Job name:

3WPG chain A

86f77736-9142-4734-a43b-7cc0992d6b6e
Finished
Models Number of gaps:5 Gap lengths: 36, 7, 6, 5, 4
Model Entanglement Average DOPE-HR (by gap length) Smaller
DOPE-HR 1st gap2nd gap3rd gapgaps
Model 1 Non-trivial -66639

Model 2 Non-trivial -66528

Model 3 Unknot -63381

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.
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 31 355-473 473-638 -- --
Lasso L -1N -- -- 444-474 -413
Model 2 Lasso L +1N -- -- 444-474 +405
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 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


3W3G

A

Unknot

36.44%

263.89%

47.22%

1.39

..Target: TLPAFLPC-ELKPH--GLVDCNWLFLKSVPRFSAAASCSNITRLSLISNRIHHLHNSDFVHLSNLRQLNLKWNCPPTGLSPLHFSCHMTIEPRTFLAMRTLEELNLSYNGITTVPR-LPSSLVNLSLSHTNILVLDANSLAGLYSLRVLFMDGNCYYKNPCTGAVKVTPGALLGLSQLTHLSLKYNNLTKVPRQLPPSLEYLLVSYNLIVKLGPEDLAQLTSLRVLDVGGNCRRCDHAPNPCIEC-GQKSLHLHPETFHHLSHLEGLVLKDSSLHTLNSSWFQGLVQLSVLDLSENFLYESITHTNAFQNLTRLRKLNLSFNYRKKVSFARLHLASSFKNLVSLQELNMNGIFFRLLNKYTLRWLADLPKLHTLHLQMNFINQAQLSIFGTFRALRFVDLSDNRISGPSTLSEATPEEADDAEQEELLSA-DPHP--APLSTPASKNFMDRCKNFKFTMDLSRNNLVTIKPEMFVQLSRLQCLSLSHNSIAQAVNGSQFLPLTNLQVLDLSHNKLDLYHWKSFSELPQLQALDLSYNSQPFSMKGIGHQFSFVTHLSMLQSLSLAHNDIHTRVSSH-LNSNSVRFLDFSGNGMGRMW-DEGGLYLHFFQGLSGLLKLDLSQNNLHILRPQNLDNLPKSLKLLSLRDNYLSFFNWTSLSFLPNLEVLDLAGNQLKALTQGTLPNGTLLQKLDVSSNSIVSVVPAFFALAVELKEVNLSHNILKTVDRSWF-GPIVMQLTVLDVRSNPLHCAC----GAAFVDLLLEVQTKVPGLANGVKCGSPGQLQGRSIFAQDLRLC
Template: ---RSYPCDEKKQNDSVIAECSNRRLQEVPQ----TVGKYVTELDLSDNFITHITNESFQGLQNLTKINLNHN-PNV--------NGLNITDGAFLNLKNLRELLLEDNQLPQIPSGLPESLTELSLIQNNIYNITKEGISRLINLKNLYLAWNCYFNKVCE-KTNIEDGVFETLTNLELLSLSFNSLSHVPPKLPSSLRKLFLSNTQIKYISEEDFKGLINLTLLDLSGNCPRCFNAPFPCVPCDGGASINIDRFAFQNLTQLRYLNLSSTSLRKINAAWFKNMPHLKVLDLEFNYLVGEIASGAFLTMLPRLEILDLSFNYIKGSYPQHINISRNFSKLLSLRALHLRGYVFQELREDDFQPLMQLPNLSTINLGINFIKQIDFKLFQNFSNLEIIYLSENRIS-PLVK-------------------FDPHSNFYHFTRPLIK---PQCAAYGKALDLSLNSIFFIGPNQFENLPDIACLNLSANSNAQVLSGTEFSAIPHVKYLDLTNNRLDFDNASALTELSDLEVLDLSYNSHYFRIAGVTHHLEFIQNFTNLKVLNLSHNNIYTLTDKYNLESKSLVELVFSGNRLDILWNDDDNRYISIFKGLKNLTRLDLSLNRLKHIPNEAFLNLPASLTELHINDNMLKFFNWTLLQQFPRLELLDLRGNKLLFLTDSLSDFTSSLRTLLLSHNRISHLPSGFLSEVSSLKHLDLSSNLLKTINKSALETKTTTKLSMLELHGNPFECTCDIGDFRRWMDEHLNV--KIPRLVD-VICASPGDQRGKSI--VSLEL-


4PUF

A

Unknot

26.54%

334.76%

93.02%

1.26

..Target: TL---------PAFLPC--ELKPHGLVDC----------NWLFLKSVPRFSAAASCSNITRLSLISNRIHHLHNSDFVHLSNLRQLNLKWNCPPTGLSPLHF-SCHMTIEPRTFLAMRTLEELNLSYNGITTVP-RLPSSLVNLSLSHTNILVLDANSLAGLYSLRVLFMDGNCYYKNPCTGAVKVTPGALLGLSQLTHLSLKYNNLTKVPRQLPPSLEYLLVSYNLIVKLGPEDLAQLTSLRVLDVGGNCRRCDHAPNPCIECGQKSLHLHPETFHHLSHLEGLVLKDSSLHTLNSSWFQGLVQLSVLDLSEN---FLYESITHTNAFQNLTRLRKLNLSFNYRKKVSFARLHLASSFKNLVSLQE----LNMNGIF-FRLLNKYTLRWLADLPKLHTLHLQMNFINQAQLSIFGTFRALRFVDLSDNRISGPSTLSEATPEEADDAEQEELLSADPHPAPLSTPASKNFMDRCKNFKFTMDLSRNNLVTIKPEMFVQLSRLQCLSLSHNSIAQAVNGSQFLPLTNLQVLDLSHNKLDLYHWKSFSELPQLQALDLSYNSQPFSMKGIGHQFSFVTHLSMLQSLSLAHNDI-HTRVSSHLNSNSVRFLDFSGNGMGRMWDEGGLYLHFFQGLSGLLKL-----DLSQNNLHILRPQNLDNLPKSLKLLSLRDNYLSFFNWTSLSFLPNLEVLDLAGNQLKALTQGTLPNGTLLQKLDVSSNSIVSVVPAFFALAVELKEVNLSHNILKTVDRSWFGPIVMQLTVLDVRSNPLHCACGAAFVDLLLEV-QTKVPGLANGVKCGSPGQLQGRSIFAQDLRLC
Template: ELIWSEWVKEAPAKEAANREEAVQRMRDCLKNNKTELRLKILGLTTIP----AYIPEQITTLILDNNELKSL-------PENL-QGNIK---------TLYANSNQLTSIPAT--LPDTIQEMELSINRITELPERLPSALQSLDLFHNKISCLPEN------------LPEELRYLSVYDNSIRTLP-AHLP-SEITHLNVQSNSLTALPETLPPGLKTLEAGENALTSL-PASLPP--ELQVLDV----------------------------------------------------------------SKNQITVLPETLPPTITTLDVSRNALTNLPEN----LPAALQIMQASRNNLVRLPESLPHFRGEGPQPTRIIVEYNPFSERTIQNMQRLMSSVDYQGPRVLFAMGDFSIVR--------VTRP--LHQAVQGWLTSLEEEDVNQWRAFEAEANAAAFSGFLD------YLGDTQNTRHPDFKEQVSAWLMR-----LAEDS---ALRETVFIIAMNATISCEDRVTL-AYHQMQEATL-----------------VHDAERGAFDSHLA---ELIMAGREIFRLEQIESLAREKVKRLFFI--------DEVEVFLGFQNQLRESLSLTTMTRDMRFYNVSGITESDLDEAEIRIKMAENRD----FHKWFAL-----------WGPWHKVL---------------------ERIAPE------EWREMMAKRDECIETD-EYQSRVNAELE--DLR---------AIGIKIMEEINQTLFTEIMENI-------LLKKEVSSLMSAYW


1G9U

A

Unknot

37.11%

176.98%

30.56%

1.26

..Target: TLPAFLPCELKPHGLVDCNWLFLKSVPRFSAAASCSNITRLSLISNRIHHLHNSDFVHLSNLRQLNLKW--NCPPTGLSPLHFSCHMTIEPRTFLAMRTLEELNLSYNGITTVPRLPSSLVNLSLSHTNILVLDANSLAGLYSLRVLFMDGNCYYKNPCTGAVKVTPGALLGLSQLTHLSLKYNNLTKVPRQLPPSLEYLLVSYNLIVKLGPEDLAQLTSLRVLDVGGNCRRCDHAPNPCIECGQKSLHLHPETFHHLSHLEGLVLKDSSLHTLNSSWFQGLVQLSVLDLSENFLYESITHTNAFQNLTRLRKLNLSFNYRKKVSFARLHLASSFKNLVSLQELNMNGIFFRLLNKYTLRWLADLPKLHTLHLQMNFINQAQLSIFGTFRALRFVDLSDNRISGPSTLSEATPEEADDAEQEELLSADPHPAPLSTPASKNFMDRCKNFKFTMDLSRNNLVTIKPEMFVQLSRLQCLSLSHNSIAQAVNGSQFLP-LTNLQVLDLSHNKLDLYHWKSFSEL-PQLQALDLSYNSQPFSMKGIGHQFSFVTHLSMLQSLSLAHNDIHTRVSSHLNSNSVRFLDFSGNGMGRMWDEGGLYLHFFQGLSGLLKLDLSQNNLHILRPQNLDNLPKSLKLLSLRDNYLSFFNWTSLSFL-PNLEVLDLAGNQLKALTQGTLPNGTLLQKLDVSSNSIVSVVPAFFALAVELKEVNLSHNILKTVDRSWFGPIVMQ-LTVLDVRSNPLHCACGAAFVDLLLEVQTKVPGLANGVKCGSPGQLQGRSIFAQDLRL-C
Template: -----------------------KSKTEYYNAWS---------------------------------EWERNAPP-GNGEQR---EMAVSRLRDCLDRQAHELELNNLGLSSLPELP--------PHLESLVASCNSLT-----------------------------ELPELPQSLKSLLVDNNNLKALSDLPPLLEYLGVSNNQLEKL-PE------------------------------------------------------------LQNSSF-----LKIIDVDNN-------------SLKKLPDLPPSLEF----------IAAGNNQLEELPE------------------LQNLPFLTAIY------------------------------------------------------AD-----------------------------NNSLKKLPD----------LPLSLESIVAGNNILEELPELQNLPFLTTIYADNNLL--KTLPDLPPSLEAL----------------------------------------------------------------------------------------NVRDNYLTDLPELPQSLTFLDVSEN-----IFSGLSELPPNLYYLNASSNEIRSLCD--LP--PSLEELNVSNNKLIE-LP---ALPPRLERLIASFNHLAEV------PELPQNLKQLHVEYNP----------------LREFPDIPESV---------------EDLRMNS

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

PSTLSEATPEEADDAEQEELLSA-DPHP--APLSTPASKNFMDRC

3W3G A Unknot 13.89% 38.89%

PLVK-------------------FDPHSNFYHFTRPLIK---PQC

4PUF A Unknot 19.44% 100.00%

P--LHQAVQGWLTSLEEEDVNQWRAFEAEANAAAFSGFLD--

1G9U A Unknot 5.56% 5.56%

----------------------AD------------------

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

PTGLSPLHFSCHM

3W3G A Unknot 0.00% 0.00%

NV--------NGL

4PUF A Unknot 28.57% 71.43%

-----TLYANSNQL

1G9U A Unknot 0.00% 71.43%

P-GNGEQR---EM

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

NSQPFSMKGIGH

3W3G A Unknot 33.33% 100.00%

NSHYFRIAGVTH

4PUF A Unknot 0.00% 33.33%

-------VHDAE

1G9U A Unknot 0.00% 0.00%

------------

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

YRKKVSFARLH

3W3G A Unknot 0.00% 100.00%

YIKGSYPQHIN

4PUF A Unknot 20.00% 80.00%

----LPAALQI

1G9U A Unknot 0.00% 0.00%

F----------

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

PRFSAAASCS

3W3G A Unknot 0.00% 25.00%

PQ----TVGK

4PUF A Unknot 25.00% 50.00%

P----AYIPE

1G9U A Unknot 25.00% 100.00%

TEYYNAWS--


Models
Similarity profile
Modelling alignment
Raw knot fingerprint matrices:
Model_1

Sun Jul 23 14:59:50 2017	JOB CREATED : 86f77736-9142-4734-a43b-7cc0992d6b6e
Mon Jul 24 02:39:02 2017	STATUS CHANGED : N -> R
Mon Jul 24 02:39:02 2017	INFO : JOB STARTED AT: 2017-07-24 02:39:02.048422
Mon Jul 24 02:39:02 2017	INFO : METHOD: 1
Mon Jul 24 02:39:02 2017	INFO : Precalculated profile found...
Mon Jul 24 02:39:02 2017	INFO : Homologue pool found...
Mon Jul 24 02:39:02 2017	INFO : Verifying structure sequences of homologues...
Mon Jul 24 02:50:34 2017	INFO : Starting homologue filtering...
Mon Jul 24 02:51:48 2017	INFO : Getting structures from PDB...
Mon Jul 24 02:52:13 2017	INFO : Creating modelling alignment...
Mon Jul 24 02:52:13 2017	INFO : Modelling...
Mon Jul 24 04:08:22 2017	INFO : Model 1 built
Mon Jul 24 04:08:22 2017	INFO : 1 gaps will be remodelled
Mon Jul 24 04:37:40 2017	INFO : Validating Calpha distances...
Mon Jul 24 04:37:40 2017	INFO : Model 1 distances correct: False
Mon Jul 24 04:37:40 2017	INFO : Modelling...
Mon Jul 24 05:59:28 2017	INFO : Model 2 built
Mon Jul 24 05:59:28 2017	INFO : 1 gaps will be remodelled
Mon Jul 24 06:24:00 2017	INFO : Validating Calpha distances...
Mon Jul 24 06:24:00 2017	INFO : Model 2 distances correct: True
Mon Jul 24 06:24:00 2017	INFO : Modelling...
Mon Jul 24 07:38:00 2017	INFO : Model 3 built
Mon Jul 24 07:38:00 2017	INFO : 1 gaps will be remodelled
Mon Jul 24 07:59:53 2017	INFO : Validating Calpha distances...
Mon Jul 24 07:59:53 2017	INFO : Model 3 distances correct: True
Mon Jul 24 07:59:53 2017	INFO : Modelling...
Mon Jul 24 09:06:21 2017	INFO : Model 4 built
Mon Jul 24 09:06:21 2017	INFO : 1 gaps will be remodelled
Mon Jul 24 09:25:27 2017	INFO : Validating Calpha distances...
Mon Jul 24 09:25:27 2017	INFO : Model 4 distances correct: False
Mon Jul 24 09:25:27 2017	INFO : Modelling...
Mon Jul 24 10:19:36 2017	INFO : Model 5 built
Mon Jul 24 10:19:36 2017	INFO : 1 gaps will be remodelled
Mon Jul 24 10:38:32 2017	INFO : Validating Calpha distances...
Mon Jul 24 10:38:33 2017	INFO : Model 5 distances correct: True
Mon Jul 24 10:39:07 2017	INFO : Finished modelling
Mon Jul 24 10:39:07 2017	STATUS CHANGED : R -> P
Mon Jul 24 10:39:07 2017	INFO : Checking topology...
Mon Jul 24 11:36:11 2017	INFO : Knot matrices done...
Mon Jul 24 11:37:53 2017	INFO : Some knots found!
Mon Jul 24 11:37:54 2017	INFO : Some lassos found!
Mon Jul 24 11:37:54 2017	INFO : Finishing...
Mon Jul 24 11:37:54 2017	INFO : Job done
Mon Jul 24 11:37:54 2017	STATUS CHANGED : P -> F
Mon Jul 24 11:37:54 2017	STATUS CHANGED : F -> F

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