4_1_May_SF_Bin52_scaffold_5716_c1_3776-6595_1

SWISS-MODEL Homology Modelling Report

Model Building Report

This document lists the results for the homology modelling project "4_1_May_SF_Bin52_scaffold_5716_c1_3776-6595_1" submitted to SWISS-MODEL workspace on March 29, 2023, 8:37 p.m..The submitted primary amino acid sequence is given in Table T1.

If you use any results in your research, please cite the relevant publications:

Waterhouse, A., Bertoni, M., Bienert, S., Studer, G., Tauriello, G., Gumienny, R., Heer, F.T., de Beer, T.A.P., Rempfer, C., Bordoli, L., Lepore, R., Schwede, T. SWISS-MODEL: homology modelling of protein structures and complexes. Nucleic Acids Res. 46(W1), W296-W303 (2018).
Bienert, S., Waterhouse, A., de Beer, T.A.P., Tauriello, G., Studer, G., Bordoli, L., Schwede, T. The SWISS-MODEL Repository - new features and functionality. Nucleic Acids Res. 45, D313-D319 (2017).
Studer, G., Tauriello, G., Bienert, S., Biasini, M., Johner, N., Schwede, T. ProMod3 - A versatile homology modelling toolbox. PLOS Comp. Biol. 17(1), e1008667 (2021).
Studer, G., Rempfer, C., Waterhouse, A.M., Gumienny, G., Haas, J., Schwede, T. QMEANDisCo - distance constraints applied on model quality estimation. Bioinformatics 36, 1765-1771 (2020).
Bertoni, M., Kiefer, F., Biasini, M., Bordoli, L., Schwede, T. Modeling protein quaternary structure of homo- and hetero-oligomers beyond binary interactions by homology. Scientific Reports 7 (2017).

Results

The SWISS-MODEL template library (SMTL version 2023-03-23, PDB release 2023-03-17) was searched with for evolutionary related structures matching the target sequence in Table T1. For details on the template search, see Materials and Methods. Overall 411 templates were found (Table T2).

Models

The following models were built (see Materials and Methods "Model Building"):

Model #02	File	Built with	Oligo-State	Ligands	GMQE	QMEANDisCo Global
	PDB	ProMod3 3.2.1	monomer	1 x MO: MOLYBDENUM ATOM;	0.68	0.69 ± 0.05

Template	Seq Identity	Oligo-state	QSQE	Found by	Method	Resolution	Seq Similarity	Range	Coverage	Description
7b04.1.B	39.66	monomer	0.00	HHblits	X-ray	2.97Å	0.40	29 - 938	0.95	Nitrite oxidoreductase subunit A

Included Ligands

Ligand	Description
1 x MO	MOLYBDENUM ATOM

Excluded ligands

Ligand Name.Number	Reason for Exclusion	Description
CA.10	Binding site not conserved.	CALCIUM ION
CA.11	Binding site not conserved.	CALCIUM ION
F3S.4	Binding site not conserved.	FE3-S4 CLUSTER
HEM.9	Binding site not conserved.	PROTOPORPHYRIN IX CONTAINING FE
MD1.5	Binding site not conserved.	PHOSPHORIC ACID 4-(2-AMINO-4-OXO-3,4,5,6,-TETRAHYDRO-PTERIDIN-6-YL)-2-HYDROXY-3,4-DIMERCAPTO-BUT-3-EN-YL ESTER GUANYLATE ESTER
MD1.6	Binding site not conserved.	PHOSPHORIC ACID 4-(2-AMINO-4-OXO-3,4,5,6,-TETRAHYDRO-PTERIDIN-6-YL)-2-HYDROXY-3,4-DIMERCAPTO-BUT-3-EN-YL ESTER GUANYLATE ESTER
SF4.1	Binding site not conserved.	IRON/SULFUR CLUSTER
SF4.2	Binding site not conserved.	IRON/SULFUR CLUSTER
SF4.3	Binding site not conserved.	IRON/SULFUR CLUSTER
SF4.8	Binding site not conserved.	IRON/SULFUR CLUSTER

Target    AQGVSRRQLLGRALALGSGAALADLLGPARFLSPAGAATAGAVVPGNPLRVMPDRTWEQIYRNQFEDDSTFVFTCAPNDT
7b04.1.B  -MKLTRRAFLQVAGATGATLTLAKNAMAFRLLKP-------AVVVDNPLDTYPDRRWESVYRDQYQYDRTFTYCCSPNDT

Target    HNCLLRAHVKNGVVVRISPTYGYGEATDLYGNRASHRWDPRTCQKGLILSRRFYSERRVKAPMIRKGFKDWVEAGYPRND
7b04.1.B  HACRIRAFVRNNVMMRVEQNYDHQNYSDLYGNKATRNWNPRMCLKGYTFHRRVYGPYRLRYPLIRKGWKRWADDGFPELT

Target    DGTP-QMDVTLRGSDDWIRISWDEATTIAAKTMEDVARTF-NGDEGARKLLAQGYHPEMVEVMHGAGVQALKLRGGMPLL
7b04.1.B  PENKTKYMFDNRGNDELLRASWDEAFTYASKGIIHITKKYSGPEG-AQKLIDQGYPKEMVDRMQGAGTRTFKGRGGMGLL

Target    GIGRIFGFYRFANMLALLDRKLRPDAPADEILGSRTFDNYAWHTDLPPGHPMVTGSQTVDFDLFSAEHTKLLLIIGMNWI
7b04.1.B  GVIGKYGMYRFNNCLAIVDAHNRG-VGPDQALGGRNWSNYTWHGDQAPGHPFSHGLQTSDVDMNDVRFSKLLIQTGKNLI

Target    CTKMPDGHWIGDARLKGTRVIVISADYMPTANKADEVIILRPGTDAAFFLGVARELIEKGLYDRAAVIERTDLPLLVRLD
7b04.1.B  ENKMPEAHWVTEVMERGGKIVVITPEYSPSAQKADYWIPIRNNTDTALFLGITKILIDNKWYDADYVKKFTDFPLLIRTD

Target    TGERLDARDVIPGYELAALTNYVTLKPDAEIKGNPPPPPFTAGGQVVPTELRDAWGDFVWWDRATGRPRPVSRDEVG---
7b04.1.B  TLKRVSPKDIIPNYKLQDISD-----------G---PSYHIQG---LKDEQREIIGDFVVWDAKSKGPKAITRDDVGETL

Target    ARFDGDPALLGEFEVELVDGSTVPVRPAFDLLKQYLDESFDLRTASEVCRVPPQAIQSIARQLAANKRETLLAAGMGPNH
7b04.1.B  VKKGIDPVLEGSFKLKTIDGKEIEVMTLLEMYKIHLR-DYDIDSVVSMTNSPKDLIERLAKDIATIKPVA-IHYGEGVNH

Target    YFQNDLFGRVQFLVAALTDNIGHLGGNVGSYAGNYRGSVFQA---MG-Q---WIAEDPFAIEPDLTKPA------TVKRY
7b04.1.B  YFHATLMNRSYYLPVMLTGNVGYFGSGSHTWAGNYKAGNFQASKWSGPGFYGWVAEDVF--KPNL-DPYASAKDLNIKGR

Target    YKAESAHYWNYGERPLRAVAKDDEGDLTKGEVLTGKSHMPTPTKLIWFGNSNSLLGNAKWSFDVVKNTLPRQDAVFCNEW
7b04.1.B  ALDEEVAYWNHSERPLIV-NT---P-KYGRKVFTGKTHMPSPTKVLWFTNVNLINNAKH-VYQMLKNVNPNIEQIMSTDI

Target    HWTSSCEYADLVFPADSWAEFKLPDATAS--CTNPFLLAFPTTPLKRLYDTRSDYEALALTAKALGELIDEPRMEQYWRG
7b04.1.B  EITGSIEYADFAFPANSWVEFQ--EFEITNSCSNPFIQIWGKTGITPVYESKDDVKILAGMASKLGELLRDKRFEDNWKF

Target    ILDGDPTPYLQRIFSGSNATRGITYDELHESSK--RGVPLLMNMRTYPRSGGWEQRQEDKPWYTATGRLEFYRPEPEFQA
7b04.1.B  AIEGRASVYINRLLDGSTTMKGYTCEDILNGKYGEPGVAML-LFRTYPRHPFWEQVHESLPFYTPTGRLQAYNDEPEIIE

Target    AGESLPVWREPVDATFYEPNAILSNAAHPSIAPRAPEDYGVPESQLDVETRQYRNVVRTWAELQQTLHPLQERDPAFRFV
7b04.1.B  YGENFIVHREGPEATPYLPNAIVS--TNPYIR---PDDYGIPENAEYWEDRTVRNIKKSWEETKKTKNFLWE--KGYHFY

Target    F
7b04.1.B  -

Model #01	File	Built with	Oligo-State	Ligands	GMQE	QMEANDisCo Global
	PDB	ProMod3 3.2.1	monomer	1 x MO: MOLYBDENUM ATOM;	0.67	0.68 ± 0.05

Template	Seq Identity	Oligo-state	QSQE	Found by	Method	Resolution	Seq Similarity	Range	Coverage	Description
7b04.1.B	41.29	monomer	0.00	BLAST	X-ray	2.97Å	0.41	47 - 938	0.91	Nitrite oxidoreductase subunit A

Included Ligands

Ligand	Description
1 x MO	MOLYBDENUM ATOM

Excluded ligands

Ligand Name.Number	Reason for Exclusion	Description
CA.10	Binding site not conserved.	CALCIUM ION
CA.11	Binding site not conserved.	CALCIUM ION
F3S.4	Binding site not conserved.	FE3-S4 CLUSTER
HEM.9	Binding site not conserved.	PROTOPORPHYRIN IX CONTAINING FE
MD1.5	Binding site not conserved.	PHOSPHORIC ACID 4-(2-AMINO-4-OXO-3,4,5,6,-TETRAHYDRO-PTERIDIN-6-YL)-2-HYDROXY-3,4-DIMERCAPTO-BUT-3-EN-YL ESTER GUANYLATE ESTER
MD1.6	Binding site not conserved.	PHOSPHORIC ACID 4-(2-AMINO-4-OXO-3,4,5,6,-TETRAHYDRO-PTERIDIN-6-YL)-2-HYDROXY-3,4-DIMERCAPTO-BUT-3-EN-YL ESTER GUANYLATE ESTER
SF4.1	Binding site not conserved.	IRON/SULFUR CLUSTER
SF4.2	Binding site not conserved.	IRON/SULFUR CLUSTER
SF4.3	Binding site not conserved.	IRON/SULFUR CLUSTER
SF4.8	Binding site not conserved.	IRON/SULFUR CLUSTER

Target    AQGVSRRQLLGRALALGSGAALADLLGPARFLSPAGAATAGAVVPGNPLRVMPDRTWEQIYRNQFEDDSTFVFTCAPNDT
7b04.1.B  ----------------------------------------------NPLDTYPDRRWESVYRDQYQYDRTFTYCCSPNDT

Target    HNCLLRAHVKNGVVVRISPTYGYGEATDLYGNRASHRWDPRTCQKGLILSRRFYSERRVKAPMIRKGFKDWVEAGYPRND
7b04.1.B  HACRIRAFVRNNVMMRVEQNYDHQNYSDLYGNKATRNWNPRMCLKGYTFHRRVYGPYRLRYPLIRKGWKRWADDGFP---

Target    DGTPQMDVTL----RGSDDWIRISWDEATTIAAKTMEDVARTFNGDEGARKLLAQGYHPEMVEVMHGAGVQALKLRGGMP
7b04.1.B  ELTPENKTKYMFDNRGNDELLRASWDEAFTYASKGIIHITKKYSGPEGAQKLIDQGYPKEMVDRMQGAGTRTFKGRGGMG

Target    LLGIGRIFGFYRFANMLALLDRKLRPDAPADEILGSRTFDNYAWHTDLPPGHPMVTGSQTVDFDLFSAEHTKLLLIIGMN
7b04.1.B  LLGVIGKYGMYRFNNCLAIVDAHNRGVGP-DQALGGRNWSNYTWHGDQAPGHPFSHGLQTSDVDMNDVRFSKLLIQTGKN

Target    WICTKMPDGHWIGDARLKGTRVIVISADYMPTANKADEVIILRPGTDAAFFLGVARELIEKGLYDRAAVIERTDLPLLVR
7b04.1.B  LIENKMPEAHWVTEVMERGGKIVVITPEYSPSAQKADYWIPIRNNTDTALFLGITKILIDNKWYDADYVKKFTDFPLLIR

Target    LDTGERLDARDVIPGYELAALTNYVTLKPDAEIKGNPPPPPFTAGGQVVPTELRDAWGDFVWWDRATGRPRPVSRDEVG-
7b04.1.B  TDTLKRVSPKDIIPNYKLQDISD----GPSYHIQG-------------LKDEQREIIGDFVVWDAKSKGPKAITRDDVGE

Target    --ARFDGDPALLGEFEVELVDGSTVPVRPAFDLLKQYLDESFDLRTASEVCRVPPQAIQSIARQLAANKRETLLAAGMGP
7b04.1.B  TLVKKGIDPVLEGSFKLKTIDGKEIEVMTLLEMYKIHLRD-YDIDSVVSMTNSPKDLIERLAKDIATIK-PVAIHYGEGV

Target    NHYFQNDLFGRVQFLVAALTDNIGHLGGNVGSYAGNYRGSVFQA-------MGQWIAEDPFAIEPDL-----TKPATVKR
7b04.1.B  NHYFHATLMNRSYYLPVMLTGNVGYFGSGSHTWAGNYKAGNFQASKWSGPGFYGWVAEDVF--KPNLDPYASAKDLNIKG

Target    YYKAESAHYWNYGERPLRAVAKDDEGDLTKGEVLTGKSHMPTPTKLIWFGNSNSLLGNAKWSFDVVKNTLPRQDAVFCNE
7b04.1.B  RALDEEVAYWNHSERPL-IVNTPKYGR----KVFTGKTHMPSPTKVLWFTNVN-LINNAKHVYQMLKNVNPNIEQIMSTD

Target    WHWTSSCEYADLVFPADSWAEFKLPDATASCTNPFLLAFPTTPLKRLYDTRSDYEALALTAKALGELIDEPRMEQYWRGI
7b04.1.B  IEITGSIEYADFAFPANSWVEFQEFEITNSCSNPFIQIWGKTGITPVYESKDDVKILAGMASKLGELLRDKRFEDNWKFA

Target    LDGDPTPYLQRIFSGSNATRGITYDEL--HESSKRGVPLLMNMRTYPRSGGWEQRQEDKPWYTATGRLEFYRPEPEFQAA
7b04.1.B  IEGRASVYINRLLDGSTTMKGYTCEDILNGKYGEPGVAMLL-FRTYPRHPFWEQVHESLPFYTPTGRLQAYNDEPEIIEY

Target    GESLPVWREPVDATFYEPNAILSNAAHPSIAPRAPEDYGVPESQLDVETRQYRNVVRTWAELQQTLHPLQERDPAFRFVF
7b04.1.B  GENFIVHREGPEATPYLPNAIVS--TNPYI---RPDDYGIPENAEYWEDRTVRNIKKSWEETKKTKNFLWEKGYHFYCV-

Model #03	File	Built with	Oligo-State	Ligands	GMQE	QMEANDisCo Global
	PDB	ProMod3 3.2.1	monomer	1 x 6MO: MOLYBDENUM(VI) ION;	0.40	0.54 ± 0.05

Template	Seq Identity	Oligo-state	QSQE	Found by	Method	Resolution	Seq Similarity	Range	Coverage	Description
3ir5.1.A	25.36	monomer	0.00	HHblits	X-ray	2.30Å	0.33	54 - 767	0.67	Respiratory nitrate reductase 1 alpha chain

Included Ligands

Ligand	Description
1 x 6MO	MOLYBDENUM(VI) ION

Excluded ligands

Ligand Name.Number	Reason for Exclusion	Description
AGA.5	Binding site not conserved.	(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE
F3S.9	Binding site not conserved.	FE3-S4 CLUSTER
HEM.10	Binding site not conserved.	PROTOPORPHYRIN IX CONTAINING FE
HEM.11	Binding site not conserved.	PROTOPORPHYRIN IX CONTAINING FE
MD1.1	Binding site not conserved.	PHOSPHORIC ACID 4-(2-AMINO-4-OXO-3,4,5,6,-TETRAHYDRO-PTERIDIN-6-YL)-2-HYDROXY-3,4-DIMERCAPTO-BUT-3-EN-YL ESTER GUANYLATE ESTER
MD1.2	Binding site not conserved.	PHOSPHORIC ACID 4-(2-AMINO-4-OXO-3,4,5,6,-TETRAHYDRO-PTERIDIN-6-YL)-2-HYDROXY-3,4-DIMERCAPTO-BUT-3-EN-YL ESTER GUANYLATE ESTER
SF4.4	Binding site not conserved.	IRON/SULFUR CLUSTER
SF4.6	Binding site not conserved.	IRON/SULFUR CLUSTER
SF4.7	Binding site not conserved.	IRON/SULFUR CLUSTER
SF4.8	Binding site not conserved.	IRON/SULFUR CLUSTER

Target    AQGVSRRQLLGRALALGSGAALADLLGPARFLSPAGAATAGAVVPGNPLRVMPDRTWEQIYRNQFEDDSTFVFTCAPNDT
3ir5.1.A  -----------------------------------------------------NRDWEDGYRQRWQHDKIVRSTCGVNCT

Target    HNCLLRAHVKNGVVVRISPTYGYGEATDLYGNRASHRWDPRTCQKGLILSRRFYSERRVKAPMIRKGF-KDWVEAGY---
3ir5.1.A  GSCSWKIYVKNGLVTWETQQTDYPR-----TRPDLPNHEPRGCPRGASYSWYLYSANRLKYPMMRKRLMKMWREAKALHS

Target    -PR-------NDDGTPQMDVTLRGSDDWIRISWDEATTIAAKTMEDVARTFNGDEGARKLLAQGYHPEMVEVMHGAGVQA
3ir5.1.A  DPVEAWASIIEDADKAKSFKQARGRGGFVRSSWQEVNELIAASNVYTIKNYG--------------PDRVAGFSPIPAMS

Target    LKLRGGMPLLGIGRIFGFYRFANMLALLDRKLRPDAPADEILGSRTFDNYAWHTDLPPGHPMVTGSQTVDFDLFSAEHTK
3ir5.1.A  MV-----------SYASGARYLS-----------------LIGGTCLSFYDWYCDLPPASPQTWGEQTDVPESADWYNSS

Target    LLLIIGMNWICTKMPDGHWIGDARLKGTRVIVISADYMPTANKADEVIILRPGTDAAFFLGVARELIEKGL------YDR
3ir5.1.A  YIIAWGSNVPQTRTPDAHFFTEVRYKGTKTVAVTPDYAEIAKLCDLWLAPKQGTDAAMALAMGHVMLREFHLDNPSQYFT

Target    AAVIERTDLPLLVRLD-------TGERLDARDVIPGYELAALTNYVTLKPDAEIKGNPPPPPFTAGGQVVPTELRDAWGD
3ir5.1.A  DYVRRYTDMPMLVMLEERDGYYAAGRMLRAADLVDALGQEN----------------------------------NPEWK

Target    FVWWDRATGRPRPVSRDE--------------------------------------VG-ARFD-----------GDPALL
3ir5.1.A  TVAFNT-NGEMVAPNGSIGFRWGEKGKWNLEQRDGKTGEETELQLSLLGSQDEIAEVGFPYFGGDGTEHFNKVELENVLL

Target    G---EFEVELVDGSTVPVRPAFDLLK------------------QYLDESFDLRTASEVCRVPPQAIQSIARQLAAN---
3ir5.1.A  HKLPVKRLQLADGSTALVTTVYDLTLANYGLERGLNDVNCATSYDDV-KAYTPAWAEQITGVSRSQIIRIAREFADNADK

Target    --KRETLLAAGMGPNHYFQNDLFGRVQFLVAALTDNIGHLGGNVGSYAGNYRGSVFQAMGQWIAEDPFAIEP--------
3ir5.1.A  THGR-SMIIVGAGLNHWYHLDMNYRGLINMLIFCGCVGQSGGGWAHYVGQEKLRPQTGWQPLAFALDWQRPARHMNSTSY

Target    ----------------DLTKPA-TVKRYYK--------AESAHYW----NYGERPLRAVAKDD-----EGDLTKGEVLTG
3ir5.1.A  FYNHSSQWRYETVTAEELLSPMADKSRYTGHLIDFNVRAERMGWLPSAPQLGTNPLTIAGEAEKAGMNPVDYTVKSLKEG

Target    KS--------HMPTPTKLIWFGNSNSLLGNAKWSFDVV------------------------------KNTLPRQDAVFC
3ir5.1.A  SIRFAAEQPENGKNHPRNLFIWRSNLLGSSGKGHEFMLKYLLGTEHGIQGKDLGQQGGVKPEEVDWQDNGLEGKLDLVVT

Target    NEWHWTSSCEYADLVFPADSWAEFKLPDATASCTNPFLLAFPTTPLKRLYDTRSDYEALALTAKALGELIDEPRMEQYWR
3ir5.1.A  LDFRLSSTCLYSDIILPTATWYEK--DDMNTSDMHPFIHPL-SAAVDPAWEAKSDWEIYKAIAKKFSE------------

Target    GILDGDPTPYLQRIFSGSNATRGITYDELHESSKRGVPLLMNMRTYPRSGGWEQRQEDKPWYTATGRLEFYRPEPEFQAA
3ir5.1.A  --------------------------------------------------------------------------------

Target    GESLPVWREPVDATFYEPNAILSNAAHPSIAPRAPEDYGVPESQLDVETRQYRNVVRTWAELQQTLHPLQERDPAFRFVF
3ir5.1.A  --------------------------------------------------------------------------------

Model #04	File	Built with	Oligo-State	Ligands	GMQE	QMEANDisCo Global
	PDB	ProMod3 3.2.1	monomer	None	0.37	0.48 ± 0.05

Template	Seq Identity	Oligo-state	QSQE	Found by	Method	Resolution	Seq Similarity	Range	Coverage	Description
6sdv.1.A	18.11	monomer	0.00	HHblits	X-ray	1.90Å	0.29	54 - 767	0.64	Formate dehydrogenase, alpha subunit, selenocysteine-containing,Formate dehydrogenase, alpha subunit, selenocysteine-containing,W-formate dehydrogenase - alpha subunit

Excluded ligands

Ligand Name.Number	Reason for Exclusion	Description
GOL.6	Not biologically relevant.	GLYCEROL
GOL.7	Not biologically relevant.	GLYCEROL
GOL.8	Not biologically relevant.	GLYCEROL
GOL.9	Not biologically relevant.	GLYCEROL
GOL.10	Not biologically relevant.	GLYCEROL
GOL.11	Not biologically relevant.	GLYCEROL
GOL.12	Not biologically relevant.	GLYCEROL
GOL.13	Not biologically relevant.	GLYCEROL
GOL.14	Not biologically relevant.	GLYCEROL
GOL.15	Not biologically relevant.	GLYCEROL
H2S.5	Binding site not conserved.	HYDROSULFURIC ACID
MGD.1	Binding site not conserved.	2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
MGD.2	Binding site not conserved.	2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
NO3.16	Not biologically relevant.	NITRATE ION
NO3.17	Not biologically relevant.	NITRATE ION
PEG.18	Not biologically relevant.	DI(HYDROXYETHYL)ETHER
SF4.3	Binding site not conserved.	IRON/SULFUR CLUSTER
SF4.19	Binding site not conserved.	IRON/SULFUR CLUSTER
SF4.20	Binding site not conserved.	IRON/SULFUR CLUSTER
SF4.21	Binding site not conserved.	IRON/SULFUR CLUSTER
W.4	Not in contact with model.	TUNGSTEN ION

Target    AQGVSRRQLLGRALALGSGAALADLLGPARFLSPAGAATAGAVVPGNPLRVMPDRTWEQIYRNQFEDDSTFVFTCAPNDT
6sdv.1.A  -MTVTRRHFLKLSAGAAVAGAFT-----------------GLGLSLAPTVARAELQ-----KL--QWA-KQTTSICCYCA

Target    HNCLLRAHVK---NGVVVRISPTYGYGEATDLYGNRASHRWDPRTCQKGLILSRRFYSERRVKAPMIRKGFKDWVEAGYP
6sdv.1.A  VGCGLIVHTAKDGQGRAVNVEGD------------PDHPINEGSLCPKGASIFQLGENDQRGTQPLYRAP----------

Target    RNDDGTPQMDVTLRGSDDWIRISWDEATTIAAKTMEDVARTFNGDEGARKLLAQGYHPEMVEVMHGAGVQALKLRGGMPL
6sdv.1.A  --------------FSDTWKPVTWDFALTEIAKRIKKTRDASFTEKNAAGDL--VNRTEAIASFG---------------

Target    LGIGRIFGFYRFANMLALLDRKLRPDAPADEILGSRTFDNYAWHTD--LPPGHPMVTGSQTVDFDLFSAEHTKLLLIIGM
6sdv.1.A  --------SAAMDNEECWAYGNIL------RSLGLVYIEHQARIUHSPTVPALAESFGRGAMTNHWNDLANSDCILIMGS

Target    NWICTKMPDGHWIGDARLKGTRVIVISADYMPTANKADEVIILRPGTDAAFFLGVARELIEKGLYDRAAVIERTDLPLLV
6sdv.1.A  NAAENHPIAFKWVLRAKDKGATLIHVDPRFTRTSARCDVYAPIRSGADIPFLGGLIKYILDNKLYFTDYVREYTNASLIV

Target    RLDTGERLDARDVIPGYELAALTNYVTLKPDAEIKGNPPPPPFTAGGQVVPTELRDAWGDFVWWDRATGRPRPVSRDEVG
6sdv.1.A  GEKFS---FKDGLFSGYDAA-N---------------------------------KKYDKS-MWAFE------LD--A--

Target    ARFDGDPALLGEFEVELVDGSTVPVRPAFDLLKQYLDESFDLRTASEVCRVPPQAIQSIARQLAANK---RETLLAAGMG
6sdv.1.A  ---------NG---VPKRDPALKHPRCVINLLKKHYE-RYNLDKVAAITGTSKEQLQQVYKAYAATGKPDKAGTIMYAMG

Target    PNHYFQNDLFGRVQFLVAALTDNIGHLGGNVGSYAGNY--RGSVFQAMGQWIAEDPFAI-EPDLT-------KPATVKRY
6sdv.1.A  WTQHSVGVQNIRAMAMIQLLLGNIGVAGGGVNALRGESNVQGST--DQGLLAHIWPGYNPVPNSKAATLELYNAATPQSK

Target    YKAESAHYWNYGER--------------PL---RAVAKDDE-G---DLTKGEVLTGKSHMPTPTKLIWFGNSNSLLGNAK
6sdv.1.A  DP-MSVNWWQNRPKYVASYLKALYPDEEPAAAYDYLPRIDAGRKLTDYFWLNIFEK--MDKGEFKGLFAWGMNPACGGAN

Target    WSFDVVKNTLPRQDAVFCNEWHWTSSCEY--------AD-----LVFPADSWAEFKLPDATASCTNPFLLAFPTTPLKRL
6sdv.1.A  --ANKNRKAMGKLEWLVNVNLFENETSSFWKGPGMNPAEIGTEVFFLPCCVSIEKE--GSV-ANSGRWMQW-RYRGPKPY

Target    YDTRSDYEALALTAKALGELIDEPRMEQYWRGILDGDPTPYLQRIFSGSNATRGITYDELHESSKRGVPLLMNMRTYPRS
6sdv.1.A  AETKPDGDIMLDMFKKVRE-------------------------------------------------------------

Target    GGWEQRQEDKPWYTATGRLEFYRPEPEFQAAGESLPVWREPVDATFYEPNAILSNAAHPSIAPRAPEDYGVPESQLDVET
6sdv.1.A  --------------------------------------------------------------------------------

Target    RQYRNVVRTWAELQQTLHPLQERDPAFRFVF
6sdv.1.A  -------------------------------

Model #05	File	Built with	Oligo-State	Ligands	GMQE	QMEANDisCo Global
	PDB	ProMod3 3.2.1	monomer	1 x 6MO: MOLYBDENUM(VI) ION;	0.26	0.45 ± 0.05

Template	Seq Identity	Oligo-state	QSQE	Found by	Method	Resolution	Seq Similarity	Range	Coverage	Description
3ir7.1.A	31.57	monomer	0.00	BLAST	X-ray	2.50Å	0.36	54 - 630	0.54	Respiratory nitrate reductase 1 alpha chain

Included Ligands

Ligand	Description
1 x 6MO	MOLYBDENUM(VI) ION

Excluded ligands

Ligand Name.Number	Reason for Exclusion	Description
AGA.5	Binding site not conserved.	(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE
F3S.9	Binding site not conserved.	FE3-S4 CLUSTER
HEM.10	Binding site not conserved.	PROTOPORPHYRIN IX CONTAINING FE
HEM.11	Binding site not conserved.	PROTOPORPHYRIN IX CONTAINING FE
MD1.1	Binding site not conserved.	PHOSPHORIC ACID 4-(2-AMINO-4-OXO-3,4,5,6,-TETRAHYDRO-PTERIDIN-6-YL)-2-HYDROXY-3,4-DIMERCAPTO-BUT-3-EN-YL ESTER GUANYLATE ESTER
MD1.2	Binding site not conserved.	PHOSPHORIC ACID 4-(2-AMINO-4-OXO-3,4,5,6,-TETRAHYDRO-PTERIDIN-6-YL)-2-HYDROXY-3,4-DIMERCAPTO-BUT-3-EN-YL ESTER GUANYLATE ESTER
SF4.3	Binding site not conserved.	IRON/SULFUR CLUSTER
SF4.6	Binding site not conserved.	IRON/SULFUR CLUSTER
SF4.7	Binding site not conserved.	IRON/SULFUR CLUSTER
SF4.8	Binding site not conserved.	IRON/SULFUR CLUSTER

Target    AQGVSRRQLLGRALALGSGAALADLLGPARFLSPAGAATAGAVVPGNPLRVMPDRTWEQIYRNQFEDDSTFVFTCAPNDT
3ir7.1.A  -----------------------------------------------------NRDWEDGYRQRWQHDKIVRSTHGVNCT

Target    HNCLLRAHVKNGVVVRISPTYGYGEATDLYGNRASHRWDPRTCQKGLILSRRFYSERRVKAPMIRKGF-KDWVEAGYPRN
3ir7.1.A  GSCSWKIYVKNGLVTWETQQTDYPRTRPDLPNH-----EPRGCPSGASYSWYLYSANRLKYPMMRKRLMKMWREAKALHS

Target    DDGTPQMDVT-----------LRGSDDWIRISWDEATTIAAKTMEDVARTFNGDEGARKLLAQGYHP--EMVEVMHGAGV
3ir7.1.A  DPVEAWASIIEDADKAKSFKQARGRGGFVRSSWQEVNELIAASNVYTIKNYGPDRVA------GFSPIPAMSMVSYASGA

Target    QALKLRGGMPLLGIGRIFGFYRFANMLALLDRKLRPDAPADEILGSRTFDNYAWHTDLPPGHPMVTGSQTVDFDLFSAEH
3ir7.1.A  RYLSLIGGTCL------------------------------------SF--YDWYCDLPPASPQTWGEQTDVPESADWYN

Target    TKLLLIIGMNWICTKMPDGHWIGDARLKGTRVIVISADYMPTANKADEVIILRPGTDAAFFLGVARELIEKGLYDRAA--
3ir7.1.A  SSYIIAWGSNVPQTRTPDAHFFTEVRYKGTKTVAVTPDYAEIAKLCDLWLAPKQGTDAAMALAMGHVMLREFHLDNPSQY

Target    ----VIERTDLPLLVRLDTGERLDARDVIPGYELAALTNYVTLKPDAEIKGNPP---PPPFTAGGQVVP--TELRDAWGD
3ir7.1.A  FTDYVRRYTDMPMLVMLE------ERD---GYYAAGRMLRAADLVDALGQENNPEWKTVAFNTNGEMVAPNGSIGFRWGE

Target    FVWW-----DRATGRPRPV------SRDEVGA----RFDGD-----------PALLGEFEV---ELVDGSTVPVRPAFDL
3ir7.1.A  KGKWNLEQRDGKTGEETELQLSLLGSQDEIAEVGFPYFGGDGTEHFNKVELENVLLHKLPVKRLQLADGSTALVTTVYDL

Target    ------LKQYLDE-----SFDLRTA------SEVCRVPPQAIQSIARQLAANKRET----LLAAGMGPNHYFQNDLFGRV
3ir7.1.A  TLANYGLERGLNDVNCATSYDDVKAYTPAWAEQITGVSRSQIIRIAREFADNADKTHGRSMIIVGAGLNHWYHLDMNYRG

Target    QFLVAALTDNIGHLGGNVGSYAGNYRGSVFQAMGQWIAEDPFAIEPDLTKPATVKRYYKAESAHYWNYGERPLRAVAKDD
3ir7.1.A  LINMLIFCGCVGQSGGGWAHYVGQEK---LRPQTGW---QPLAFALDWQRPA---RHMNSTSYFY---------------

Target    EGDLTKGEVLTGKSHMPTPTKLIWFGNSNSLLGNAKWSFDVVKNTLPRQDAVFCNEWHWTSSCEYADLVFPADSWAEFKL
3ir7.1.A  --------------------------------------------------------------------------------

Target    PDATASCTNPFLLAFPTTPLKRLYDTRSDYEALALTAKALGELIDEPRMEQYWRGILDGDPTPYLQRIFSGSNATRGITY
3ir7.1.A  --------------------------------------------------------------------------------

Target    DELHESSKRGVPLLMNMRTYPRSGGWEQRQEDKPWYTATGRLEFYRPEPEFQAAGESLPVWREPVDATFYEPNAILSNAA
3ir7.1.A  --------------------------------------------------------------------------------

Target    HPSIAPRAPEDYGVPESQLDVETRQYRNVVRTWAELQQTLHPLQERDPAFRFVF
3ir7.1.A  ------------------------------------------------------

Materials and Methods

Template Search

Template search with has been performed against the SWISS-MODEL template library (SMTL, last update: 2023-03-23, last included PDB release: 2023-03-17).

Template Selection

For each identified template, the template's quality has been predicted from features of the target-template alignment. The templates with the highest quality have then been selected for model building.

Model Building

Models are built based on the target-template alignment using ProMod3 (Studer et al.). Coordinates which are conserved between the target and the template are copied from the template to the model. Insertions and deletions are remodelled using a fragment library. Side chains are then rebuilt. Finally, the geometry of the resulting model is regularized by using a force field.

Model Quality Estimation

The global and per-residue model quality has been assessed using the QMEAN scoring function (Studer et al.).

Ligand Modelling

Ligands present in the template structure are transferred by homology to the model when the following criteria are met: (a) The ligands are annotated as biologically relevant in the template library, (b) the ligand is in contact with the model, (c) the ligand is not clashing with the protein, (d) the residues in contact with the ligand are conserved between the target and the template. If any of these four criteria is not satisfied, a certain ligand will not be included in the model. The model summary includes information on why and which ligand has not been included.

Oligomeric State Conservation

The quaternary structure annotation of the template is used to model the target sequence in its oligomeric form. The method (Bertoni et al.) is based on a supervised machine learning algorithm, Support Vector Machines (SVM), which combines interface conservation, structural clustering, and other template features to provide a quaternary structure quality estimate (QSQE). The QSQE score is a number between 0 and 1, reflecting the expected accuracy of the interchain contacts for a model built based a given alignment and template. Higher numbers indicate higher reliability. This complements the GMQE score which estimates the accuracy of the tertiary structure of the resulting model.

References

BLAST
Camacho, C., Coulouris, G., Avagyan, V., Ma, N., Papadopoulos, J., Bealer, K., Madden, T.L. BLAST+: architecture and applications. BMC Bioinformatics 10, 421-430 (2009).
HHblits
Steinegger, M., Meier, M., Mirdita, M., Vöhringer, H., Haunsberger, S. J., Söding, J. HH-suite3 for fast remote homology detection and deep protein annotation. BMC Bioinformatics 20, 473 (2019).

Table T1:

Primary amino acid sequence for which templates were searched and models were built.

AQGVSRRQLLGRALALGSGAALADLLGPARFLSPAGAATAGAVVPGNPLRVMPDRTWEQIYRNQFEDDSTFVFTCAPNDTHNCLLRAHVKNGVVVRISPT
YGYGEATDLYGNRASHRWDPRTCQKGLILSRRFYSERRVKAPMIRKGFKDWVEAGYPRNDDGTPQMDVTLRGSDDWIRISWDEATTIAAKTMEDVARTFN
GDEGARKLLAQGYHPEMVEVMHGAGVQALKLRGGMPLLGIGRIFGFYRFANMLALLDRKLRPDAPADEILGSRTFDNYAWHTDLPPGHPMVTGSQTVDFD
LFSAEHTKLLLIIGMNWICTKMPDGHWIGDARLKGTRVIVISADYMPTANKADEVIILRPGTDAAFFLGVARELIEKGLYDRAAVIERTDLPLLVRLDTG
ERLDARDVIPGYELAALTNYVTLKPDAEIKGNPPPPPFTAGGQVVPTELRDAWGDFVWWDRATGRPRPVSRDEVGARFDGDPALLGEFEVELVDGSTVPV
RPAFDLLKQYLDESFDLRTASEVCRVPPQAIQSIARQLAANKRETLLAAGMGPNHYFQNDLFGRVQFLVAALTDNIGHLGGNVGSYAGNYRGSVFQAMGQ
WIAEDPFAIEPDLTKPATVKRYYKAESAHYWNYGERPLRAVAKDDEGDLTKGEVLTGKSHMPTPTKLIWFGNSNSLLGNAKWSFDVVKNTLPRQDAVFCN
EWHWTSSCEYADLVFPADSWAEFKLPDATASCTNPFLLAFPTTPLKRLYDTRSDYEALALTAKALGELIDEPRMEQYWRGILDGDPTPYLQRIFSGSNAT
RGITYDELHESSKRGVPLLMNMRTYPRSGGWEQRQEDKPWYTATGRLEFYRPEPEFQAAGESLPVWREPVDATFYEPNAILSNAAHPSIAPRAPEDYGVP
ESQLDVETRQYRNVVRTWAELQQTLHPLQERDPAFRFVF

Table T2:

Template	Seq Identity	Oligo-state	QSQE	Found by	Method	Resolution	Seq Similarity	Coverage	Description
7b04.1.B	41.29	monomer	-	BLAST	X-ray	2.97Å	0.41	0.91	Nitrite oxidoreductase subunit A
7b04.2.B	41.29	monomer	-	BLAST	X-ray	2.97Å	0.41	0.91	Nitrite oxidoreductase subunit A
7b04.1.B	39.66	monomer	-	HHblits	X-ray	2.97Å	0.40	0.95	Nitrite oxidoreductase subunit A
7b04.2.B	39.66	monomer	-	HHblits	X-ray	2.97Å	0.40	0.95	Nitrite oxidoreductase subunit A
5e7o.1.A	26.60	monomer	-	HHblits	X-ray	2.40Å	0.33	0.75	DMSO reductase family type II enzyme, molybdopterin subunit
4ydd.1.A	26.60	monomer	-	HHblits	X-ray	1.86Å	0.34	0.75	DMSO reductase family type II enzyme, molybdopterin subunit
2ivf.1.A	25.73	monomer	-	HHblits	X-ray	1.88Å	0.32	0.80	ETHYLBENZENE DEHYDROGENASE ALPHA-SUBUNIT
4ydd.1.A	30.14	monomer	-	BLAST	X-ray	1.86Å	0.36	0.75	DMSO reductase family type II enzyme, molybdopterin subunit
5e7o.1.A	30.14	monomer	-	BLAST	X-ray	2.40Å	0.36	0.75	DMSO reductase family type II enzyme, molybdopterin subunit
3ir5.1.A	25.36	monomer	-	HHblits	X-ray	2.30Å	0.33	0.67	Respiratory nitrate reductase 1 alpha chain
1q16.1.A	25.56	monomer	-	HHblits	X-ray	1.90Å	0.33	0.67	Respiratory nitrate reductase 1 alpha chain
1r27.4.A	24.16	homo-dimer	0.19	HHblits	X-ray	2.00Å	0.32	0.70	Respiratory nitrate reductase 1 alpha chain
3ir7.1.A	24.01	monomer	-	HHblits	X-ray	2.50Å	0.32	0.70	Respiratory nitrate reductase 1 alpha chain
3egw.1.A	24.84	homo-dimer	0.17	HHblits	X-ray	1.90Å	0.32	0.67	Respiratory nitrate reductase 1 alpha chain
3ir6.1.A	24.20	monomer	-	HHblits	X-ray	2.80Å	0.32	0.70	Respiratory nitrate reductase 1 alpha chain
2iv2.1.A	20.18	monomer	-	HHblits	X-ray	2.27Å	0.31	0.59	Formate dehydrogenase H
1aa6.1.A	20.18	monomer	-	HHblits	X-ray	2.30Å	0.31	0.59	FORMATE DEHYDROGENASE H
1e60.1.A	21.31	monomer	-	HHblits	X-ray	2.00Å	0.30	0.65	Dimethyl sulfoxide/trimethylamine N-oxide reductase
1fdo.1.A	20.18	monomer	-	HHblits	X-ray	2.80Å	0.31	0.59	FORMATE DEHYDROGENASE H
7z0t.1.G	20.18	monomer	-	HHblits	EM	NA	0.31	0.59	Formate dehydrogenase H
4dmr.1.A	21.02	monomer	-	HHblits	X-ray	1.90Å	0.30	0.65	DMSO REDUCTASE
1e5v.2.A	21.55	monomer	-	HHblits	X-ray	2.40Å	0.30	0.65	Dimethyl sulfoxide/trimethylamine N-oxide reductase
6sdv.1.A	18.11	monomer	-	HHblits	X-ray	1.90Å	0.29	0.64	Formate dehydrogenase, alpha subunit, selenocysteine-containing,Formate dehydrogenase, alpha subunit, selenocysteine-containing,W-formate dehydrogenase - alpha subunit
6sdr.1.A	18.18	monomer	-	HHblits	X-ray	2.10Å	0.29	0.64	Formate dehydrogenase, alpha subunit, selenocysteine-containing
1e18.1.A	21.88	monomer	-	HHblits	X-ray	2.00Å	0.30	0.65	DMSO REDUCTASE.
8bqg.1.A	18.52	monomer	-	HHblits	X-ray	1.95Å	0.29	0.60	Formate dehydrogenase, alpha subunit, selenocysteine-containing
7l5s.1.A	22.85	monomer	-	HHblits	X-ray	2.09Å	0.31	0.55	Trimethylamine-N-oxide reductase
7l5i.1.A	22.85	monomer	-	HHblits	X-ray	1.73Å	0.31	0.55	Trimethylamine-N-oxide reductase
2ivf.1.A	35.66	monomer	-	BLAST	X-ray	1.88Å	0.38	0.44	ETHYLBENZENE DEHYDROGENASE ALPHA-SUBUNIT
3egw.1.A	31.94	homo-dimer	0.09	BLAST	X-ray	1.90Å	0.36	0.54	Respiratory nitrate reductase 1 alpha chain
3ir7.1.A	31.57	monomer	-	BLAST	X-ray	2.50Å	0.36	0.54	Respiratory nitrate reductase 1 alpha chain
3ir5.1.A	31.76	monomer	-	BLAST	X-ray	2.30Å	0.36	0.54	Respiratory nitrate reductase 1 alpha chain
1q16.1.A	31.57	monomer	-	BLAST	X-ray	1.90Å	0.36	0.54	Respiratory nitrate reductase 1 alpha chain
1r27.4.A	31.57	homo-dimer	0.09	BLAST	X-ray	2.00Å	0.36	0.54	Respiratory nitrate reductase 1 alpha chain
3ir6.1.A	31.57	monomer	-	BLAST	X-ray	2.80Å	0.36	0.54	Respiratory nitrate reductase 1 alpha chain
7nz1.1.E	18.31	monomer	-	HHblits	EM	NA	0.27	0.47	NADH-quinone oxidoreductase subunit G
7p63.1.C	18.76	monomer	-	HHblits	EM	NA	0.28	0.47	NADH-quinone oxidoreductase
7p61.1.C	18.54	monomer	-	HHblits	EM	NA	0.27	0.47	NADH-quinone oxidoreductase
6yj4.1.G	17.23	monomer	-	HHblits	EM	NA	0.29	0.44	Subunit NUAM of NADH:Ubiquinone Oxidoreductase (Complex I)
6rfs.1.A	17.23	monomer	-	HHblits	EM	4.04Å	0.29	0.44	Subunit NUAM of NADH:Ubiquinone Oxidoreductase (Complex I)
6rfq.1.A	17.23	monomer	-	HHblits	EM	3.30Å	0.29	0.44	Subunit NUAM of NADH:Ubiquinone Oxidoreductase (Complex I)
6gcs.1.A	17.23	monomer	-	HHblits	EM	4.32Å	0.29	0.44	75-KDA PROTEIN (NUAM)
6zk9.1.C	13.37	monomer	-	HHblits	EM	NA	0.27	0.45	NADH:ubiquinone oxidoreductase core subunit S1
7zd6.1.4	13.37	monomer	-	HHblits	EM	NA	0.27	0.45	NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial
6qc5.1.C	13.40	monomer	-	HHblits	EM	NA	0.27	0.45	NADH:ubiquinone oxidoreductase core subunit S1
6qcf.1.C	13.40	monomer	-	HHblits	EM	NA	0.27	0.45	NADH:ubiquinone oxidoreductase core subunit S1
7qsd.1.G	13.40	monomer	-	HHblits	EM	NA	0.27	0.45	NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial
7vxu.1.L	13.16	monomer	-	HHblits	EM	NA	0.27	0.45	NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial
5o31.1.8	13.60	monomer	-	HHblits	EM	4.13Å	0.27	0.45	NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial
7dgr.10.A	13.60	monomer	-	HHblits	EM	NA	0.27	0.45	NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

The table above shows the top 50 filtered templates. A further 281 templates were found which were considered to be less suitable for modelling than the filtered list.
1aa6.1.A, 1be3.1.E, 1bgy.1.P, 1dms.1.A, 1e18.1.A, 1e5v.2.A, 1e60.1.A, 1eu1.1.A, 1fdo.1.A, 1g8j.1.A, 1g8k.1.A, 1h0h.1.A, 1ici.1.A, 1jeo.1.A, 1kb9.1.E, 1kqf.1.A, 1kqf.1.B, 1l0l.1.E, 1l0n.1.E, 1m2g.1.A, 1m2h.1.A, 1m2j.1.A, 1m2k.1.A, 1m2n.1.A, 1m2n.1.B, 1ma3.1.A, 1ntk.1.E, 1ntm.1.E, 1ogy.1.A, 1q16.1.A, 1q90.1.E, 1r27.4.A, 1s5p.1.A, 1s7g.1.A, 1s7g.1.B, 1s7g.1.C, 1s7g.1.D, 1s7g.1.E, 1sqb.1.E, 1sqp.1.P, 1sqq.1.P, 1sqv.1.E, 1tmo.1.A, 1vf5.1.D, 1vf5.1.L, 1x94.1.A, 1x94.1.B, 1yc5.1.A, 2a3n.1.A, 2b4y.1.A, 2b4y.3.A, 2d2c.1.D, 2d2c.1.L, 2e75.1.D, 2e76.1.D, 2e7z.1.A, 2fug.2.C, 2fyn.1.C, 2fyn.2.C, 2fyu.1.E, 2h2i.1.A, 2h4h.1.A, 2h59.1.B, 2i2w.1.A, 2i2w.2.B, 2iv2.1.A, 2ivf.1.A, 2nya.1.A, 2nyr.1.A, 2nyr.1.B, 2pq4.1.B, 2qjk.1.C, 2qjp.1.C, 2qjy.3.F, 2v3v.1.A, 2v45.1.A, 2vpx.1.D, 2vpz.1.A, 2x3y.1.A, 2ybb.1.b, 3cf4.1.B, 3cwb.1.E, 3egw.1.A, 3etn.1.A, 3eua.1.A, 3fj1.1.A, 3fxa.1.A, 3h1h.1.E, 3h1h.1.O, 3h1i.1.E, 3ir5.1.A, 3ir6.1.A, 3ir7.1.A, 3jr3.1.A, 3jwp.1.A, 3k35.1.A, 3l75.1.E, 3l75.1.O, 3m9s.1.C, 3o5a.1.A, 3pki.1.A, 3riy.2.A, 3sho.1.A, 3sho.1.C, 3u31.1.A, 3zg6.1.A, 4aay.1.A, 4bv2.3.A, 4dmr.1.A, 4g1c.1.A, 4g1c.2.A, 4h44.1.D, 4hda.1.A, 4hda.2.A, 4ivn.1.A, 4nvs.1.A, 4ogq.1.L, 4pv1.1.L, 4twi.1.A, 4twj.1.A, 4u3f.1.E, 4utn.1.A, 4utn.2.A, 4v4c.1.A, 4wd3.1.A, 4ydd.1.A, 5bwl.1.A, 5e7o.1.A, 5gpn.24.A, 5j8k.55.A, 5kkz.1.C, 5kli.1.C, 5klv.1.P, 5lu5.1.A, 5lu6.1.A, 5lu7.1.A, 5mf6.1.A, 5nqd.1.A, 5o31.1.8, 5oj7.1.A, 5ojn.1.A, 5okd.1.E, 5t5i.1.B, 5x16.1.A, 5xhs.1.A, 5xtb.1.L, 5xte.1.C, 5y2f.1.A, 6aco.1.A, 6acp.1.A, 6adq.1.L, 6btm.1.B, 6cz7.1.A, 6enx.1.A, 6eo0.1.A, 6eqs.3.A, 6f0k.1.B, 6fky.1.A, 6fky.2.A, 6flg.1.A, 6g72.1.G, 6gcs.1.A, 6giq.1.E, 6hu9.1.E, 6ljk.1.A, 6ljm.1.A, 6lod.1.B, 6nhg.1.E, 6nin.1.C, 6q8o.1.C, 6q9e.1.E, 6q9e.1.O, 6qbx.15.A, 6qbx.5.A, 6qc2.33.A, 6qc2.43.A, 6qc3.15.A, 6qc3.5.A, 6qc4.15.A, 6qc4.5.A, 6qc5.1.C, 6qcf.1.C, 6rfq.1.A, 6rfs.1.A, 6rxj.1.A, 6rxm.1.A, 6rxm.2.A, 6rxm.3.A, 6rxm.4.A, 6rxm.5.A, 6rxm.6.A, 6rxo.1.A, 6rxo.2.A, 6rxp.2.A, 6rxq.4.A, 6rxs.1.A, 6s6y.1.B, 6sdr.1.A, 6sdv.1.A, 6t0b.1.E, 6t0b.1.O, 6t15.1.E, 6t15.1.O, 6tg9.1.A, 6x89.1.H, 6xvg.3.A, 6yj4.1.G, 6ymx.1.Q, 6ymx.1.Z, 6ziy.1.C, 6zjl.1.C, 6zjn.1.C, 6zjy.1.C, 6zk9.1.C, 6zr2.1.G, 7a23.1.O, 7ak5.1.G, 7ak6.1.G, 7aqr.1.F, 7ar7.1.G, 7ar8.1.G, 7arc.1.F, 7b04.1.B, 7b04.2.B, 7bkb.1.F, 7bkb.1.L, 7cl0.1.A, 7dgr.10.A, 7dgr.60.A, 7dgs.50.A, 7dgs.60.A, 7e1v.1.P, 7e5z.1.A, 7en5.1.A, 7en6.1.A, 7en6.1.B, 7en6.1.C, 7en6.1.D, 7l5i.1.A, 7l5s.1.A, 7nz1.1.E, 7o37.1.E, 7o37.1.O, 7o3c.1.E, 7o3c.1.O, 7o3h.1.E, 7o3h.1.O, 7p61.1.C, 7p63.1.C, 7q5y.1.A, 7qsd.1.G, 7qv7.1.L, 7qv7.1.O, 7r0w.1.L, 7r0w.1.Q, 7rh5.1.V, 7rja.1.H, 7rjb.1.I, 7t2r.1.A, 7t30.1.A, 7tce.2.F, 7tgh.58.A, 7tlj.1.C, 7tz6.1.E, 7tz6.1.P, 7v2c.1.L, 7vw6.1.A, 7vxu.1.L, 7z0t.1.G, 7zd6.1.4, 7zm7.1.I, 7zxy.1.D, 7zxy.1.L, 8asi.1.A, 8asi.1.E, 8asj.1.E, 8b9z.1.G, 8ba0.1.G, 8bqg.1.A, 8e73.55.A, 8e9g.1.G

Model Building Report

Results

Models

Model #02

Included Ligands

Excluded ligands

Model #01

Included Ligands

Excluded ligands

Model #03

Included Ligands

Excluded ligands

Model #04

Excluded ligands

Model #05

Included Ligands

Excluded ligands

Materials and Methods

Template Search

Template Selection

Model Building

Model Quality Estimation

Ligand Modelling

Oligomeric State Conservation

References

Table T1:

Table T2: