMIFLVAAYFVYAGIFTQKEIDAISNVMDKSNFLNLFIAVLITGAILSVNRKLLLKSLLGYIPTILAGIVGASLFGIVIGLCFGIPVDRIMMLYVLPIMGGGNGAGAVPLSEIYHSVTGRSREEYYSTAIAILTIANIFAIIFAALLDMVGKKYTWLSGEGELVRKASFKTEDDEKAGQITHRETAVGMVLSTTCFLLAYVVAKKILPSIGGVSIHYFAWMVLIVAALNASGLCSPEIKAGAKRLSDFFSKQLLWVLMVGVGVCYTDLQEIIDALTFANVVIAAIIVVGAVVGAAIGGWLIGFYPIESSITAGLCMANRGGSGDLEVLSACNRMNLISYAQISSRLGGGIVLVIASIVFSMMVLE

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

VRKASFKTEDDEKA

5A1S A Unknot 100.00% 100.00%

VRKASFKTEDDEKA


Wed Sep 11 15:20:13 2019	JOB CREATED : d782c111-c99d-4c7a-895c-1bc7b2e85cab
Wed Sep 11 15:21:01 2019	STATUS CHANGED : N -> R
Wed Sep 11 15:21:01 2019	INFO : JOB STARTED AT: 2019-09-11 15:21:01.454467
Wed Sep 11 15:21:01 2019	INFO : METHOD: 1
Wed Sep 11 15:21:01 2019	INFO : Building Profile...
Wed Sep 11 15:21:01 2019	INFO : --E-value set to 0.001--
Wed Sep 11 15:31:21 2019	INFO : Homologue pool found...
Wed Sep 11 15:31:21 2019	INFO : Verifying structure sequences of homologues...
Wed Sep 11 15:31:26 2019	INFO : Starting homologue filtering...
Wed Sep 11 15:31:31 2019	INFO : Getting structures from PDB...
Wed Sep 11 15:31:36 2019	INFO : Creating modelling alignment...
Wed Sep 11 15:31:36 2019	INFO : Modelling...
Wed Sep 11 15:33:19 2019	INFO : Model 1 built
Wed Sep 11 15:33:19 2019	INFO : Validating Calpha distances...
Wed Sep 11 15:33:19 2019	INFO : Model 1 distances correct: True
Wed Sep 11 15:33:19 2019	INFO : Modelling...
Wed Sep 11 15:35:03 2019	INFO : Model 2 built
Wed Sep 11 15:35:03 2019	INFO : Validating Calpha distances...
Wed Sep 11 15:35:03 2019	INFO : Model 2 distances correct: True
Wed Sep 11 15:35:03 2019	INFO : Modelling...
Wed Sep 11 15:36:44 2019	INFO : Model 3 built
Wed Sep 11 15:36:44 2019	INFO : Validating Calpha distances...
Wed Sep 11 15:36:44 2019	INFO : Model 3 distances correct: True
Wed Sep 11 15:36:44 2019	INFO : Modelling...
Wed Sep 11 15:38:28 2019	INFO : Model 4 built
Wed Sep 11 15:38:28 2019	INFO : Validating Calpha distances...
Wed Sep 11 15:38:28 2019	INFO : Model 4 distances correct: True
Wed Sep 11 15:38:28 2019	INFO : Modelling...
Wed Sep 11 15:40:11 2019	INFO : Model 5 built
Wed Sep 11 15:40:11 2019	INFO : Validating Calpha distances...
Wed Sep 11 15:40:11 2019	INFO : Model 5 distances correct: True
Wed Sep 11 15:40:43 2019	INFO : Finished modelling
Wed Sep 11 15:40:43 2019	STATUS CHANGED : R -> P
Wed Sep 11 15:41:07 2019	INFO : Finished edm surfaces: success
Wed Sep 11 15:41:07 2019	INFO : Checking topology...
Wed Sep 11 15:45:21 2019	INFO : Knot matrices done...
Wed Sep 11 15:46:46 2019	INFO : Some knots found!
Wed Sep 11 15:46:46 2019	INFO : No lassos found...
Wed Sep 11 15:46:46 2019	INFO : Finishing...
Wed Sep 11 15:46:47 2019	INFO : Job done
Wed Sep 11 15:46:47 2019	STATUS CHANGED : P -> F
Wed Sep 11 15:46:47 2019	STATUS CHANGED : F -> F

GapRepairer | Interdisciplinary Laboratory of Biological Systems Modelling