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Submission info:

Task mode - Auto - Quick path - Rosetta loop modeling: Fast
Username:(not provided)Set of templates:inactive
Task token:af79106314174320ae6d519b15654324Lysozyme included:no
Date of submission:03/12/18 08:24 PMRun time:0d 8h 17m
Date started:03/12/18 08:24 PMBranch cutoff:0.01
Date finished:03/13/18 04:42 AMMin e-value:1e-100
Query length:319Max e-value:1e-10

Query sequence:
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Results:


MODE: Quick path

Template selection:
TemplateClustalW2 ScoreIdentityGlobal SimilaritySelectedViewDownload
human opioid 12 (_ et al., 2018)
6B73_A
2623.3640.209YesViewDownload
human opioid tructure of the human kappa-opioid receptor in complex with JDTic (Wu et al., 2012)
4DJH_A
2523.5290.202YesViewDownload
human beta-adrenergic beta2AR-T4L - CIM (Ma et al., 2017)
5D6L_A
2522.9810.189NoViewDownload
human beta2-adrenergic 'High-resolution crystal structure of an engineered human beta2-adrenergic G protein-coupled receptor.' (Cherezov et al., 2007)
2RH1_A
2522.9810.188NoViewDownload
human opioid Structural basis for bifunctional peptide recognition at human delta-opioid receptor. (Fenalti et al., 2015)
4RWD_A
2523.6760.182NoViewDownload
human beta-adrenergic Allosteric nanobodies reveal the dynamic range and diverse mechanisms of G-protein-coupled receptor activation. (Staus et al., 2016)
5JQH_A
2422.9810.187NoViewDownload
mouse opioid Structure of the delta opioid receptor bound to naltrindole (Granier et al., 2012)
4EJ4_A
2522.7410.183NoViewDownload
human opioid Molecular control of delta-opioid receptor signalling. (Fenalti et al., 2014)
4N6H_A
2523.6760.177NoViewDownload
human opioid Structural basis for bifunctional peptide recognition at human delta-opioid receptor. (Fenalti et al., 2015)
4RWA_A
2522.7410.18NoViewDownload
human nociceptin The Importance of Ligand-Receptor Conformational Pairs in Stabilization: Spotlight on the N/OFQ G Protein-Coupled Receptor. (Miller et al., 2015)
5DHH_A
2522.2570.18NoViewDownload
human nociceptin The Importance of Ligand-Receptor Conformational Pairs in Stabilization: Spotlight on the N/OFQ G Protein-Coupled Receptor. (Miller et al., 2015)
5DHG_A
2522.2570.178NoViewDownload
human nociceptin Structure of the nociceptin/orphanin FQ receptor in complex with a peptide mimetic. (Thompson et al., 2012)
4EA3_A
2521.9440.178NoViewDownload
mouse opioid Crystal structure of the {mu}-opioid receptor bound to a morphinan antagonist. (Manglik et al., 2012)
4DKL_A
2421.1840.179NoViewDownload
turkey beta1-adrenergic 'Structure of a Beta1-Adrenergic G-Protein-Coupled Receptor.' (Warne et al., 2008)
2VT4_B
2421.7390.177NoViewDownload
human dopamine 'Structure of the human dopamine d3 receptor in complex with a d2/d3 selective antagonist.' (Chien et al., 2010)
3PBL_A
2721.2310.155NoViewDownload
turkey beta-adrenergic Ligand occupancy in crystal structure of Beta1 adrenergic G protein coupled receptor (Leslie et al., 2015)
5F8U_A
2421.7390.174NoViewDownload
human angiotensin-AT2R Structural Basis for Selectivity and Functional Diversity in Angiotensin II Receptors (Zhang et al., 2017)
5UNG_B
2321.1480.156NoViewDownload
bovine rhodopsin Crystal structure of metarhodopsin II. (Choe et al., 2011)
3PQR_A
2220.0590.146NoViewDownload
human angiotensin-AT1R Structure of the Angiotensin receptor revealed by serial femtosecond crystallography. (Zhang et al., 2015)
4YAY_A
2319.6970.145NoViewDownload
human chemokine_CXC Structural biology. Crystal structure of the chemokine receptor CXCR4 in complex with a viral chemokine. (Qin et al., 2015)
4RWS_A
2320.00.136NoViewDownload
bovine rhodopsin 'The retinal conformation and its environment in rhodopsin in light of a new 2.2 A crystal structure' (Okada et al., 2004)
1U19_A
2219.4920.143NoViewDownload
human adenosine Crystal structure of the adenosine A2A receptor bound to an antagonist reveals a potential allosteric pocket. (Sun et al., 2017)
5UIG_A
2419.9380.107NoViewDownload
human chemokine_CC Structure of CC chemokine receptor 2 with orthosteric and allosteric antagonists. (Zheng et al., 2016)
5T1A_A
2418.8450.125NoViewDownload
human angiotensin-AT1R Structural Basis for Ligand Recognition and Functional Selectivity at Angiotensin Receptor. (Zhang et al., 2015)
4ZUD_A
2318.4850.129NoViewDownload
human histamine 'Structure of the human histamine H1 receptor complex with doxepin.' (Shimamura et al., 2011)
3RZE_A
2218.380.131NoViewDownload
human chemokine_CC Structure of the CCR5 chemokine receptor-HIV entry inhibitor maraviroc complex. (Tan et al., 2013)
4MBS_A
2018.5410.129NoViewDownload
human chemokine_CC Intracellular allosteric antagonism of the CCR9 receptor. (Oswald et al., 2016)
5LWE_A
2218.9760.116NoViewDownload
human adenosine Structural basis for allosteric regulation of GPCRs by sodium ions. (Liu et al., 2012)
4EIY_A
2319.0330.1NoViewDownload
human adenosine 'The 2.6 Angstrom Crystal Structure of a Human A2A Adenosine Receptor Bound to an Antagonist.' (Jaakola et al., 2008)
3EML_A
2219.4440.099NoViewDownload
human purinergic_P2Y1 Two disparate ligand-binding sites in the human P2Y1 receptor (Zhang et al., 2015)
4XNW_A
2017.910.127NoViewDownload
human endothelin Activation mechanism of endothelin ETB receptor by endothelin-1. (Shihoya et al., 2016)
5GLI_A
1918.6590.12NoViewDownload
human muscarinic Structure of the human M2 muscarinic acetylcholine receptor bound to an antagonist. (Haga et al., 2012)
3UON_A
2117.9010.124NoViewDownload
human protease-activated Structural insight into allosteric modulation of protease-activated receptor 2. (Cheng et al., 2017)
5NDD_A
1918.2660.122NoViewDownload
human adenosine Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength. (Segala et al., 2016)
5IU4_A
2318.7310.094NoViewDownload
human cannabinoid Crystal Structure of the Human Cannabinoid Receptor CB1. (Hua et al., 2016)
5TGZ_A
2018.9440.098NoViewDownload
human purinergic_P2Y1 Two disparate ligand-binding sites in the human P2Y1 receptor (Zhang et al., 2015)
4XNV_A
2017.6120.122NoViewDownload
rat muscarinic Structure and dynamics of the M3 muscarinic acetylcholine receptor. (Kruse et al., 2012)
4DAJ_A
2517.5930.118NoViewDownload
human endothelin Activation mechanism of endothelin ETB receptor by endothelin-1. (Shihoya et al., 2016)
5GLH_A
1917.5950.119NoViewDownload
human adenosine Structure of the Adenosine A1 Receptor Reveals the Basis for Subtype Selectivity. (Glukhova et al., 2017)
5UEN_A
2017.5230.087NoViewDownload
human purinergic_P2Y12 Structure of the human P2Y12 receptor in complex with an antithrombotic drug (Zhang et al., 2014)
4NTJ_A
1916.820.082NoViewDownload
human cannabinoid High-resolution crystal structure of the human CB1 cannabinoid receptor. (Shao et al., 2016)
5U09_A
1717.3910.077NoViewDownload
human purinergic_P2Y12 Agonist-bound structure of the human P2Y12 receptor (Zhang et al., 2014)
4PY0_A
1716.7680.074NoViewDownload
human sphingosine Crystal structure of a lipid G protein-coupled receptor. (Hanson et al., 2012)
3V2Y_A
1916.9180.051NoViewDownload
human purinergic_P2Y12 Agonist-bound structure of the human P2Y12 receptor (Zhang et al., 2014)
4PXZ_A
1816.7170.069NoViewDownload
human lysophosphatidic-acid Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1. (Chrencik et al., 2015)
4Z35_A
1814.8940.055NoViewDownload
human lysophosphatidic-acid Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1. (Chrencik et al., 2015)
4Z34_A
1814.7590.055NoViewDownload
human lysophosphatidic-acid Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1. (Chrencik et al., 2015)
4Z36_A
1814.8940.053NoViewDownload
human glucagon-like Human GLP-1 receptor transmembrane domain structure in complex with allosteric modulators (Song et al., 2017)
5VEX_A
1611.285-0.021NoViewDownload
human corticotropin Structure of class B GPCR corticotropin-releasing factor receptor 1. (Hollenstein et al., 2013)
4K5Y_A
1211.599-0.013NoViewDownload
human glucagon-like Human GLP-1 receptor transmembrane domain structure in complex with allosteric modulators. (Song et al., 2017)
5VEW_A
1611.285-0.021NoViewDownload
human corticotropin Decoding Corticotropin-Releasing Factor Receptor Type 1 Crystal Structures (Dore et al., ?)
4Z9G_A
1111.912-0.024NoViewDownload
human glutamate5 Structure of class C GPCR metabotropic glutamate receptor 5 transmembrane domain. (Dore et al., 2014)
4OO9_A
139.907-0.04NoViewDownload
human glucagon-like Crystal structure of the GLP-1 receptor bound to a peptide agonist. (Jazayeri et al., 2017)
5NX2_A
119.346-0.024NoViewDownload
human glutamate5 Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile). (Christopher et al., 2015)
5CGC_A
129.538-0.042NoViewDownload
human glutamate5 Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile). (Christopher et al., 2015)
5CGD_A
129.231-0.042NoViewDownload
rabbit glucagon Cryo-EM structure of the activated GLP-1 receptor in complex with a G protein. (Zhang et al., 2017)
5VAI_R
109.133-0.034NoViewDownload
human glucagon Extra-helical binding site of a glucagon receptor antagonist. (Jazayeri et al., 2016)
5EE7_A
88.411-0.032NoViewDownload
human glucagon Structure of the human glucagon class B G-protein-coupled receptor. (Siu et al., 2013)
4L6R_A
69.657-0.047NoViewDownload
human glutamate1 Structure of a class C GPCR metabotropic glutamate receptor 1 bound to an allosteric modulator (Wu et al., 2014)
4OR2_A
87.385-0.068NoViewDownload
human glucagon Structure of the full-length glucagon class B G-protein-coupled receptor. (Zhang et al., 2017)
5XF1_A
77.042-0.058NoViewDownload
human glucagon Structure of the Full-length glucagon class B G protein-coupled receptor (Zhang et al., 2017)
5XEZ_A
77.042-0.058NoViewDownload
human smoothened Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs. (Wang et al., 2014)
4QIM_A
76.266-0.092NoViewDownload
human smoothened Structure of the human smoothened receptor bound to an antitumour agent. (Wang et al., 2013)
4JKV_A
76.486-0.1NoViewDownload
human smoothened Lipidic cubic phase injector facilitates membrane protein serial femtosecond crystallography. (Weierstall et al., 2014)
4O9R_A
76.166-0.089NoViewDownload
human smoothened Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs. (Wang et al., 2014)
4QIN_A
76.216-0.098NoViewDownload
human smoothened Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs. (Wang et al., 2014)
4N4W_A
66.199-0.101NoViewDownload
human smoothened_N-domain Structural basis of Smoothened regulation by its extracellular domains. (Byrne et al., 2016)
5L7I_A
84.545-0.103NoViewDownload
Download table

Alignments generated with selected templates:
TemplateAlignment MethodIdentityGlobal SimilarityNon-anchored alignmentAnchored AlignmentNon-anchored AlignmentAnchored AlignmentSelected
human opioid 12 (_ et al., 2018)
6B73_A
profile-profile22.3930.194ViewViewDownloadDownloadNo
human opioid 12 (_ et al., 2018)
6B73_A
multiple SA23.3640.209ViewViewDownloadDownloadYes
human opioid 12 (_ et al., 2018)
6B73_A
simple pairwise SA23.3640.204ViewViewDownloadDownloadNo
human opioid tructure of the human kappa-opioid receptor in complex with JDTic (Wu et al., 2012)
4DJH_A
profile-profile22.9360.202ViewViewDownloadDownloadNo
human opioid tructure of the human kappa-opioid receptor in complex with JDTic (Wu et al., 2012)
4DJH_A
multiple SA23.220.205ViewViewDownloadDownloadYes
human opioid tructure of the human kappa-opioid receptor in complex with JDTic (Wu et al., 2012)
4DJH_A
simple pairwise SA22.6010.197ViewViewDownloadDownloadNo
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Final Alignment:
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Final Alignment in the PIR format:
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Loops to be refined (Modeller):
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Generated Modeller Models:
PDB file:Model DOPE ScoreLoop DOPE ScoreModel ViewerDownload PDB
gpcrm_model_01.pdb-40137.91797-8753.19141NGL JSmolDownload
gpcrm_model_02.pdb-39951.51953-8229.49414NGL JSmolDownload
gpcrm_model_03.pdb-39886.41406-8177.39941NGL JSmolDownload
gpcrm_model_04.pdb-39783.48047-8571.86035NGL JSmolDownload
gpcrm_model_05.pdb-39724.39844-8388.11133NGL JSmolDownload
gpcrm_model_06.pdb-39679.12500-9051.24023NGL JSmolDownload
gpcrm_model_07.pdb-39661.20703-8718.89258NGL JSmolDownload
gpcrm_model_08.pdb-39639.05078-7556.40625NGL JSmolDownload
gpcrm_model_09.pdb-39585.09375-7298.60205NGL JSmolDownload
gpcrm_model_10.pdb-39474.43359-8664.03223NGL JSmolDownload
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Loops to be refined (Rosetta):
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Generated Rosetta Models (sorted by BCL score):
PDB file:Rosetta Total EnergyRosettaMP ScoreBCL::ScoreModel ViewerDownload PDB
gpcrm_model_b01.pdb1107.84 (11)469.434 (11)-3308.35 (1)NGL JSmolDownload
gpcrm_model_b02.pdb1331.39 (22)667.916 (23)-3281.08 (2)NGL JSmolDownload
gpcrm_model_b03.pdb1555.04 (31)852.833 (33)-3260.28 (3)NGL JSmolDownload
gpcrm_model_b04.pdb2185.42 (47)1352.287 (47)-3240.22 (4)NGL JSmolDownload
gpcrm_model_b05.pdb4137.89 (49)2896.6 (49)-3237.92 (5)NGL JSmolDownload
gpcrm_model_b06.pdb1903.22 (40)1104.983 (40)-3235.71 (6)NGL JSmolDownload
gpcrm_model_b07.pdb1576.49 (32)846.621 (31)-3232.19 (7)NGL JSmolDownload
gpcrm_model_b08.pdb1020.6 (4)415.163 (6)-3218.87 (8)NGL JSmolDownload
gpcrm_model_b09.pdb4537.63 (50)3240.098 (50)-3207.91 (9)NGL JSmolDownload
gpcrm_model_b10.pdb1178.85 (14)509.499 (14)-3206.79 (10)NGL JSmolDownload
Download table

Generated Rosetta Models (sorted by RosettaMP score):
PDB file:Rosetta Total EnergyRosettaMP ScoreBCL::ScoreModel ViewerDownload PDB
gpcrm_model_mp01.pdb982.501 (1)369.07 (1)-3111.01 (28)NGL JSmolDownload
gpcrm_model_mp02.pdb998.713 (2)380.788 (2)-2959.27 (45)NGL JSmolDownload
gpcrm_model_mp03.pdb1008.36 (3)399.107 (3)-3195.84 (15)NGL JSmolDownload
gpcrm_model_mp04.pdb1023.15 (5)405.762 (4)-3019.17 (38)NGL JSmolDownload
gpcrm_model_mp05.pdb1035.33 (6)413.883 (5)-3132.63 (25)NGL JSmolDownload
gpcrm_model_mp06.pdb1020.6 (4)415.163 (6)-3218.87 (8)NGL JSmolDownload
gpcrm_model_mp07.pdb1084.68 (8)451.836 (7)-3204.59 (12)NGL JSmolDownload
gpcrm_model_mp08.pdb1058.72 (7)460.168 (8)-2930.18 (47)NGL JSmolDownload
gpcrm_model_mp09.pdb1087.88 (9)461.439 (9)-3102.58 (31)NGL JSmolDownload
gpcrm_model_mp10.pdb1097.48 (10)462.786 (10)-3156.78 (19)NGL JSmolDownload
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Generated Rosetta Models (sorted by Rosetta total energy):
PDB file:Rosetta Total EnergyRosettaMP ScoreBCL::ScoreModel ViewerDownload PDB
gpcrm_model_r01.pdb982.501 (1)369.07 (1)-3111.01 (28)NGL JSmolDownload
gpcrm_model_r02.pdb998.713 (2)380.788 (2)-2959.27 (45)NGL JSmolDownload
gpcrm_model_r03.pdb1008.36 (3)399.107 (3)-3195.84 (15)NGL JSmolDownload
gpcrm_model_r04.pdb1020.6 (4)415.163 (6)-3218.87 (8)NGL JSmolDownload
gpcrm_model_r05.pdb1023.15 (5)405.762 (4)-3019.17 (38)NGL JSmolDownload
gpcrm_model_r06.pdb1035.33 (6)413.883 (5)-3132.63 (25)NGL JSmolDownload
gpcrm_model_r07.pdb1058.72 (7)460.168 (8)-2930.18 (47)NGL JSmolDownload
gpcrm_model_r08.pdb1084.68 (8)451.836 (7)-3204.59 (12)NGL JSmolDownload
gpcrm_model_r09.pdb1087.88 (9)461.439 (9)-3102.58 (31)NGL JSmolDownload
gpcrm_model_r10.pdb1097.48 (10)462.786 (10)-3156.78 (19)NGL JSmolDownload
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Sequences in the query profile. Sequences are sorted by e-value in descending order. The first sequence in the file is your query sequence.
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Anchored realignment - a log file.
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Modeller run script (1)
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Modeller run script (2)
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Modeller Run - a log file.
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Rosetta Run - a log file.
File missing: rosetta/rosetta.log. Sorry.

Alignments & Models - zip file.
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