[Home] [Server] [About] [Statistics] [Annotation]

I-TASSER results for job id Rv3169

[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
10.06 3 3t24A C8E Rep, Mult 34,51,52,62
20.04 2 3ig8A MG Rep, Mult 32,177
30.04 2 2qc8D MN Rep, Mult 34,175,177
40.04 2 3lj7A OHO Rep, Mult 65,66,110,113,114,115
50.02 1 2oizA TSR Rep, Mult 147,150,185
60.02 1 2x56A C8E Rep, Mult 154,155,156,165
70.02 1 3akgA AHR Rep, Mult 53,54,79
80.02 1 1bosA UUU Rep, Mult 160,179
90.02 1 2i44A CA Rep, Mult 37,207,313
100.02 1 3i8gH NUC Rep, Mult 54,90
110.02 1 3okwB UUU Rep, Mult 340,342,345
120.02 1 3rj8A ZN Rep, Mult 121,125
130.02 1 1b0pA SF4 Rep, Mult 49,76,77,78,79,93,109,110,111
140.02 1 3k83B 1DO Rep, Mult 47,48,49,118
150.02 1 1vykA ZN Rep, Mult 76,112
160.02 1 3k6dA ZN Rep, Mult 99,176
170.02 1 2vk6A MG Rep, Mult 55,56
180.02 1 1z9yA ZN Rep, Mult 37,39
190.02 1 2gtfX P1R Rep, Mult 106,108,116,118
200.02 1 2ydtA MN Rep, Mult 354,362

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
10.0602wk5A0.3696.320.0740.5802.4.2.494
20.0603h71B0.3676.850.0510.6233.2.1.18NA
30.0601y4wA0.3716.960.0510.6263.2.1.8040
40.0603fedA0.3146.860.0420.5293.4.17.21NA
50.0602ebsB0.3836.640.0530.6233.2.1.150NA
60.0602bixA0.3666.220.0520.5751.14.99.-147
70.0603fsnB0.3636.340.0430.5785.2.1.7113,154,157
80.0602ac1A0.3706.910.0430.6183.2.1.2640
90.0602w68C0.2106.100.0650.3243.2.1.18117
100.0601yiqA0.3617.020.0550.6201.1.99.-NA
110.0601kitA0.3626.970.0500.6073.2.1.18NA
120.0601sliA0.3816.830.0700.6394.2.2.15,3.2.1.18NA
130.0601lrwC0.3567.000.0650.6041.1.99.8114
140.0601oygA0.3637.080.0340.6202.4.1.10NA
150.0601lrwA0.3556.980.0610.6021.1.99.8NA
160.0601z4zA0.3606.630.0340.5863.2.1.18NA
170.0601oqzB0.3706.250.0450.5803.5.1.93NA
180.0601st8A0.3706.760.0520.6103.2.1.80NA
190.0603dt7A0.3636.870.0420.6044.1.1.32NA

(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
00.120.3116.980.050.541hfeL GO:0005506 GO:0008901 GO:0016491 GO:0042597 GO:0046872 GO:0051536 GO:0051539 GO:0055114
10.090.6872.740.150.772ichB
20.060.3836.680.050.641b0pA GO:0003824 GO:0005506 GO:0005737 GO:0006086 GO:0008152 GO:0016491 GO:0016903 GO:0019164 GO:0022900 GO:0030976 GO:0046872 GO:0051536 GO:0051539 GO:0055114
30.060.3886.620.060.634p07A GO:0004062 GO:0016740 GO:0042597 GO:0047686
40.060.3206.520.030.524g56D GO:0005634 GO:0005737 GO:0005829 GO:0034709 GO:0035097
50.060.2997.280.030.535e7qA GO:0003824 GO:0008152
60.060.3205.710.040.475htrA GO:0004856 GO:0005737 GO:0005975 GO:0009507 GO:0009536 GO:0016301 GO:0016310 GO:0016773
70.060.3147.340.050.561a0eA GO:0000287 GO:0005737 GO:0005975 GO:0006098 GO:0009045 GO:0016853 GO:0042732 GO:0046872
80.060.3137.320.050.563cf4A GO:0003824 GO:0005506 GO:0006084 GO:0015948 GO:0016151 GO:0016491 GO:0018492 GO:0019385 GO:0043885 GO:0046872 GO:0051536 GO:0051539 GO:0055114
90.060.2916.300.050.463or1B GO:0006790 GO:0009055 GO:0016491 GO:0018551 GO:0020037 GO:0046872 GO:0051536 GO:0051539 GO:0055114
100.060.2637.750.060.505c4iA GO:0003824 GO:0008152 GO:0016491 GO:0016625 GO:0033611 GO:0055114
110.060.2667.130.050.475exeC GO:0003824 GO:0016491 GO:0016625 GO:0030976 GO:0033611 GO:0046872 GO:0051536 GO:0051539 GO:0055114
120.060.2696.450.100.433rg0A GO:0000122 GO:0001669 GO:0001948 GO:0002479 GO:0002502 GO:0003729 GO:0005178 GO:0005506 GO:0005509 GO:0005576 GO:0005615 GO:0005634 GO:0005737 GO:0005783 GO:0005788 GO:0005790 GO:0005794 GO:0005829 GO:0005844 GO:0005925 GO:0006457 GO:0006611 GO:0006898 GO:0007050 GO:0007283 GO:0008284 GO:0009897 GO:0009986 GO:0010033 GO:0010628 GO:0016020 GO:0016529 GO:0017148 GO:0030246 GO:0030866 GO:0031012 GO:0031625 GO:0032355 GO:0033018 GO:0033144 GO:0033574 GO:0034504 GO:0040020 GO:0042277 GO:0042493 GO:0042562 GO:0042824 GO:0043231 GO:0043234 GO:0044822 GO:0045335 GO:0045665 GO:0045740 GO:0045787 GO:0045892 GO:0046872 GO:0048387 GO:0048471 GO:0050681 GO:0050766 GO:0050821 GO:0051082 GO:0055007 GO:0061077 GO:0070062 GO:0071285 GO:0071310 GO:0090398 GO:1900026 GO:1901224 GO:2000510
130.060.2486.930.050.414ddgA GO:0000151 GO:0000166 GO:0000209 GO:0002223 GO:0002250 GO:0002376 GO:0004842 GO:0004843 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0006281 GO:0006464 GO:0006508 GO:0006511 GO:0006974 GO:0008233 GO:0008234 GO:0016567 GO:0016579 GO:0016740 GO:0016787 GO:0019784 GO:0031625 GO:0035666 GO:0036459 GO:0038095 GO:0043130 GO:0043234 GO:0050852 GO:0051865 GO:0061418 GO:0061631 GO:0070062 GO:0070936 GO:0071108 GO:0071347 GO:1901315 GO:2000780
140.060.2016.530.040.323lecA GO:0016429 GO:0030488 GO:0046872
150.060.2145.740.020.323kr9A GO:0008168 GO:0016429 GO:0016740 GO:0030488 GO:0032259
160.060.2116.520.020.342b76B GO:0000104 GO:0005829 GO:0006099 GO:0006113 GO:0008177 GO:0009055 GO:0009061 GO:0016020 GO:0016491 GO:0044780 GO:0045284 GO:0046872 GO:0051536 GO:0051537 GO:0051538 GO:0051539 GO:0055114 GO:0071973
170.060.2106.230.040.331k3zD GO:0005634 GO:0005737 GO:0005829 GO:0007165 GO:0007253 GO:0071222
180.060.2066.590.050.342izpA GO:0005576 GO:0009405


Consensus prediction of GO terms
 
Molecular Function GO:0046914 GO:0051536
GO-Score 0.36 0.36
Biological Processes GO:0044710
GO-Score 0.36
Cellular Component GO:0005623
GO-Score 0.36

(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.