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I-TASSER results for job id Rv0767c

[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
10.13 14 3angB DCC Rep, Mult 124,128,138,139,142,166,170,172,173
20.11 9 3zqlA QNA Rep, Mult 52,53,54,64,65,68,73,74
30.07 7 5cw8A 55X Rep, Mult 40,82,85,86,110,113,114,117,120,124,128,148,166,169,172
40.06 6 3zqlA QNA Rep, Mult 24,27,63,65,66,69,70
50.06 6 2uxhB QUE Rep, Mult 103,106,107,121,125,152,168,169,172,173,176
60.04 4 3aqtA RCO Rep, Mult 93,103,106,107,110,151,152,155
70.02 2 3anpA DCC Rep, Mult 174,178,182,183,187
80.02 2 3lsrA QNA Rep, Mult 52,53,54,58,64,65,68
90.01 1 3lsjB COA Rep, Mult 107,194,197,198
100.01 1 3iuv0 III Rep, Mult 137,141,163,164,166,167,170,173,174,177,180,181,192,199,200
110.01 1 3anpD DCC Rep, Mult 37,40,41,45,46,49
120.01 1 3angD DCC Rep, Mult 33,37,41,42
130.01 1 2id3B CA Rep, Mult 55,59
140.01 1 2dg80 III Rep, Mult 118,121,122,125,126,128,129,131,132,133,138,141,142,145,164,167,169,170,173,174,175,178,180,181,195,196,199,200,202
150.01 1 2uxpA CLM Rep, Mult 148,152,169,172
160.01 1 2id3A CA Rep, Mult 94,158

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
10.0601pz2A0.4335.850.0600.7843.2.1.5539
20.0602epoB0.3655.830.0710.6483.2.1.52NA
30.0602vrkA0.4385.800.0670.7703.2.1.55211
40.0602ztgA0.4295.840.0550.7756.1.1.7NA
50.0601sznA0.4365.730.0280.7423.2.1.22NA
60.0602vtfA0.4474.930.0370.6903.2.1.96112,116
70.0601e5dA0.4285.400.0540.7001.-.-.-77
80.0602gjxA0.4365.140.0450.7043.2.1.52NA
90.0601jqnA0.4395.430.0380.7234.1.1.31NA
100.0601bxnA0.4434.890.0900.6814.1.1.39NA
110.0601px8A0.3445.770.0240.6203.2.1.37NA
120.0601uhvB0.3445.930.0230.6343.2.1.37NA
130.0602i56C0.4265.580.0360.7565.3.1.1484
140.0601bxnE0.4414.890.0960.6814.1.1.3933,42
150.0602d0tB0.4285.060.0450.6761.13.11.52NA
160.0602i2xA0.4645.170.0460.7372.1.1.90NA
170.0602vncB0.3995.620.0570.6953.2.1.-80
180.0602pulA0.4355.660.0710.7792.7.1.100NA
190.0603a47A0.4335.410.0760.7183.2.1.1052,76

(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
00.400.7931.600.220.853mnlA GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0042803
10.340.7601.930.210.843bjbB GO:0003677 GO:0006351 GO:0006355
20.320.6553.610.090.842y31A GO:0003677 GO:0006351 GO:0006355 GO:0045892
30.300.5204.160.100.762oerB GO:0003677 GO:0006351 GO:0006355
40.290.6323.460.130.813e7qB GO:0003677 GO:0003700 GO:0006351 GO:0006355
50.270.6692.980.140.842f07A GO:0003677 GO:0006351 GO:0006355
60.260.6133.560.100.814l62A GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355
70.260.6932.740.140.833angC GO:0003677 GO:0006351 GO:0006355
80.260.6113.500.150.803cjdA GO:0003677 GO:0006351 GO:0006355
90.250.5643.780.140.763vuqC GO:0003677 GO:0006351 GO:0006355
100.240.6123.300.160.792fq4A GO:0003677 GO:0006351 GO:0006355
110.240.5723.710.070.783on4A GO:0003677 GO:0006351 GO:0006355
120.230.5333.950.050.733vprA GO:0003677 GO:0006351 GO:0006355 GO:0042802
130.230.6363.540.100.824ichA GO:0003677 GO:0006351 GO:0006355
140.220.6403.190.110.803lwjA GO:0003677 GO:0006351 GO:0006355
150.220.6222.940.130.773bniA GO:0003677 GO:0006351 GO:0006355
160.220.5553.550.110.763dcfA GO:0003677 GO:0006351 GO:0006355
170.220.5733.770.090.782genA GO:0003677 GO:0003700 GO:0006351 GO:0006355
180.210.5803.690.110.793he0C GO:0003677 GO:0006351 GO:0006355
190.210.6133.540.190.814jl3C GO:0003677 GO:0006351 GO:0006355
200.210.6353.650.110.861rktA GO:0003677 GO:0006351 GO:0006355
210.200.5713.790.140.793ppbA GO:0003677 GO:0006351 GO:0006355
220.200.6073.420.100.793ni7A GO:0003677 GO:0006351 GO:0006355
230.200.6093.720.160.812of7A GO:0003677 GO:0006351 GO:0006355
240.200.5923.830.100.793bruA GO:0003677 GO:0006351 GO:0006355
250.200.5864.000.120.833c2bA GO:0003677 GO:0006351 GO:0006355
260.200.5244.120.120.732q24B GO:0003677 GO:0006351 GO:0006355
270.200.6553.100.140.822hytA GO:0003677 GO:0006351 GO:0006355
280.190.5363.990.130.753vvxA GO:0003677 GO:0006351 GO:0006355
290.190.5813.900.060.792id6A GO:0003677 GO:0006351 GO:0006355
300.190.6503.060.150.815d18A GO:0003677 GO:0006351 GO:0006355
310.190.6243.590.110.843bhqA GO:0003677 GO:0006351 GO:0006355
320.180.5113.950.090.712qwtA GO:0003677 GO:0006351 GO:0006355
330.180.6582.860.140.792hxoA GO:0003677 GO:0006351 GO:0006355 GO:0045892
340.180.5823.780.130.774auxA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677 GO:0046872
350.180.5713.780.100.783qkxA GO:0003677 GO:0006351 GO:0006355
360.170.6142.930.150.763bqyA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677
370.170.5614.340.050.802wuiA GO:0003677 GO:0006351 GO:0006355
380.170.5604.140.040.773geuA GO:0003677 GO:0006351 GO:0006355
390.170.6303.820.130.853qbmA GO:0003677 GO:0003700 GO:0006351 GO:0006355
400.160.6413.040.090.802dg8B GO:0003677 GO:0006351 GO:0006355
410.160.5214.310.070.754w97A GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0010468 GO:0019217
420.140.6383.380.110.842qibA GO:0003677 GO:0003700 GO:0006351 GO:0006355
430.140.5053.990.090.692ibdA GO:0003677 GO:0006351 GO:0006355
440.140.5664.120.090.813pasB GO:0003677 GO:0006351 GO:0006355
450.140.5644.010.080.773f1bA GO:0003677 GO:0006351 GO:0006355
460.140.5833.360.140.762qkoB GO:0003677 GO:0006351 GO:0006355
470.120.5134.390.060.744me9A GO:0003677 GO:0006351 GO:0006355
480.120.5743.690.110.763b81A GO:0003677 GO:0006351 GO:0006355
490.120.5554.250.090.783mvpA GO:0003677 GO:0006351 GO:0006355
500.110.6513.370.160.843htaA GO:0003677 GO:0006351 GO:0006355
510.110.6173.970.110.843g7rB GO:0003677 GO:0003700 GO:0006351 GO:0006355
520.110.5583.770.140.752g7lA GO:0003677 GO:0006351 GO:0006355 GO:0045892
530.100.5444.380.120.804jykA GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0045892 GO:0045893
540.100.5384.220.100.754pxiB GO:0003677 GO:0006351 GO:0006355
550.100.6602.700.130.783aqtB GO:0003677 GO:0006351 GO:0006355
560.100.5334.020.130.752o7tA GO:0003677 GO:0006351 GO:0006355
570.090.6433.100.120.812zcxA GO:0003677 GO:0006351 GO:0006355
580.090.6293.300.060.793whcA GO:0003677 GO:0005737 GO:0006351 GO:0006355 GO:0006629 GO:0006631 GO:0016042
590.090.5643.650.110.763t6nA GO:0003677 GO:0003700 GO:0006351 GO:0006355
600.080.6353.210.130.802gfnB GO:0003677 GO:0006351 GO:0006355
610.080.6273.400.100.822nx4A GO:0003677 GO:0006351 GO:0006355
620.080.6123.530.080.801sgmA GO:0003677 GO:0006351 GO:0006355
630.070.6043.900.110.812hyjA GO:0003677 GO:0003700 GO:0006351 GO:0006355
640.070.6513.500.150.843c07A GO:0003677 GO:0006351 GO:0006355
650.070.6003.700.170.813cwrA GO:0003677 GO:0006351 GO:0006355
660.070.5753.590.070.773knwA GO:0003677 GO:0006351 GO:0006355
670.070.5733.880.080.774gclB GO:0003677 GO:0005737 GO:0007049 GO:0009295 GO:0010974 GO:0043565 GO:0043590 GO:0051301 GO:0051302
680.070.5623.420.110.732eh3A GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0046872
690.070.5444.140.070.763cdlB GO:0003677 GO:0006351 GO:0006355
700.070.5453.910.080.754gctC GO:0000976 GO:0003677 GO:0003700 GO:0005737 GO:0005829 GO:0006355 GO:0007049 GO:0009295 GO:0010974 GO:0043565 GO:0043590 GO:0051301 GO:0051302
710.070.5674.130.080.793npiA GO:0003677 GO:0006351 GO:0006355
720.070.5733.700.140.772raeA GO:0003677 GO:0006351 GO:0006355


Consensus prediction of GO terms
 
Molecular Function GO:0003700 GO:0042803 GO:0000976
GO-Score 0.57 0.40 0.40
Biological Processes GO:0045892
GO-Score 0.32
Cellular Component GO:0005829
GO-Score 0.40

(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.