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I-TASSER results for job id Rv2003c

[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
10.63 15 2gs9A SAH Rep, Mult 63,70,103,105,107,111,122,123,124,127,142,143,144,159,160,161,164,165
20.04 1 1vlmA NA Rep, Mult 103,104,105,159,160,161
30.03 1 1yz30 III Rep, Mult 92,190,219,220,223,236,237

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
10.1503lccA0.5343.490.1440.6462.1.1.-71,105,128
20.1393e05D0.4693.150.1360.5542.1.1.132128,130,136
30.0732pxxA0.5183.220.1330.6003.4.24.71NA
40.0673hnrA0.5143.410.1460.6182.1.1.-NA
50.0671wznA0.5712.960.1730.6672.1.1.-NA
60.0672a14A0.5773.100.1710.6742.1.1.4970,105,107,138,163
70.0661f38A0.4603.100.1280.5442.1.1.-NA
80.0661xcjA0.5163.470.1580.6282.1.1.2144,146
90.0662cl5A0.4883.380.1070.5862.1.1.6NA
100.0663e05B0.4683.070.1410.5512.1.1.132NA
110.0663grzB0.4543.270.1100.5372.1.1.-NA
120.0663bwmA0.4873.390.0950.5862.1.1.6NA
130.0661nt2A0.4653.850.0930.5832.1.1.-NA
140.0601ri5A0.5283.720.1270.6532.1.1.56105
150.0602ex4A0.5673.230.1140.6672.1.1.-NA
160.0601ej6A0.5034.820.0650.6912.7.7.50NA
170.0603eppB0.5343.640.0950.6602.1.1.56NA
180.0601kpiA0.5763.740.1110.7122.1.1.79NA
190.0601bhjA0.5693.320.1290.6772.1.1.20NA
200.0601xxlA0.5312.980.1280.6112.1.1.-NA
210.0602h11B0.5233.480.0770.6392.1.1.67NA
220.0603bgdA0.5213.460.0800.6392.1.1.67NA
230.0601p91A0.5593.930.1410.6842.1.1.5189
240.0601l1eA0.5453.660.1270.6702.1.1.79NA
250.0602e5wA0.4973.990.0830.6212.5.1.16105,165
260.0601kyzE0.5423.150.1000.6492.1.1.68108,119
270.0601kpgA0.5743.700.1250.7052.1.1.79170
280.0602qyoA0.5143.260.0960.6182.1.1.46NA
290.0602iipA0.5722.990.1510.6672.1.1.170,74,105,107,128
300.0601tpyA0.5863.630.1380.7162.1.1.79NA
310.0602i62C0.5743.070.1250.6742.1.1.170,105,107,128
320.0602opbB0.5762.950.1520.6742.1.1.2870,105,107,122,138,159

(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
00.440.7061.080.310.731vlmA GO:0005737 GO:0008152 GO:0008168 GO:0008757 GO:0032259
10.350.6372.380.320.702gs9A GO:0008152 GO:0008168 GO:0032259
20.340.5193.270.140.622p8jB GO:0008152 GO:0008168 GO:0016740 GO:0032259
30.310.5412.780.190.623l8dA GO:0008152 GO:0008168 GO:0016740 GO:0032259
40.280.6373.110.230.752avnA GO:0008152 GO:0008168 GO:0016740 GO:0032259
50.240.5393.580.210.652yqzA GO:0008152 GO:0008168 GO:0032259 GO:0046872 GO:0051536 GO:0051539
60.230.5983.260.210.714hh4C GO:0008170 GO:0032259
70.230.4913.900.160.614hg2B GO:0008152 GO:0008168 GO:0016740 GO:0032259
80.210.5483.620.170.653mggB GO:0008168 GO:0016740 GO:0032259
90.190.5442.600.170.613dh0B GO:0005737 GO:0008757 GO:0032259 GO:0046872 GO:0051536 GO:0051539
100.190.5793.150.150.674htfB GO:0008033 GO:0008168 GO:0016740 GO:0032259
110.180.5413.190.210.653bxoA GO:0008168 GO:0008757 GO:0016740 GO:0017000 GO:0032259 GO:0042803
120.170.5293.650.160.643egeA GO:0008152 GO:0008168 GO:0032259
130.170.6244.080.160.794krhA GO:0008152 GO:0008168 GO:0032259 GO:0046872 GO:0051536 GO:0051539
140.170.5712.960.170.671wznA
150.170.5363.620.160.653dlcA GO:0008152 GO:0008168 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
160.170.5352.920.130.612gluA GO:0005737 GO:0008152 GO:0008168 GO:0008757 GO:0016740 GO:0032259
170.170.5623.150.190.674oqdC GO:0008168 GO:0008757 GO:0016740 GO:0017000 GO:0032259 GO:0042803
180.160.5623.380.200.663busA GO:0008152 GO:0008168 GO:0016740 GO:0032259
190.160.5733.030.220.673d2lC GO:0008168 GO:0016740 GO:0032259
200.160.6174.010.150.784ineA GO:0000773 GO:0005737 GO:0006656 GO:0008152 GO:0008168 GO:0016740 GO:0032259 GO:0080101
210.160.5302.970.180.611vl5A GO:0008152 GO:0008168 GO:0016740 GO:0032259
220.160.5623.160.170.661ve3B GO:0046872 GO:0051536 GO:0051539
230.150.5233.920.200.653bkwA GO:0008152 GO:0008168 GO:0032259
240.140.5073.380.140.613cc8A
250.130.5652.760.160.664qdkA GO:0005737 GO:0008168 GO:0008757 GO:0015979 GO:0015995 GO:0016740 GO:0032259 GO:0036068 GO:0046406
260.130.5183.220.130.602pxxA GO:0000139 GO:0003824 GO:0004222 GO:0005794 GO:0006508 GO:0007267 GO:0007420 GO:0007507 GO:0008152 GO:0008168 GO:0008233 GO:0008237 GO:0010002 GO:0016020 GO:0016021 GO:0016486 GO:0016740 GO:0016787 GO:0030659 GO:0032259 GO:0046872
270.130.5993.290.140.694pneB GO:0008152 GO:0008168 GO:0016740 GO:0032259
280.110.5323.870.120.663f4kA GO:0005737 GO:0008168 GO:0008757 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
290.110.5613.050.200.665bszA GO:0008168 GO:0016740 GO:0032259
300.110.5354.070.120.683kkzA GO:0046872 GO:0051536 GO:0051539
310.070.5744.100.130.744p7cA GO:0002098 GO:0006400 GO:0008033 GO:0016300 GO:0016740 GO:0016765 GO:0030488


Consensus prediction of GO terms
 
Molecular Function GO:0008757
GO-Score 0.44
Biological Processes GO:0032259
GO-Score 0.88
Cellular Component GO:0005737
GO-Score 0.44

(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.