Job name:

3MT5 chain A

40591e3f-4611-4050-8ce7-ac9d5c60dd86
Finished
Electron density map:

Differential EDM:
Models Number of gaps:6 Gap lengths: 64, 36, 11, 7, 5, 4
Model Entanglement Average DOPE-HR (by gap length) Smaller
DOPE-HR 1st gap2nd gap3rd gapgaps
Model 1 Non-trivial -78084

Model 2 Non-trivial -77776

None
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
EntanglementHelpKnotProtLassoProtLinkProt
Model Type Knot core Slipknot Lasso Piercing Show
range loop range loop position in JSmol
Model 1 Knot K 8231 147-622 -- -- --
Lasso LL -1,-1 -- -- 569-686 -162
Model 2 Knot K 8231 148-690 -- -- --
Lasso LL -1,-1 -- -- 569-686 -162
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 1
Model 2
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


3NAF

A

Unknot

95.22%

442.19%

417.19%

0.97

..Target: ------------KHIVVCGHITLESVSNFLKDFLHKDRDDVNVEIVFLHNISPNLELEALFKRHFTQVEFYQGSVLNPHDLARVKIESADACLILANKYCADPDAEDASNIMRVISIKNYHPKIRIITQMLQYHNKAHLLNIPSWNWKEGDDAICLAELKLGFIAQSCLAQGLSTMLANLFSMRSFIKIEEDTWQKYYLEGVSNEMYTEYLSSAFVGLSFPTVCELCFVKLKLLMIAIEYKSANRESRILINPGNHLKIQEGTLGFFIASDAKEVKRAFFYCKACHDDITDPKRIKKCGCKRLEDEQPSTLSPKKKQRNGGMRNSPNTSPKLMRHDPLLIPGNDQIDNMDSNVKKYDSTGMFHWCAPKEIEKVILTRSEAAMTVLSGHVVVCIFGDVSSALIGLRNLVMPLRASNFHYHELKHIVFVGSIEYLKREWETLHNFPKVSILPGTPLSRADLRAVNINLCDMCVILSANQNNIDDTSLQDKECILASLNIKSMQFDDSIGVLQANSQGFTPPGMDRSSPDNSPVHGMLRQPSITTGVNIPIITELVNDTNVQFLDQDDDDDPDTELYLTQPFACGTAFAVSVLDSLMSATYFNDNILTLIRTLVTGGATPELEALIAEENALRGGYSTPQTLANRDRCRVAQLALLDGPFADLGDGGCYGDLFCKALKTYNMLCFGIYRLRDAHLSTPSQCTKRYVITNPPYEFELVPTDLIFCLMQFD---
Template: KYGGSYSAVSGRKHIVVCGHITLESVSNFLKDFLHKDRDDVNVEIVFLHNISPNLELEALFKRHFTQVEFYQGSVLNPHDLARVKIESADACLILANKYCADPDAEDASNIMRVISIKNYHPKIRIITQMLQYHNKAHLLNIPSWNWKEGDDAICLAELKLGFIAQSCLAQGLSTMLANLFSMRSFIKIEEDTWQKYYLEGVSNEMYTEYLSSAFVGLSFPTVCELCFVKLKLLMIAIEYKSANRESRILINPGNHLKIQEGTLGFFIASDAKEVKRAFFYCKACH--------------------------XXXXXXXXXXXXXXXXSPKLMRHD-----------------KKYDSTGMFHWCAPKEIEKVILTRSEAAMTVLSGHVVVCIFGDVSSALIGLRNLVMPLRASNFHYHELKHIVFVGSIEYLKREWETLHNFPKVSILPGTPLSRADLRAVNINLCDMCVILSANQNNIDDTSLQDKECILASLNIKSMQFD--------------------------------------TGVNIPIITELVNDTNVQFLDQDDDDDPDTELYLTQPFACGTAFAVSVLDSLMSATYFNDNILTLIRTLVTGGATPELEALIAEENALRGGYSTPQTLANRDRCRVAQLALLDGPFADLGDGGCYGDLFCKALKTYNMLCFGIYRLRDAHLSTPSQCTKRYVITNPPYEFELVPTDLIFCLMQFDHNA

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

YCKACHDDITDPKRIKKCGCKRLEDEQPSTLSPKKKQRNGGMRNSPNTSPKLMRHDPLLIPGNDQIDNMD

3NAF A Unknot 17.19% 42.19%

YCKACH--------------------------XXXXXXXXXXXXXXXXSPKLMRHD--------------

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

QFDDSIGVLQANSQGFTPPGMDRSSPDNSPVHGMLRQPSITT

3NAF A Unknot 0.00% 0.00%

QFD--------------------------------------T

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

SANQNNIDDTSLQDKEC

3NAF A Unknot 100.00% 100.00%

SANQNNIDDTSLQDKEC

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

IEYKSANRESRIL

3NAF A Unknot 100.00% 100.00%

IEYKSANRESRIL

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

RDAHLSTPSQC

3NAF A Unknot 100.00% 100.00%

RDAHLSTPSQC

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

GGATPELEAL

3NAF A Unknot 100.00% 100.00%

GGATPELEAL


Models
Similarity profile
Modelling alignment
Raw knot fingerprint matrices:
Model_1
Model_2

Fri Dec  1 09:49:33 2017	JOB CREATED : 40591e3f-4611-4050-8ce7-ac9d5c60dd86
Sat Dec  2 03:10:03 2017	STATUS CHANGED : N -> R
Sat Dec  2 03:10:03 2017	INFO : JOB STARTED AT: 2017-12-02 03:10:03.033258
Sat Dec  2 03:10:03 2017	INFO : METHOD: 1
Sat Dec  2 03:10:03 2017	INFO : Precalculated profile found...
Sat Dec  2 03:10:03 2017	INFO : Homologue pool found...
Sat Dec  2 03:10:03 2017	INFO : Verifying structure sequences of homologues...
Sat Dec  2 03:11:05 2017	INFO : Starting homologue filtering...
Sat Dec  2 03:11:51 2017	INFO : Getting structures from PDB...
Sat Dec  2 03:12:17 2017	INFO : Creating modelling alignment...
Sat Dec  2 03:12:17 2017	INFO : Modelling...
Sat Dec  2 05:29:15 2017	INFO : Model 1 built
Sat Dec  2 05:29:15 2017	INFO : 1/6 gaps will be remodelled
Sat Dec  2 07:41:51 2017	INFO : Validating Calpha distances...
Sat Dec  2 07:41:51 2017	INFO : Model 1 distances correct: False
Sat Dec  2 07:41:51 2017	INFO : Modelling...
Sat Dec  2 08:46:08 2017	INFO : Model 2 built
Sat Dec  2 08:46:08 2017	INFO : Validating Calpha distances...
Sat Dec  2 08:46:08 2017	INFO : Model 2 distances correct: True
Sat Dec  2 08:46:08 2017	INFO : Modelling...
Sat Dec  2 09:44:12 2017	INFO : Model 3 built
Sat Dec  2 09:44:12 2017	INFO : 1/6 gaps will be remodelled
Sat Dec  2 10:45:50 2017	INFO : Validating Calpha distances...
Sat Dec  2 10:45:50 2017	INFO : Model 3 distances correct: False
Sat Dec  2 10:45:50 2017	INFO : Modelling...
Sat Dec  2 11:26:18 2017	INFO : Model 4 built
Sat Dec  2 11:26:18 2017	INFO : Validating Calpha distances...
Sat Dec  2 11:26:18 2017	INFO : Model 4 distances correct: True
Sat Dec  2 11:26:18 2017	INFO : Modelling...
Sat Dec  2 12:25:41 2017	INFO : Model 5 built
Sat Dec  2 12:25:41 2017	INFO : 1/6 gaps will be remodelled
Sat Dec  2 13:28:14 2017	INFO : Validating Calpha distances...
Sat Dec  2 13:28:14 2017	INFO : Model 5 distances correct: False
Sat Dec  2 13:28:34 2017	INFO : Finished modelling
Sat Dec  2 13:28:34 2017	STATUS CHANGED : R -> P
Sat Dec  2 13:28:34 2017	INFO : Checking topology...
Sat Dec  2 16:16:19 2017	INFO : Knot matrices done...
Sat Dec  2 16:20:35 2017	INFO : Some knots found!
Sat Dec  2 16:20:37 2017	INFO : Some lassos found!
Sat Dec  2 16:20:37 2017	INFO : Finishing...
Sat Dec  2 16:20:37 2017	STATUS CHANGED : P -> E
Sat Dec  2 16:20:37 2017	ERROR : Error while finishing
Sat Dec  2 16:20:37 2017	STATUS CHANGED : E -> F

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