Job name:

4M1C chain B

b9abfdc2-e10c-41c5-9499-e52bc03a2de8
Finished
Models Number of gaps:1 Gap lengths: 16
Model Entanglement Average DOPE-HR (by gap length)
DOPE-HR 1st gap
Model 1 Non-trivial -124853
Model 2 Non-trivial -124537
Model 3 Non-trivial -124718
Model 4 Non-trivial -124669
Model 5 Non-trivial -124592
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.

Warning: JSmol may at times display gaps where there are none - due to some overlaps in models. This does not indicate presence of gaps in downloaded structure!
EntanglementHelpKnotProtLassoProtLinkProt
Model Type Knot core Slipknot Lasso Piercing Show
range loop range loop position in JSmol
Model 1 Slipknot S 31 42-401 401-968 -- --
Model 2 Slipknot S 31 30-636 636-645 -- --
Model 3 Slipknot S 31 42-401 401-968 -- --
Model 4 Slipknot S 31 42-401 401-968 -- --
Model 5 Slipknot S 31 42-401 401-968 -- --
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


3E4A

A

Unknot

99.90%

50.00%

50.00%

0.74

..Target: MNNPAIKRIGNHITKSPEDKREYRGLELANGIKVLLISDPTTDKSSAALDVHIGSLSDPPNIAGLSHFLQHMLFLGTKKYPKENEYSQFLSEHAGSSNAFTSGEHTNYYFDVSHEHLEGALDRFAQFFLSPLFDESAKDREVNAVDSEHEKNVMNDAWRLFQLEKATGNPKHPFSKFGTGNKYTLETRPNQEGIDVRQELLKFHSAYYSSNLMAVVVLGRESLDDLTNLVVKLFSEVENKNVPLPEFPEHPFQEEHLKQLYKIVPIKDIRNLYVTFPIPDLQKYYKSNPGHYLGHLIGHEGPGSLLSELKSKGWVNTLVGGQKEGARGFMFFIINVDLTEEGLLHVEDIILHMFQYIQKLRAEGPQEWVFQELKDLNAVAFRFKDKERPRGYTSKIAGILHYYPLEEVLTAEYLLEEFRPDLIEMVLDKLRPENVRVAIVSKSFEGKTDRTEEWYGTQYKQEAIPDEVIKKWQNADLNGKFKLPTKNEFIPTNFEILPLEKEATPYPALIKDTAMSKLWFKQDDKFFLPKANLNFEFFSPFAYVDPLHSNMAYLYLELLKDSLNEYAYAAELAGLSYDLQNTIYGMYLSVKGYNDKQPILLKKIIEKMATFEIDEKRFEIIKEAYMRSLNNFRAEQPHQHAMYYLRLLMTEVAWTKDELKEALDDVTLPRLKAFIPQLLSRLHIEALLHGNITKQAALGIMQMVEDTLIEHAHTKPLLPSQLVRYREVQLPDRGWFVYQQRNEVHNNSGIEIYYQTDMQSTSENMFLELFAQIISEPAFNTLRTKEQLGYIVFSGPRRANGIQGLRFIIQSEKPPHYLESRVEAFLITMEKSIEDMTEEAFQKHIQALAIRRLDKPKKLSAESAKYWGEIISQQYNFDRDNTEVAYLKTLTKEDIIKFYKEMLAVDAPRRHKVSVHVLAREMDSNPVVGEFPAQNDINLSQAPALPQPEVIQNMTEFKRGLPLFPLVKP-
Template: -NNPAIKRIGNHITKSPEDKREYRGLELANGIKVLLISDPTTDKSSAALDVHIGSLSDPPNIAGLSHFLQHMLFLGTKKYPKENEYSQFLSEHAGSSNAFTSGEHTNYYFDVSHEHLEGALDRFAQFFLSPLFDESAKDREVNAVDSEHEKNVMNDAWRLFQLEKATGNPKHPFSKFGTGNKYTLETRPNQEGIDVRQELLKFHSAYYSSNLMAVVVLGRESLDDLTNLVVKLFSEVENKNVPLPEFPEHPFQEEHLKQLYKIVPIKDIRNLYVTFPIPDLQKYYKSNPGHYLGHLIGHEGPGSLLSELKSKGWVNTLVGGQKEGARGFMFFIINVDLTEEGLLHVEDIILHMFQYIQKLRAEGPQEWVFQELKDLNAVAFRFKDKERPRGYTSKIAGILHYYPLEEVLTAEYLLEEFRPDLIEMVLDKLRPENVRVAIVSKSFEGKTDRTEEWYGTQYKQEAIPDEVIKKWQNADLNGKFKLPTKNEFIPTNFEILPLEKEATPYPALIKDTAMSKLWFKQDDKFFLPKANLNFEFFSPFAYVDPLHSNMAYLYLELLKDSLNEYAYAAELAGLSYDLQNTIYGMYLSVKGYNDKQPILLKKIIEKMATFEIDEKRFEIIKEAYMRSLNNFRAEQPHQHAMYYLRLLMTEVAWTKDELKEALDDVTLPRLKAFIPQLLSRLHIEALLHGNITKQAALGIMQMVEDTLIEHAHTKPLLPSQLVRYREVQLPDRGWFVYQQRNEVHNNSGIEIYYQTDMQSTSENMFLELFAQIISEPAFNTLRTKEQLGYIVFSGPRRANGIQGLRFIIQSEKPPHYLESRVEAFLITMEKSIEDMTEEAFQKHIQALAIRRLDKPKKLSAESAKYWGEIISQQYNFDRDNTEVAYLKTLTKEDIIKFYKEMLAVDAPRRHKVSVHVLAREMDSNPVVG--------NLSQAPALPQPEVIQNMTEFKRGLPLFPLVKPH

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

MDSNPVVGEFPAQNDINLSQAP

3E4A A Unknot 50.00% 50.00%

MDSNPVVG--------NLSQAP


Sun Jul 23 14:56:39 2017	JOB CREATED : b9abfdc2-e10c-41c5-9499-e52bc03a2de8
Sun Jul 23 17:52:01 2017	STATUS CHANGED : N -> R
Sun Jul 23 17:52:01 2017	INFO : JOB STARTED AT: 2017-07-23 17:52:01.749036
Sun Jul 23 17:52:01 2017	INFO : METHOD: 1
Sun Jul 23 17:52:01 2017	INFO : Precalculated profile found...
Sun Jul 23 17:52:01 2017	INFO : Homologue pool found...
Sun Jul 23 17:52:01 2017	INFO : Verifying structure sequences of homologues...
Sun Jul 23 18:03:09 2017	INFO : Starting homologue filtering...
Sun Jul 23 18:05:19 2017	INFO : Getting structures from PDB...
Sun Jul 23 18:05:35 2017	INFO : Creating modelling alignment...
Sun Jul 23 18:05:35 2017	INFO : Modelling...
Sun Jul 23 18:22:18 2017	INFO : Model 1 built
Sun Jul 23 18:22:18 2017	INFO : Validating Calpha distances...
Sun Jul 23 18:22:18 2017	INFO : Model 1 distances correct: True
Sun Jul 23 18:22:18 2017	INFO : Modelling...
Sun Jul 23 18:39:57 2017	INFO : Model 2 built
Sun Jul 23 18:39:57 2017	INFO : Validating Calpha distances...
Sun Jul 23 18:39:57 2017	INFO : Model 2 distances correct: True
Sun Jul 23 18:39:57 2017	INFO : Modelling...
Sun Jul 23 18:57:05 2017	INFO : Model 3 built
Sun Jul 23 18:57:05 2017	INFO : Validating Calpha distances...
Sun Jul 23 18:57:05 2017	INFO : Model 3 distances correct: True
Sun Jul 23 18:57:05 2017	INFO : Modelling...
Sun Jul 23 19:14:11 2017	INFO : Model 4 built
Sun Jul 23 19:14:11 2017	INFO : Validating Calpha distances...
Sun Jul 23 19:14:11 2017	INFO : Model 4 distances correct: True
Sun Jul 23 19:14:11 2017	INFO : Modelling...
Sun Jul 23 19:32:28 2017	INFO : Model 5 built
Sun Jul 23 19:32:28 2017	INFO : Validating Calpha distances...
Sun Jul 23 19:32:28 2017	INFO : Model 5 distances correct: True
Sun Jul 23 19:34:03 2017	INFO : Finished modelling
Sun Jul 23 19:34:03 2017	STATUS CHANGED : R -> P
Sun Jul 23 19:34:03 2017	INFO : Checking topology...
Sun Jul 23 21:44:07 2017	INFO : Knot matrices done...
Sun Jul 23 22:01:40 2017	INFO : Some knots found!
Sun Jul 23 22:01:40 2017	INFO : No lassos found...
Sun Jul 23 22:01:40 2017	INFO : Finishing...
Sun Jul 23 22:01:41 2017	INFO : Job done
Sun Jul 23 22:01:41 2017	STATUS CHANGED : P -> F
Sun Jul 23 22:01:41 2017	STATUS CHANGED : F -> F

GapRepairer | Interdisciplinary Laboratory of Biological Systems Modelling