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# D-I-TASSER results for Q96P67

#### [Click result.zip to download all results on this page]

Summary of the Protein

Uniprot ID: Q96P67
Protein Name: Probable G-protein coupled receptor 82
Gene Name: GPR82

Input Sequence in FASTA format

>Q96P67 (336 residues) MNNNTTCIQPSMISSMALPIIYILLCIVGVFGNTLSQWIFLTKIGKKTSTHIYLSHLVTA NLLVCSAMPFMSIYFLKGFQWEYQSAQCRVVNFLGTLSMHASMFVSLLILSWIAISRYAT LMQKDSSQETTSCYEKIFYGHLLKKFRQPNFARKLCIYIWGVVLGIIIPVTVYYSVIEAT EGEESLCYNRQMELGAMISQIAGLIGTTFIGFSFLVVLTSYYSFVSHLRKIRTCTSIMEK DLTYSSVKRHLLVIQILLIVCFLPYSIFKPIFYVLHQRDNCQQLNYLIETKNILTCLASA RSSTDPIIFLLLDKTFKKTLYNLFTKSNSAHMQSYG

Predicted Contact and Distance Map Used in D-I-TASSER simulation

Contact Map | Distance Map

D-I-TASSER simulation is guided by the consensus contact map (left figure) and distance map (right figure) derived based on confidence scores of DeepPotential. In the contact, distance map and hydrogen bond networks, the axes mark the residue index along the sequence. For the contact map, each dot represents a residue pair with predicted contact, while for the distance map and hydrogen bond network, a color scale represents a distance of 1-20+ angstroms or a angle of 0-180 degree.

Information of Domain

No. of Domain | Domain | Domain Boundary | Length of Domain | Models of Domain | Sequence
1 | Q96P67-D1 | 1-336 | 336 |  | MNNNTTCIQPSMISSMALPIIYILLCIVGVFGNTLSQWIFLTKIGKKTSTHIYLSHLVTANLLVCSAMPFMSIYFLKGFQWEYQSAQCRVVNFLGTLSMHASMFVSLLILSWIAISRYATLMQKDSSQETTSCYEKIFYGHLLKKFRQPNFARKLCIYIWGVVLGIIIPVTVYYSVIEATEGEESLCYNRQMELGAMISQIAGLIGTTFIGFSFLVVLTSYYSFVSHLRKIRTCTSIMEKDLTYSSVKRHLLVIQILLIVCFLPYSIFKPIFYVLHQRDNCQQLNYLIETKNILTCLASARSSTDPIIFLLLDKTFKKTLYNLFTKSNSAHMQSYG

Top 1 final models from D-I-TASSER

Click to view | Ranka | Download | Estimated TM-scoreb
| 1 | model1.pdb.gz | 0.8335
(a) | D-I-TASSER simulations generate a large ensemble of structural conformations, i.e. decoys. These decoys are clustered by SPICKER based on pairwise structure similarity to report up to five final models from the five largest clusters. Models are ranked in descending order of cluster size. If the simulations converge well, it is possible to have less than 5 models generated, which is usually an indication of good model quality.
(b) | The model confidence is quantitatified by estimated TM-score (eTM-score), calculated based on significance of threading template alignments, contact map satisfaction rate, mean absolute error between distance of model and distance of DeepPotential, and convergence of D-I-TASSER simulations. eTM-score is typically in the range of [0, 1], with higher eTM-score signifies higher model confidence.

Proteins with similar structure

| Top 10 structural analogs in PDB (as identified by TM-align)
Click to view | Rank | PDB Hit | TM-score | RMSDa | IDENa | Cov. | Download Alignment
--- | --- | --- | --- | --- | --- | --- | ---
| 1 | 4n6hA | 0.88 | 1.19 | 0.224 | 0.902 | model1_4n6hA.pdb.gz
| 2 | 7ddzA | 0.81 | 1.77 | 0.176 | 0.860 | model1_7ddzA.pdb.gz
| 3 | 5zbhA | 0.80 | 2.49 | 0.196 | 0.881 | model1_5zbhA.pdb.gz
| 4 | 5vblB | 0.80 | 3.11 | 0.170 | 0.890 | model1_5vblB.pdb.gz
| 5 | 4rnbA | 0.79 | 2.14 | 0.189 | 0.851 | model1_4rnbA.pdb.gz
| 6 | 4djhA | 0.79 | 2.46 | 0.213 | 0.851 | model1_4djhA.pdb.gz
| 7 | 6lw5A | 0.79 | 2.75 | 0.161 | 0.881 | model1_6lw5A.pdb.gz
| 8 | 6rz4A | 0.78 | 2.48 | 0.152 | 0.857 | model1_6rz4A.pdb.gz
| 9 | 4ea3B | 0.78 | 2.16 | 0.214 | 0.833 | model1_4ea3B.pdb.gz
| 10 | 2ks9A | 0.78 | 3.41 | 0.160 | 0.890 | model1_2ks9A.pdb.gz
(a) | Query structure is shown in cartoon, while the structural analog is displayed using backbone trace.
(b) | Ranking of proteins is based on TM-score of the structural alignment between the query structure and known structures in the PDB library.
(c) | RMSDa is the RMSD between residues that are structurally aligned by TM-align.
(d) | IDENa is the percentage sequence identity in the structurally aligned region.
(e) | Cov. represents the coverage of the alignment by TM-align and is equal to the number of structurally aligned residues divided by length of the query protein.

Predicted Gene Ontology (GO) Terms

Molecular Function (MF)
GO term | CscoreGO | Name
GO:0004872 | 1.00 | receptor activity
GO:0004930 | 0.99 | G-protein coupled receptor activity
GO:0008528 | 0.73 | G-protein coupled peptide receptor activity
GO:0008188 | 0.58 | neuropeptide receptor activity
GO:0046872 | 0.54 | metal ion binding
GO:0003824 | 0.54 | catalytic activity
GO:0042277 | 0.53 | peptide binding
GO:0004950 | 0.53 | chemokine receptor activity
GO:0046914 | 0.51 | transition metal ion binding
GO:0019957 | 0.51 | C-C chemokine binding
GO:0008092 | 0.51 | cytoskeletal protein binding
GO:0004629 | 0.51 | phospholipase C activity
Download full result of the above consensus prediction.

| Click the graph to show a high resolution version.
(a) | CscoreGO is the confidence score of predicted GO terms. CscoreGO values range in between [0-1]; where a higher value indicates a better confidence in predicting the function using the template.
(b) | The graph shows the predicted terms within the Gene Ontology hierachy for Molecular Function. Confidently predicted terms are color coded by CscoreGO:
[0.4,0.5) | [0.5,0.6) | [0.6,0.7) | [0.7,0.8) | [0.8,0.9) | [0.9,1.0]

Biological Process (BP)

GO term | CscoreGO | Name
GO:0065007 | 0.97 | biological regulation
GO:0050789 | 0.97 | regulation of biological process
GO:0050794 | 0.96 | regulation of cellular process
GO:0007165 | 0.93 | signal transduction
GO:0007186 | 0.91 | G-protein coupled receptor signaling pathway
GO:0009987 | 0.83 | cellular process
GO:0044699 | 0.80 | single-organism process
GO:0044763 | 0.76 | single-organism cellular process
GO:0050896 | 0.70 | response to stimulus
GO:0007187 | 0.67 | G-protein coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger
GO:0032501 | 0.64 | multicellular organismal process
GO:0007218 | 0.64 | neuropeptide signaling pathway
GO:0042221 | 0.63 | response to chemical
GO:0010033 | 0.62 | response to organic substance
GO:0007166 | 0.62 | cell surface receptor signaling pathway
GO:0051716 | 0.61 | cellular response to stimulus
GO:0051239 | 0.61 | regulation of multicellular organismal process
GO:0071704 | 0.60 | organic substance metabolic process
GO:0065008 | 0.60 | regulation of biological quality
GO:0044238 | 0.59 | primary metabolic process
GO:0044237 | 0.59 | cellular metabolic process
GO:0007188 | 0.59 | adenylate cyclase-modulating G-protein coupled receptor signaling pathway
GO:1901700 | 0.58 | response to oxygen-containing compound
GO:0071310 | 0.58 | cellular response to organic substance
GO:0044260 | 0.58 | cellular macromolecule metabolic process
GO:0014070 | 0.58 | response to organic cyclic compound
GO:0007610 | 0.58 | behavior
GO:0048519 | 0.57 | negative regulation of biological process
GO:0044707 | 0.57 | single-multicellular organism process
GO:0044057 | 0.57 | regulation of system process
GO:0080090 | 0.56 | regulation of primary metabolic process
GO:0048878 | 0.56 | chemical homeostasis
GO:0048518 | 0.56 | positive regulation of biological process
GO:0033993 | 0.56 | response to lipid
GO:0031323 | 0.56 | regulation of cellular metabolic process
GO:0009605 | 0.56 | response to external stimulus
GO:0006810 | 0.56 | transport
GO:0003008 | 0.56 | system process
GO:0044765 | 0.55 | single-organism transport
GO:0016043 | 0.55 | cellular component organization
GO:0007204 | 0.55 | positive regulation of cytosolic calcium ion concentration
GO:0006464 | 0.55 | cellular protein modification process
GO:0048523 | 0.54 | negative regulation of cellular process
GO:0048522 | 0.54 | positive regulation of cellular process
GO:0044710 | 0.54 | single-organism metabolic process
GO:0044708 | 0.54 | single-organism behavior
GO:0035556 | 0.54 | intracellular signal transduction
GO:0006816 | 0.54 | calcium ion transport
GO:0002376 | 0.54 | immune system process
GO:1901701 | 0.53 | cellular response to oxygen-containing compound
GO:0071396 | 0.53 | cellular response to lipid
GO:0051649 | 0.53 | establishment of localization in cell
GO:0043207 | 0.53 | response to external biotic stimulus
GO:0031644 | 0.53 | regulation of neurological system process
GO:0023051 | 0.53 | regulation of signaling
GO:0019220 | 0.53 | regulation of phosphate metabolic process
GO:0016477 | 0.53 | cell migration
GO:0010646 | 0.53 | regulation of cell communication
GO:0007193 | 0.53 | adenylate cyclase-inhibiting G-protein coupled receptor signaling pathway
GO:0051930 | 0.52 | regulation of sensory perception of pain
GO:0048583 | 0.52 | regulation of response to stimulus
GO:0044764 | 0.52 | multi-organism cellular process
GO:0032879 | 0.52 | regulation of localization
GO:0032496 | 0.52 | response to lipopolysaccharide
GO:0031326 | 0.52 | regulation of cellular biosynthetic process
GO:0030595 | 0.52 | leukocyte chemotaxis
GO:0009893 | 0.52 | positive regulation of metabolic process
GO:0008344 | 0.52 | adult locomotory behavior
GO:0006468 | 0.52 | protein phosphorylation
GO:1903514 | 0.51 | calcium ion transport from endoplasmic reticulum to cytosol
GO:0097305 | 0.51 | response to alcohol
GO:0071219 | 0.51 | cellular response to molecule of bacterial origin
GO:0070296 | 0.51 | sarcoplasmic reticulum calcium ion transport
GO:0065009 | 0.51 | regulation of molecular function
GO:0039663 | 0.51 | membrane fusion involved in viral entry into host cell
GO:0036336 | 0.51 | dendritic cell migration
GO:0036314 | 0.51 | response to sterol
GO:0031325 | 0.51 | positive regulation of cellular metabolic process
GO:0023014 | 0.51 | signal transduction by protein phosphorylation
GO:0019932 | 0.51 | second-messenger-mediated signaling
GO:0019221 | 0.51 | cytokine-mediated signaling pathway
GO:0007200 | 0.51 | phospholipase C-activating G-protein coupled receptor signaling pathway
GO:0051606 | 0.50 | detection of stimulus
GO:0051049 | 0.50 | regulation of transport
GO:0050877 | 0.50 | neurological system process
GO:0048584 | 0.50 | positive regulation of response to stimulus
GO:0009966 | 0.50 | regulation of signal transduction
GO:0009719 | 0.50 | response to endogenous stimulus

Download full result of the above consensus prediction.

| Click the graph to show a high resolution version.
(a) | CscoreGO is the confidence score of predicted GO terms. CscoreGO values range in between [0-1]; where a higher value indicates a better confidence in predicting the function using the template.
(b) | The graph shows the predicted terms within the Gene Ontology hierachy for Biological Process. Confidently predicted terms are color coded by CscoreGO:
[0.4,0.5) | [0.5,0.6) | [0.6,0.7) | [0.7,0.8) | [0.8,0.9) | [0.9,1.0]

Cellular Component (CC)

GO term | CscoreGO | Name
GO:0044464 | 1.00 | cell part
GO:0016021 | 1.00 | integral component of membrane
GO:0016020 | 1.00 | membrane
GO:0031226 | 0.97 | intrinsic component of plasma membrane
GO:0005887 | 0.96 | integral component of plasma membrane
GO:0005886 | 0.96 | plasma membrane
GO:0044424 | 0.76 | intracellular part
GO:0097458 | 0.60 | neuron part
GO:0043226 | 0.58 | organelle
GO:0042995 | 0.58 | cell projection
GO:0044444 | 0.54 | cytoplasmic part
GO:0043229 | 0.53 | intracellular organelle
GO:0043227 | 0.52 | membrane-bounded organelle
GO:0043005 | 0.52 | neuron projection

Download full result of the above consensus prediction.

| Click the graph to show a high resolution version.
(a) | CscoreGO is the confidence score of predicted GO terms. CscoreGO values range in between [0-1]; where a higher value indicates a better confidence in predicting the function using the template.
(b) | The graph shows the predicted terms within the Gene Ontology hierachy for Cellular Component. Confidently predicted terms are color coded by CscoreGO:
[0.4,0.5) | [0.5,0.6) | [0.6,0.7) | [0.7,0.8) | [0.8,0.9) | [0.9,1.0]

Predicted Enzyme Commission (EC) Numbers

| Top 5 enzyme homologs in PDB
Click to view | Rank | CscoreEC | PDB Hit | TM-score | RMSDa | IDENa | Cov. | EC Number | Predicted Active Site Residues
--- | --- | --- | --- | --- | --- | --- | --- | --- | ---
| 1 | 0.060 | 1yrqI | 0.411 | 5.90 | 0.026 | 0.622 | 1.12.2.1 | NA
| 2 | 0.060 | 2occN | 0.464 | 5.90 | 0.063 | 0.708 | 1.9.3.1 | 99
| 3 | 0.060 | 1yfmA | 0.445 | 6.47 | 0.046 | 0.735 | 4.2.1.2 | NA
| 4 | 0.060 | 1m56A | 0.465 | 5.41 | 0.059 | 0.667 | 1.9.3.1 | NA
| 5 | 0.060 | 1fftA | 0.511 | 5.59 | 0.081 | 0.756 | 1.10.3.- | 100
| Click on the radio buttons to visualize predicted active site residues.
(a) | CscoreEC is the confidence score for the Enzyme Commission (EC) number prediction. CscoreEC values range in between [0-1]; where a higher score indicates a more reliable EC number prediction.
(b) | TM-score is a measure of global structural similarity between query and template protein.
(c) | RMSDa is the RMSD between residues that are structurally aligned by TM-align.
(d) | IDENa is the percentage sequence identity in the structurally aligned region.
(e) | Cov. represents the coverage of global structural alignment and is equal to the number of structurally aligned residues divided by length of the query protein.

Predicted Ligand Binding Sites

| Template proteins with similar binding site:
Click to view | Rank | CscoreLB | PDB Hit | TM-score | RMSDa | IDENa | Cov. | BS-score | Lig. Name | Download Complex | Predicted binding site residues
--- | --- | --- | --- | --- | --- | --- | --- | --- | --- | --- | ---
| 1 | 0.07 | 3oduA | 0.754 | 2.88 | 0.185 | 0.842 | 1.05 | OLC | complex1.pdb.gz | 103,107,205,206,209,210,211,258,266
| 2 | 0.05 | 2z73A | 0.752 | 3.30 | 0.124 | 0.863 | 0.95 | RET | complex2.pdb.gz | 95,96,100,103,104,205,206,209,262,266,295,299
| 3 | 0.04 | 3oe8A | 0.747 | 2.63 | 0.199 | 0.821 | 0.70 | ITD | complex3.pdb.gz | 71,74,81,95
| 4 | 0.04 | 3oe6A | 0.737 | 2.94 | 0.199 | 0.819 | 0.72 | OLC | complex4.pdb.gz | 29,32,33,36
| 5 | 0.04 | 3ny9A | 0.738 | 2.76 | 0.173 | 0.819 | 0.72 | CLR | complex5.pdb.gz | 59,63,66,67
| 6 | 0.01 | 1c6gA | 0.204 | 5.78 | 0.054 | 0.319 | 0.72 | KR | complex6.pdb.gz | 29,32,33,60
| Click on the radio buttons to visualize predicted binding site and residues.
(a) | CscoreLB is the confidence score of predicted binding site. CscoreLB values range in between [0-1]; where a higher score indicates a more reliable ligand-binding site prediction.
(b) | BS-score is a measure of local similarity (sequence & structure) between template binding site and predicted binding site in the query structure. Based on large scale benchmarking analysis, we have observed that a BS-score >1 reflects a significant local match between the predicted and template binding site.
(c) | TM-score is a measure of global structural similarity between query and template protein.
(d) | RMSDa the RMSD between residues that are structurally aligned by TM-align.
(e) | IDENa is the percentage sequence identity in the structurally aligned region.
(f) | Cov. represents the coverage of global structural alignment and is equal to the number of structurally aligned residues divided by length of the query protein.

#### [Click result.zip to download all results on this page]

References:
1. | Wei Zheng, Qiqige Wuyun, Yang Li, Quancheng Liu, Xiaogen Zhou, Yiheng Zhu, P. Lydia Freddolino, Yang Zhang. Integrating deep learning potentials with I-TASSER for single- and multi-domain protein structure prediction. Submitted. 2023.