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I-TASSER results for job id Rv3415c

[Click on result.tar.bz2 to download the tarball file including all modelling results listed on this page]

 Input Sequence in FASTA format
 Predicted Secondary Structure
 Predicted Solvent Accessibility
 Predicted Normalized B-facotr
 Top 10 threading templates used by I-TASSER
 Top 5 final models predicted by I-TASSER

(For each target, I-TASSER simulations generate a large ensemble of structural conformations, called decoys. To select the final models, I-TASSER uses the SPICKER program to cluster all the decoys based on the pair-wise structure similarity, and reports up to five models which corresponds to the five largest structure clusters. The confidence of each model is quantitatively measured by C-score that is calculated based on the significance of threading template alignments and the convergence parameters of the structure assembly simulations. C-score is typically in the range of [-5, 2], where a C-score of higher value signifies a model with a high confidence and vice-versa. TM-score and RMSD are estimated based on C-score and protein length following the correlation observed between these qualities. Since the top 5 models are ranked by the cluster size, it is possible that the lower-rank models have a higher C-score in rare cases. Although the first model has a better quality in most cases, it is also possible that the lower-rank models have a better quality than the higher-rank models as seen in our benchmark tests. If the I-TASSER simulations converge, it is possible to have less than 5 clusters generated. This is usually an indication that the models have a good quality because of the converged simulations.)
 Proteins structureally close to the target in PDB (as identified by TM-align

(After the structure assembly simulation, I-TASSER uses the TM-align structural alignment program to match the first I-TASSER model to all structures in the PDB library. This section reports the top 10 proteins from the PDB that have the closest structural similarity, i.e. the highest TM-score, to the predicted I-TASSER model. Due to the structural similarity, these proteins often have similar function to the target. However, users are encouraged to use the data in the next section 'Predicted function using COACH' to infer the function of the target protein, since COACH has been extensively trained to derive biological functions from multi-source of sequence and structure features which has on average a higher accuracy than the function annotations derived only from the global structure comparison.)


 Predicted function using COACH

(This section reports biological annotations of the target protein by COACH based on the I-TASSER structure prediction. COACH is a meta-server approach that combines multiple function annotation results from the COFACTOR, TM-SITE and S-SITE programs.)


  Ligand binding sites

Rank C-score Cluster
size
PDB
Hit
Lig
Name
Download
Complex
Ligand Binding Site Residues
10.14 5 4wneA III Rep, Mult 38,39,42,68,69,72,73,75,76,79,82,83,94,97,107,110,114,117,120,121,135,152,155,156,162,193,197,200,203,204,218,232,236
20.07 3 1r3nG BIB Rep, Mult 91,157,164
30.05 2 3mkvG CO3 Rep, Mult 87,155,156,190,192
40.02 1 1o6oB III Rep, Mult 72,75,76,80,107,110
50.02 1 2bo6B MN Rep, Mult 110,118
60.02 1 3mtwA ZN Rep, Mult 147,190,210
70.02 1 2ez2A PO4 Rep, Mult 47,48,49,187,189,193
80.02 1 1f59B III Rep, Mult 192,196,199,200,233,237
90.02 1 2cypA O Rep, Mult 86,87
100.02 1 2bptA III Rep, Mult 38,41,42,45,47,76,79
110.02 1 3h2wA CO Rep, Mult 235,240
120.02 1 1f59A III Rep, Mult 196,199,200,203,204,233,237,241
130.02 1 2gl7D III Rep, Mult 198,201,206,208,213,217

Download the all possible binding ligands and detailed prediction summary.
Download the templates clustering results.
(a)C-score is the confidence score of the prediction. C-score ranges [0-1], where a higher score indicates a more reliable prediction.
(b)Cluster size is the total number of templates in a cluster.
(c)Lig Name is name of possible binding ligand. Click the name to view its information in the BioLiP database.
(d)Rep is a single complex structure with the most representative ligand in the cluster, i.e., the one listed in the Lig Name column.
Mult is the complex structures with all potential binding ligands in the cluster.

  Enzyme Commission (EC) numbers and active sites

RankCscoreECPDB
Hit
TM-scoreRMSDaIDENaCovEC NumberActive Site Residues
10.1651w3bA0.7033.160.1410.8332.4.1.-89
20.0601ks8A0.5254.800.0800.7533.2.1.4NA
30.0601hcuB0.5754.610.0530.8073.2.1.113NA
40.0601i8qA0.5544.760.0450.7934.2.2.154,60
50.0601nxcA0.5454.810.0820.7823.2.1.113NA
60.0602q1fA0.5405.000.0530.7934.2.2.21NA
70.0601hn0A0.5674.970.0540.8364.2.2.20NA
80.0602dqmA0.5275.270.0910.7933.4.11.2NA
90.0601ojnA0.5604.930.0450.8114.2.2.1NA
100.0601w3bB0.6583.920.1400.8332.4.1.-100,134,138
110.0601w6jA0.5794.560.0690.8005.4.99.7125
120.0601ho8A0.5195.330.0610.8003.6.3.14120
130.0601ia7A0.5234.840.0830.7643.2.1.4NA
140.0602c0lA0.5553.470.1300.6542.3.1.17696
150.0601f1sA0.5574.870.0590.8074.2.2.1153
160.0601z1wA0.5505.390.0840.8443.4.11.-NA
170.0602sqcA0.5784.960.0560.8365.4.99.17NA
180.0602pziA0.5794.160.0720.7822.7.11.1195
190.0601dceA0.5495.400.0910.8402.5.1.60NA
200.0602jg0A0.5255.350.0510.8113.2.1.28NA

(a)CscoreEC is the confidence score for the 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.

  Gene Ontology (GO) terms

Homologous GO templates in PDB 
RankCscoreGOTM-scoreRMSDaIDENaCovPDB HitAssociated GO Terms
00.390.6472.940.160.764a1sA GO:0000132 GO:0005938 GO:0007400 GO:0007405 GO:0008105 GO:0008356 GO:0019904 GO:0030695 GO:0040001 GO:0045167 GO:0045175 GO:0045177 GO:0045179 GO:0045185 GO:0050790 GO:0051294 GO:0055059
10.280.7042.860.120.815a6cB GO:0000132 GO:0000166 GO:0000922 GO:0001965 GO:0005092 GO:0005654 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005911 GO:0005912 GO:0005913 GO:0005938 GO:0007052 GO:0007155 GO:0007165 GO:0007186 GO:0007267 GO:0008022 GO:0017016 GO:0030054 GO:0030695 GO:0034332 GO:0042802 GO:0043547 GO:0045177 GO:0050790 GO:0051661 GO:0060487 GO:0090557 GO:0097431 GO:0098609 GO:0098641
20.250.6583.920.140.831w3bB GO:0000123 GO:0000791 GO:0001933 GO:0001934 GO:0005547 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005829 GO:0005886 GO:0006041 GO:0006110 GO:0006486 GO:0006493 GO:0006915 GO:0007165 GO:0007584 GO:0008047 GO:0008134 GO:0008289 GO:0008375 GO:0010628 GO:0010801 GO:0016020 GO:0016262 GO:0016568 GO:0016740 GO:0016757 GO:0019904 GO:0030854 GO:0030900 GO:0031397 GO:0032868 GO:0032869 GO:0032922 GO:0033137 GO:0035020 GO:0042277 GO:0042588 GO:0043005 GO:0043025 GO:0043085 GO:0043981 GO:0043982 GO:0043984 GO:0043995 GO:0043996 GO:0045793 GO:0045862 GO:0045944 GO:0046626 GO:0046972 GO:0048015 GO:0048029 GO:0048312 GO:0048511 GO:0051571 GO:0060548 GO:0061087 GO:0070207 GO:0070208 GO:0070688 GO:0071222 GO:0071300 GO:0071333 GO:0080182 GO:0090315 GO:0090526 GO:0097237 GO:0097363 GO:1900038 GO:1900182 GO:1903428
30.240.7454.170.140.963q15A GO:0004721 GO:0006470 GO:0016787
40.240.7124.250.050.924i9eA GO:0004721 GO:0006470 GO:0016787
50.220.7493.590.080.934i1aB GO:0004721 GO:0006470 GO:0016787
60.210.7003.700.080.894gyoB GO:0004721 GO:0006470 GO:0016787
70.200.7033.160.140.831w3bA GO:0000123 GO:0000791 GO:0001933 GO:0001934 GO:0005547 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005829 GO:0005886 GO:0006041 GO:0006110 GO:0006486 GO:0006493 GO:0006915 GO:0007165 GO:0007584 GO:0008047 GO:0008134 GO:0008289 GO:0008375 GO:0010628 GO:0010801 GO:0016020 GO:0016262 GO:0016568 GO:0016740 GO:0016757 GO:0019904 GO:0030854 GO:0030900 GO:0031397 GO:0032868 GO:0032869 GO:0032922 GO:0033137 GO:0035020 GO:0042277 GO:0042588 GO:0043005 GO:0043025 GO:0043085 GO:0043981 GO:0043982 GO:0043984 GO:0043995 GO:0043996 GO:0045793 GO:0045862 GO:0045944 GO:0046626 GO:0046972 GO:0048015 GO:0048029 GO:0048312 GO:0048511 GO:0051571 GO:0060548 GO:0061087 GO:0070207 GO:0070208 GO:0070688 GO:0071222 GO:0071300 GO:0071333 GO:0080182 GO:0090315 GO:0090526 GO:0097237 GO:0097363 GO:1900038 GO:1900182 GO:1903428
80.190.6873.280.130.814jhrA GO:0000132 GO:0000166 GO:0000922 GO:0001965 GO:0005092 GO:0005737 GO:0005856 GO:0005938 GO:0007052 GO:0030695 GO:0042802 GO:0045177 GO:0050790 GO:0051661 GO:0060487 GO:0097431
90.190.5825.090.120.814xifA GO:0000123 GO:0000791 GO:0001933 GO:0001934 GO:0005547 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005829 GO:0005886 GO:0006041 GO:0006110 GO:0006486 GO:0006493 GO:0006915 GO:0007165 GO:0007584 GO:0008047 GO:0008134 GO:0008289 GO:0008375 GO:0010628 GO:0010801 GO:0016020 GO:0016262 GO:0016568 GO:0016740 GO:0016757 GO:0019904 GO:0030854 GO:0030900 GO:0031397 GO:0032868 GO:0032869 GO:0032922 GO:0033137 GO:0035020 GO:0042277 GO:0042588 GO:0043005 GO:0043025 GO:0043085 GO:0043981 GO:0043982 GO:0043984 GO:0043995 GO:0043996 GO:0045793 GO:0045862 GO:0045944 GO:0046626 GO:0046972 GO:0048015 GO:0048029 GO:0048312 GO:0048511 GO:0051571 GO:0060548 GO:0061087 GO:0070207 GO:0070208 GO:0070688 GO:0071222 GO:0071300 GO:0071333 GO:0080182 GO:0090315 GO:0090526 GO:0097237 GO:0097363 GO:1900038 GO:1900182 GO:1903428
100.180.5392.770.130.642pl2A
110.160.6513.340.140.792fi7A GO:0009297 GO:0043683 GO:0046903
120.140.6413.770.100.824abnB GO:0003677 GO:0003682 GO:0005634 GO:0005654 GO:0005737 GO:0006281 GO:0006974 GO:0045944
130.140.6953.440.100.855a31J GO:0005634 GO:0005654 GO:0005680 GO:0005737 GO:0005813 GO:0005815 GO:0005819 GO:0005829 GO:0005856 GO:0005876 GO:0007049 GO:0007067 GO:0007088 GO:0008283 GO:0016567 GO:0031145 GO:0042787 GO:0043161 GO:0051301 GO:0051436 GO:0051437 GO:0051439 GO:0070979
140.140.4152.210.190.452vyiA GO:0005737 GO:0005829 GO:0016020 GO:0016032 GO:1903071 GO:1904288
150.130.6494.110.100.855a31F GO:0005634 GO:0005654 GO:0005680 GO:0005737 GO:0005813 GO:0005819 GO:0005829 GO:0005876 GO:0007091 GO:0008283 GO:0016567 GO:0019903 GO:0031145 GO:0042787 GO:0043161 GO:0051436 GO:0051437 GO:0051439 GO:0070979
160.130.5433.130.120.652q7fA
170.110.4172.250.100.463sz7A GO:0004721 GO:0006470 GO:0016787
180.090.5563.100.140.673gw4B
190.070.6353.310.140.765a01A GO:0006486 GO:0006493 GO:0008375 GO:0016740 GO:0016757 GO:0035220 GO:0045475
200.070.4591.690.210.492fo7A
210.060.4231.910.120.453uq3A GO:0003729 GO:0005737 GO:0006457 GO:0008104 GO:0030544 GO:0042030 GO:0043086 GO:0051879


Consensus prediction of GO terms
 
Molecular Function GO:1901265 GO:0036094 GO:0098632 GO:0045296 GO:0031267 GO:0030695 GO:0019904 GO:0030246 GO:0008375 GO:1901981 GO:0033218 GO:0010485 GO:0004721
GO-Score 0.57 0.57 0.57 0.57 0.57 0.56 0.54 0.49 0.49 0.49 0.49 0.49 0.42
Biological Processes GO:0060428 GO:0022610 GO:0061028 GO:0043087 GO:0051657 GO:0045216 GO:0051642 GO:0051345 GO:0060479 GO:0000132 GO:0071219 GO:0032526 GO:1903426 GO:0006096 GO:0006486 GO:1903829 GO:1903578 GO:0090313 GO:0012501 GO:1900180 GO:0061085 GO:0010799 GO:0051291 GO:0051569 GO:1901071 GO:0033135 GO:0042327 GO:0051196 GO:0043470 GO:0071396 GO:0045893 GO:0090317 GO:0018023 GO:0006111 GO:1900076 GO:0007623 GO:0043467 GO:0031062 GO:0001933 GO:0002763 GO:0071229 GO:0030162 GO:0016601 GO:0007420 GO:0030852 GO:0008286 GO:1900037 GO:0031667 GO:0048017 GO:0048311 GO:0032496 GO:0009749 GO:0001678 GO:0008361 GO:0046578 GO:0051260 GO:0043967 GO:0031396 GO:0070206 GO:1903321 GO:0010941 GO:2000379 GO:0006357 GO:0009636 GO:0071331 GO:0048585 GO:0051129 GO:0006470 GO:0055059 GO:0045167 GO:0045175 GO:0045185 GO:0007400
GO-Score 0.57 0.57 0.57 0.57 0.57 0.57 0.57 0.57 0.57 0.56 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.42 0.39 0.39 0.39 0.39 0.39
Cellular Component GO:0072686 GO:0005912 GO:0005911 GO:0031248 GO:0035097 GO:0000785 GO:0030141 GO:0036477 GO:0042995 GO:0044297 GO:0005886 GO:0005829 GO:0045179
GO-Score 0.57 0.57 0.57 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.46 0.46 0.39

(a)CscoreGO is a combined measure for evaluating global and local similarity between query and template protein. It's range is [0-1] and higher values indicate more confident predictions.
(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.
(f)The second table shows a consensus GO terms amongst the top scoring templates. The GO-Score associated with each prediction is defined as the average weight of the GO term, where the weights are assigned based on CscoreGO of the template.

[Click on result.tar.bz2 to download the tarball file including all modelling results listed on this page]



Please cite the following articles when you use the I-TASSER server:
1. J Yang, R Yan, A Roy, D Xu, J Poisson, Y Zhang. The I-TASSER Suite: Protein structure and function prediction. Nature Methods, 12: 7-8, 2015.
2. J Yang, Y Zhang. I-TASSER server: new development for protein structure and function predictions, Nucleic Acids Research, 43: W174-W181, 2015.
3.A Roy, A Kucukural, Y Zhang. I-TASSER: a unified platform for automated protein structure and function prediction. Nature Protocols, 5: 725-738, 2010.
4.Y Zhang. I-TASSER server for protein 3D structure prediction. BMC Bioinformatics, 9: 40, 2008.