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I-TASSER results for job id Rv0825c

[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
10.23 21 3g1mA RF3 Rep, Mult 84,89,90,93,94,97,129,135,136,139,157,160,161,164,187
20.07 6 1jtxA CVI Rep, Mult 80,100,101,104,125,128,129,157,158,161,165
30.06 4 1jt0C QNA Rep, Mult 42,43,44,55,59,64,65
40.05 5 3br1A DEQ Rep, Mult 73,76,77,80,100,101,104,121,128
50.02 2 3lsrA NUC Rep, Mult 14,15,43,44,45,49,55,56,59
60.02 2 2gbyA BRN Rep, Mult 112,129,133,158
70.02 2 2nx40 III Rep, Mult 35,36,37,38,109,111,113,114,115,126,133,150,151,154,155,158,159,162,163,165,166,168,169,170,174,178,181,182,185,186
80.02 2 3lsrA QNA Rep, Mult 43,44,45,49,55,56,59
90.01 1 3lsjB COA Rep, Mult 94,139,184,187,188
100.01 1 2eh3A MG Rep, Mult 96,99

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
10.0601w36B0.4415.560.0560.7513.1.11.5156
20.0603igyB0.4365.590.0440.7375.4.2.1NA
30.0601f0iA0.4505.520.0410.7323.1.4.4NA
40.0603gtgB0.4515.660.0530.7792.7.7.6161
50.0601rblA0.4244.770.0780.6344.1.1.39NA
60.0601mswD0.3805.030.0680.5962.7.7.6NA
70.0601iv8A0.4525.150.0610.7425.4.99.15NA
80.0601uyrA0.4515.410.0540.7426.4.1.2,6.3.4.14157
90.0601o98A0.4316.010.0420.7755.4.2.1NA
100.0603bfjA0.4295.400.0720.7231.1.1.202NA
110.0602d0tB0.4335.940.0780.7751.13.11.52NA
120.0602o1xC0.4575.210.0620.7472.2.1.7NA
130.0601svdA0.3975.000.0540.6244.1.1.39NA
140.0602ifyA0.3185.310.0410.5265.4.2.1NA
150.0601xjjA0.4405.320.0700.7141.17.4.1NA
160.0602pywA0.4314.060.1100.6102.7.1.10064
170.0602o1xB0.4625.410.0540.7752.2.1.7NA
180.0602ztgA0.4605.890.0760.8076.1.1.737
190.0602i2xA0.4585.180.0480.7322.1.1.9077

(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
00.350.6173.170.100.773egqA GO:0003677 GO:0006351 GO:0006355
10.320.6423.030.180.793f1bA GO:0003677 GO:0006351 GO:0006355
20.320.6603.450.130.863bcgA GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0008144 GO:0042493 GO:0043565 GO:0045892
30.310.6492.940.150.803bruA GO:0003677 GO:0006351 GO:0006355
40.300.6403.580.140.842hytA GO:0003677 GO:0006351 GO:0006355
50.300.6732.740.170.794l62A GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355
60.300.6063.550.100.803ppbA GO:0003677 GO:0006351 GO:0006355
70.290.5353.040.090.663ljlA GO:0003677
80.290.5583.160.140.702qwtA GO:0003677 GO:0006351 GO:0006355
90.290.6393.280.160.822id6A GO:0003677 GO:0006351 GO:0006355
100.280.6123.590.120.832wuiA GO:0003677 GO:0006351 GO:0006355
110.280.5893.690.150.804g12A GO:0003677 GO:0006351 GO:0006355
120.280.6722.700.170.802g3bA GO:0003677 GO:0006351 GO:0006355
130.280.8312.130.120.922qibA GO:0003677 GO:0003700 GO:0006351 GO:0006355
140.270.6653.430.130.863lhqA GO:0003677 GO:0003700 GO:0006351 GO:0006355
150.270.5884.030.140.813vprA GO:0003677 GO:0006351 GO:0006355 GO:0042802
160.270.6073.600.150.803he0C GO:0003677 GO:0006351 GO:0006355
170.270.6813.260.190.853e7qB GO:0003677 GO:0003700 GO:0006351 GO:0006355
180.260.6043.680.100.823hggA GO:0003677 GO:0006351 GO:0006355
190.260.6633.350.150.853vibC GO:0003677 GO:0006351 GO:0006355
200.260.5734.020.120.813s5rA GO:0003677 GO:0006351 GO:0006355
210.260.6732.910.160.814yzeA GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0045892
220.260.7102.490.100.824ichA GO:0003677 GO:0006351 GO:0006355
230.250.6014.000.150.854pxiB GO:0003677 GO:0006351 GO:0006355
240.250.6443.240.090.813f0cA GO:0003677 GO:0006351 GO:0006355
250.250.6313.030.100.782zcnD GO:0003677 GO:0006351 GO:0006355
260.240.5533.840.120.753vuqC GO:0003677 GO:0006351 GO:0006355
270.240.6223.330.060.804mk6A GO:0003677 GO:0006351 GO:0006355
280.240.6213.370.100.813mnlA GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0042803
290.240.6773.050.170.835f1jA GO:0003677 GO:0006351 GO:0006355
300.240.6493.460.150.861rktA GO:0003677 GO:0006351 GO:0006355
310.240.6183.370.070.803bjbB GO:0003677 GO:0006351 GO:0006355
320.230.6283.080.140.794aciB GO:0000287 GO:0003677 GO:0006351 GO:0006355 GO:0046872
330.230.6313.910.100.853angC GO:0003677 GO:0006351 GO:0006355
340.230.5623.850.120.773dewA GO:0003677 GO:0006351 GO:0006355 GO:0016020 GO:0016021
350.230.6603.150.170.832oi8A GO:0003677 GO:0006351 GO:0006355
360.230.6443.290.140.843mvpA GO:0003677 GO:0006351 GO:0006355
370.220.6153.410.140.804gctC 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
380.220.5754.140.130.813cwrA GO:0003677 GO:0006351 GO:0006355
390.220.5683.820.120.785d1wD GO:0003677 GO:0006351 GO:0006355
400.220.6343.120.080.793geuA GO:0003677 GO:0006351 GO:0006355
410.220.6473.650.140.862uxhA GO:0003677 GO:0006351 GO:0006355
420.220.6483.390.110.834gclB GO:0003677 GO:0005737 GO:0007049 GO:0009295 GO:0010974 GO:0043565 GO:0043590 GO:0051301 GO:0051302
430.210.6173.660.140.833pasB GO:0003677 GO:0006351 GO:0006355
440.210.6743.010.110.823whcA GO:0003677 GO:0005737 GO:0006351 GO:0006355 GO:0006629 GO:0006631 GO:0016042
450.210.5723.540.170.752q24B GO:0003677 GO:0006351 GO:0006355
460.210.7222.360.150.832np5A GO:0003677 GO:0006351 GO:0006355
470.210.5474.030.100.772np3B GO:0003677 GO:0006351 GO:0006355
480.200.5864.230.090.842rasB GO:0003677 GO:0006351 GO:0006355
490.200.5893.740.130.782pz9A GO:0003677 GO:0003700 GO:0006351 GO:0006355
500.200.6233.770.150.824nn1A GO:0003677 GO:0003700 GO:0006351 GO:0006355
510.190.5943.230.130.763bqyA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677
520.190.6093.470.090.773vp5A GO:0003677 GO:0006351 GO:0006355 GO:0046872
530.190.6203.460.120.813kz9B GO:0003677 GO:0006351 GO:0006355
540.180.6772.960.150.812nx4A GO:0003677 GO:0006351 GO:0006355
550.180.5813.520.140.763ccyA GO:0003677 GO:0006351 GO:0006355
560.180.5823.440.130.772zozB GO:0003677 GO:0006351 GO:0006355
570.180.6273.590.130.823npiA GO:0003677 GO:0006351 GO:0006355
580.180.5294.040.140.753colA GO:0003677 GO:0006351 GO:0006355
590.180.6372.700.170.772dg8B GO:0003677 GO:0006351 GO:0006355
600.180.6473.370.120.843lwjA GO:0003677 GO:0006351 GO:0006355
610.170.5924.300.120.844jykA GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0045892 GO:0045893
620.170.6033.510.120.782o7tA GO:0003677 GO:0006351 GO:0006355
630.160.5424.320.080.773b81A GO:0003677 GO:0006351 GO:0006355
640.160.6092.970.130.772eh3A GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0046872
650.160.5154.230.140.752ibdA GO:0003677 GO:0006351 GO:0006355
660.150.6183.390.140.812pbxA
670.150.5584.340.120.803gziA GO:0003677 GO:0006351 GO:0006355
680.150.5924.100.120.794mxmA GO:0003677 GO:0006351 GO:0006355
690.150.7123.260.130.883g7rB GO:0003677 GO:0003700 GO:0006351 GO:0006355
700.140.6433.440.110.853c07A GO:0003677 GO:0006351 GO:0006355
710.140.5703.830.110.782fq4A GO:0003677 GO:0006351 GO:0006355
720.140.6273.030.120.773knwA GO:0003677 GO:0006351 GO:0006355
730.140.5134.110.090.702iaiA GO:0003677 GO:0006351 GO:0006355
740.140.5714.460.140.853nrgA GO:0003677 GO:0003700 GO:0006351 GO:0006355
750.140.6292.950.180.772qkoB GO:0003677 GO:0006351 GO:0006355
760.130.5613.840.120.783cdlB GO:0003677 GO:0006351 GO:0006355
770.130.5524.160.070.764me9A GO:0003677 GO:0006351 GO:0006355
780.130.5824.170.130.833aqtB GO:0003677 GO:0006351 GO:0006355
790.110.6902.880.140.843dpjA GO:0003677 GO:0006351 GO:0006355
800.080.6003.680.150.793dcfA GO:0003677 GO:0006351 GO:0006355
810.080.6263.750.120.861t33A GO:0003677 GO:0003700 GO:0006351 GO:0006355
820.070.5883.910.150.812zb9A GO:0003677 GO:0006351 GO:0006355
830.070.5504.060.130.742rekB GO:0003677 GO:0006351 GO:0006355
840.070.5753.910.130.782raeA GO:0003677 GO:0006351 GO:0006355
850.070.5523.710.130.762guhA GO:0003677 GO:0006351 GO:0006355
860.070.5244.270.110.762dg7A GO:0003677 GO:0006351 GO:0006355
870.070.4984.460.100.712i10B GO:0003677 GO:0006351 GO:0006355
880.070.5494.310.120.792fbqA GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0044212 GO:0045893 GO:0050714
890.070.5204.270.120.752jj7B GO:0003677 GO:0006351 GO:0006355 GO:0042802


Consensus prediction of GO terms
 
Molecular Function GO:0043565 GO:0008144 GO:0003700
GO-Score 0.32 0.32 0.32
Biological Processes GO:0045892 GO:0042493
GO-Score 0.32 0.32
Cellular Component
GO-Score

(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.