Job name:

5XAT chain A

3ca43fd2-b7fd-4097-8d0f-2e7539754ff3
Finished
Electron density map:

Differential EDM:
Models Number of gaps:1 Gap lengths: 9
Model Entanglement Average DOPE-HR (by gap length)
DOPE-HR 1st gap
Model 1 Non-trivial -61809
Model 2 Non-trivial -61958
Model 3 Non-trivial -61777
Model 4 Non-trivial -61657
Model 5 Non-trivial -61699
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 31 195-390 390-400 -- --
Model 2 Slipknot S 31 195-390 390-400 -- --
Model 3 Slipknot S 31 196-390 390-400 -- --
Model 4 Slipknot S 31 196-390 390-400 -- --
Model 5 Slipknot S 31 192-390 390-400 -- --
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

91.69%

100.00%

77.78%

0.52

..Target: G----FKIFGMPLPLYAFALITLLLSHFYNALPTDIVGGFAIMFIIGAIFGEIGKRLPIFNKYIGGAPVMIFLVAAYFVYAGIFTQKEIDAISNVMDKSNFLNLFIAVLITGAILSVNRRLLLKSLLGYIPTILMGIVGASIFGIAIGLVFGIPVDRIMMLYVLPIMGGGNGAGAVPLSEIYHSVTGRSREEYYSTAIAILTIANIFAIVFAAVLDIIGKKHTWLSGEGELVRKASFKVEEDEKTGQITHRETAVGLVLSTTCFLLAYVVAKKILPSIGGVAIHYFAWMVLIVAALNASGLCSPEIKAGAKRLSDFFSKQLLWVLMVGVGVCYTDLQEIINAITFANVVIAAIIVIGAVLGAAIGGWLMGFFPIESAITAGLCMANRGGSGDLEVLSACNRMNLISYAQISSRLGGGIVLVIASIVFGMM---
Template: SDLLRFKIFGMPLPLYAFALITLLLSHFYNAIPTDLVGGFALMFVMGAIFGEIGKRLPIFNKYIGGAPVMIFLVAAYFVYAGIFTQKEIDAISNVMDKSNFLNLFIAVLITGAILSVNRKLLLKSLLGYIPTILAGIVGASLFGIVIGLCFGIPVDRIMMLYVLPIMGGGNGAGAVPLSEIYHSVTGRSREEYYSTAIAILTIANIFAIIFAALLDMVGKKYTWLSGEGELVRKASFKTEDDEKAGQITHRETAVGMVLSTTCFLLAYVVAKKILPSIGGVSIHYFAWMVLIVAALNASGLCSPEIKAGAKRLSDFFSKQLLWVLMVGVGVCYTDLQEIIDALTFANVVIAAIIVVGAVVGAAIGGWLIGFYPIESSITAGLCMANRGGSGDLEVLSACNRMNLISYAQISSRLGGGIVLVIASIVFSMMVLE

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

VRKASFKVEEDEKTG

5A1S A Unknot 77.78% 100.00%

VRKASFKTEDDEKAG


Mon Oct 14 11:27:21 2019	JOB CREATED : 3ca43fd2-b7fd-4097-8d0f-2e7539754ff3
Mon Oct 14 11:28:02 2019	STATUS CHANGED : N -> R
Mon Oct 14 11:28:02 2019	INFO : JOB STARTED AT: 2019-10-14 11:28:02.230592
Mon Oct 14 11:28:02 2019	INFO : METHOD: 1
Mon Oct 14 11:28:02 2019	INFO : Building Profile...
Mon Oct 14 11:28:02 2019	INFO : --E-value set to 0.001--
Mon Oct 14 11:37:11 2019	INFO : Homologue pool found...
Mon Oct 14 11:37:11 2019	INFO : Verifying structure sequences of homologues...
Mon Oct 14 11:37:21 2019	INFO : Starting homologue filtering...
Mon Oct 14 11:37:25 2019	INFO : Getting structures from PDB...
Mon Oct 14 11:37:31 2019	INFO : Creating modelling alignment...
Mon Oct 14 11:37:31 2019	INFO : Modelling...
Mon Oct 14 11:44:14 2019	INFO : Model 1 built
Mon Oct 14 11:44:14 2019	INFO : Validating Calpha distances...
Mon Oct 14 11:44:14 2019	INFO : Model 1 distances correct: True
Mon Oct 14 11:44:14 2019	INFO : Modelling...
Mon Oct 14 11:49:06 2019	INFO : Model 2 built
Mon Oct 14 11:49:06 2019	INFO : Validating Calpha distances...
Mon Oct 14 11:49:06 2019	INFO : Model 2 distances correct: True
Mon Oct 14 11:49:06 2019	INFO : Modelling...
Mon Oct 14 11:52:18 2019	INFO : Model 3 built
Mon Oct 14 11:52:18 2019	INFO : Validating Calpha distances...
Mon Oct 14 11:52:18 2019	INFO : Model 3 distances correct: True
Mon Oct 14 11:52:18 2019	INFO : Modelling...
Mon Oct 14 11:58:46 2019	INFO : Model 4 built
Mon Oct 14 11:58:46 2019	INFO : Validating Calpha distances...
Mon Oct 14 11:58:46 2019	INFO : Model 4 distances correct: True
Mon Oct 14 11:58:46 2019	INFO : Modelling...
Mon Oct 14 12:03:40 2019	INFO : Model 5 built
Mon Oct 14 12:03:40 2019	INFO : Validating Calpha distances...
Mon Oct 14 12:03:40 2019	INFO : Model 5 distances correct: True
Mon Oct 14 12:04:08 2019	INFO : Finished modelling
Mon Oct 14 12:04:08 2019	STATUS CHANGED : R -> P
Mon Oct 14 12:04:22 2019	INFO : Finished edm surfaces: success
Mon Oct 14 12:04:22 2019	INFO : Checking topology...
Mon Oct 14 12:08:23 2019	INFO : Knot matrices done...
Mon Oct 14 12:09:23 2019	INFO : Some knots found!
Mon Oct 14 12:09:23 2019	INFO : No lassos found...
Mon Oct 14 12:09:23 2019	INFO : Finishing...
Mon Oct 14 12:09:23 2019	INFO : Job done
Mon Oct 14 12:09:23 2019	STATUS CHANGED : P -> F
Mon Oct 14 12:09:23 2019	STATUS CHANGED : F -> F

GapRepairer | Interdisciplinary Laboratory of Biological Systems Modelling