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I-TASSER results for job id Rv1504c

[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
10.89 217 1b9iA PXG Rep, Mult 58,59,60,63,84,85,87,130,156,158,159,180,182,185
20.07 16 3dr7A GPD Rep, Mult 28,29,30,31,33
30.04 8 3dr7B GPD Rep, Mult 11,85,182,183,184,185
40.04 9 4wxbA CIT Rep, Mult 58,59,60,180,182,185,191
50.00 1 1mdxA AKG Rep, Mult 182,191
60.00 1 3cq6C PO4 Rep, Mult 47,48,160,161,169,179
70.00 1 2tplB HPP Rep, Mult 10,85
80.00 1 3ju7B CA Rep, Mult 19
90.00 1 3b8xA NA Rep, Mult 77,100,119,120,121,123,124

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
10.0602okjB0.8172.720.1290.9754.1.1.15NA
20.0601i29A0.7812.970.1140.9704.4.1.1689
30.0601gd9A0.7972.850.1870.9452.6.1.-156
40.0601c7gA0.7762.980.1560.9604.1.99.2NA
50.0601p3wB0.7902.790.1250.9652.8.1.7182
60.0603hbxA0.7932.760.1130.9654.1.1.15180,182
70.0601b9hA0.9111.850.3050.9904.2.1.-85,156,185
80.0601t3iA0.7812.910.1610.9602.8.1.7NA
90.0602wk7A0.7932.830.1380.9452.3.-.-185
100.0603k40A0.7872.990.1140.9704.1.1.28158,182
110.0602vmzA0.7823.050.1570.9552.1.2.158,158,185
120.0601v2eA0.7803.020.1870.9502.6.1.1585,156
130.0602c7tA0.9091.680.3690.9802.6.1.-156
140.0601u08A0.7873.090.1790.9652.6.1.-57,60
150.0602zjgA0.7833.090.1560.9552.6.1.7,2.6.1.64156
160.0602jisB0.8152.830.1430.9854.1.1.29156,185
170.0603a2bA0.8042.700.1430.9502.3.1.50156,185
180.0601mdxA0.9111.460.4120.9752.6.1.87156,185
190.0601p3wA0.7902.800.1250.9652.8.1.7,4.4.1.-156,185

(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
00.580.9091.630.340.983nu7B GO:0000271 GO:0003824 GO:0008483 GO:0009103 GO:0009243 GO:0016740 GO:0030170 GO:0071555
10.500.9131.550.650.984zahA GO:0003824 GO:0009246 GO:0016740 GO:0019180 GO:0030170
20.490.9091.680.370.982c7tA GO:0003824 GO:0008483 GO:0016740 GO:0017000
30.480.9111.850.300.991b9hA GO:0003824 GO:0016740 GO:0016829 GO:0017000
40.480.9111.460.410.971mdxA GO:0003824 GO:0006629 GO:0008483 GO:0009103 GO:0009245 GO:0016740 GO:0046493 GO:0046677 GO:0099621
50.460.8881.740.380.965k8bA GO:0000271 GO:0003824 GO:0008483 GO:0009103 GO:0016740
60.450.9191.600.300.993bcxA GO:0003824 GO:0008483 GO:0016740
70.450.9391.230.390.984lc3A GO:0003824
80.440.9201.430.280.982fniA GO:0003824 GO:0008483 GO:0016740
90.430.9211.580.330.992ogaA GO:0003824 GO:0008483 GO:0016740 GO:0017000 GO:0030170 GO:0033068
100.400.9031.930.240.992gmsA GO:0003824 GO:0008483 GO:0016740
110.390.8891.950.310.983uwcA GO:0003824 GO:0008483 GO:0016740
120.380.9101.740.320.994xauB GO:0003824 GO:0008483 GO:0016740
130.340.9161.580.330.983frkA GO:0003824
140.320.9071.590.290.984ztcA GO:0003824 GO:0006486 GO:0008483 GO:0016740 GO:0047302
150.250.9461.190.360.993dr4C GO:0003824 GO:0008483 GO:0009103 GO:0009243 GO:0016740
160.240.7812.910.160.961t3iA GO:0003824 GO:0006534 GO:0016740 GO:0030170 GO:0031071
170.230.9081.720.310.994qgrA GO:0003824 GO:0008483 GO:0016740
180.210.8891.750.270.964zasA GO:0003824
190.200.8941.890.340.974k2mA GO:0003824 GO:0008483 GO:0016740 GO:0017000 GO:0030170
200.200.8832.060.350.992po3A GO:0003824
210.190.8242.590.220.983ju7A GO:0003824
220.180.8042.700.140.953a2bA GO:0003824 GO:0004758 GO:0008152 GO:0009058 GO:0016740 GO:0016746 GO:0030170
230.170.7952.670.180.952bwoB GO:0003824 GO:0003870 GO:0006782 GO:0006783 GO:0008152 GO:0009058 GO:0016740 GO:0016746 GO:0030170 GO:0033014
240.170.7393.090.140.931vjoA GO:0003824 GO:0008483 GO:0016740
250.140.7733.170.180.952r5cB GO:0003824 GO:0008483 GO:0009058 GO:0016740 GO:0030170
260.110.8052.740.160.951bs0A GO:0003824 GO:0008152 GO:0008710 GO:0009058 GO:0009102 GO:0016740 GO:0030170
270.080.7823.150.130.963eleA GO:0003824 GO:0008483 GO:0009058 GO:0016740 GO:0030170
280.080.7803.020.190.951v2eA GO:0003824 GO:0008483 GO:0009058 GO:0016740 GO:0030170
290.070.7762.760.110.924iw7A GO:0003824 GO:0008483 GO:0008710 GO:0009058 GO:0016740 GO:0016746 GO:0030170
300.070.7873.090.180.961u08A GO:0003824 GO:0005737 GO:0008483 GO:0009058 GO:0010326 GO:0016740 GO:0030170
310.070.7623.260.140.954r2nA GO:0000105 GO:0003824 GO:0004400 GO:0008152 GO:0008483 GO:0009058 GO:0016740 GO:0030170
320.070.7922.840.140.943hqtB GO:0003824 GO:0008483 GO:0009058 GO:0016740 GO:0016746 GO:0030170
330.070.7972.850.190.941gd9A GO:0003824 GO:0008483 GO:0009058 GO:0016740 GO:0030170
340.070.8082.710.140.955jayA GO:0003824 GO:0008710 GO:0009058 GO:0009102 GO:0016740 GO:0030170
350.070.7873.180.220.961j32A GO:0003824 GO:0004069 GO:0008483 GO:0009058 GO:0016740 GO:0030170 GO:0080130
360.070.8032.830.130.973mc6A GO:0003824 GO:0006629 GO:0006665 GO:0008117 GO:0009267 GO:0016829 GO:0016831 GO:0019722 GO:0019752 GO:0030170 GO:0032541 GO:0097038
370.070.8102.440.180.944bmkA GO:0003824 GO:0008152 GO:0009058 GO:0016740 GO:0030170
380.070.8052.660.160.952x8uA GO:0003824 GO:0004758 GO:0008152 GO:0009058 GO:0016740 GO:0016746 GO:0030170
390.070.7713.050.210.943fvsA GO:0003824 GO:0005654 GO:0005737 GO:0005829 GO:0006559 GO:0006569 GO:0006575 GO:0008483 GO:0008652 GO:0009058 GO:0016212 GO:0016740 GO:0016829 GO:0030170 GO:0042803 GO:0047312 GO:0047316 GO:0047804 GO:0047945 GO:0070189 GO:0097053
400.070.7862.650.140.944w8iA GO:0003824 GO:0008117 GO:0016829 GO:0016831 GO:0019752 GO:0030170
410.070.8212.730.110.982okkA GO:0000139 GO:0003824 GO:0004351 GO:0005737 GO:0005794 GO:0005829 GO:0005886 GO:0006540 GO:0007268 GO:0007269 GO:0016020 GO:0016023 GO:0016595 GO:0016829 GO:0016831 GO:0019752 GO:0030054 GO:0030170 GO:0030424 GO:0030672 GO:0031225 GO:0031410 GO:0042136 GO:0042493 GO:0042734 GO:0045202 GO:0046982 GO:0048471 GO:0060077 GO:0061202
420.070.7672.450.150.892wk8B GO:0003824 GO:0008483 GO:0009058 GO:0016740 GO:0016746 GO:0030170
430.070.7913.120.220.962o0rA GO:0003824 GO:0005618 GO:0005737 GO:0008483 GO:0008652 GO:0009016 GO:0009058 GO:0009085 GO:0009089 GO:0016740 GO:0030170
440.070.7783.210.150.963dydA GO:0003824 GO:0004838 GO:0005739 GO:0005829 GO:0006103 GO:0006520 GO:0006536 GO:0006559 GO:0006572 GO:0006979 GO:0008483 GO:0009058 GO:0009072 GO:0009074 GO:0014070 GO:0016597 GO:0016740 GO:0030170 GO:0046689 GO:0051384 GO:0080130
450.070.7832.940.210.941b5oA GO:0003824 GO:0004069 GO:0005737 GO:0008483 GO:0009058 GO:0016740 GO:0030170 GO:0080130
460.070.7813.350.150.971o4sB GO:0003824 GO:0004069 GO:0005737 GO:0008483 GO:0009058 GO:0016740 GO:0030170 GO:0080130
470.070.7623.280.150.952o1bA GO:0003824 GO:0008483 GO:0009058 GO:0016740 GO:0030170
480.070.7583.320.130.954my5A GO:0003824 GO:0008483 GO:0009058 GO:0016740 GO:0030170
490.070.7793.200.190.963b46B GO:0001558 GO:0003824 GO:0004061 GO:0005737 GO:0005739 GO:0008483 GO:0009058 GO:0016212 GO:0016740 GO:0030170 GO:0034276 GO:0047536 GO:0097053
500.070.7842.860.180.941xi9C GO:0003824 GO:0008483 GO:0009058 GO:0016740 GO:0030170
510.070.7872.710.160.934cvqA GO:0003824 GO:0004021 GO:0005737 GO:0006523 GO:0006974 GO:0008483 GO:0009058 GO:0016740 GO:0019272 GO:0030170 GO:0030632 GO:0046677
520.070.7383.170.170.913ecdB GO:0003824 GO:0004372 GO:0005737 GO:0006544 GO:0006545 GO:0006563 GO:0006730 GO:0008652 GO:0016740 GO:0019264 GO:0030170 GO:0035999
530.070.7803.250.150.973e2yA GO:0003824 GO:0005739 GO:0006103 GO:0006520 GO:0008483 GO:0009058 GO:0016212 GO:0016740 GO:0016829 GO:0030170 GO:0042803 GO:0044822 GO:0047315 GO:0047804 GO:0070189 GO:0097052
540.070.7382.950.130.893n0lB GO:0003824 GO:0004372 GO:0005737 GO:0006544 GO:0006545 GO:0006563 GO:0006730 GO:0008652 GO:0016740 GO:0019264 GO:0030170 GO:0035999


Consensus prediction of GO terms
 
Molecular Function GO:0030170 GO:0019180 GO:0016829 GO:0099621
GO-Score 0.79 0.50 0.48 0.47
Biological Processes GO:0017000 GO:0071555 GO:0009243 GO:0009246 GO:0046677 GO:0009245
GO-Score 0.74 0.58 0.58 0.50 0.47 0.47
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.