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I-TASSER results for job id Rv1043c

[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
10.53 77 3qo6A III Rep, Mult 160,275,276,277,279,295,296,297,298,299,300
20.13 15 3pv3C III Rep, Mult 144,160,161,276,277,279
30.09 20 3stjI III Rep, Mult 339,340,341
40.03 7 2r3yA III Rep, Mult 197,262,263,264,265,339,340,341
50.02 4 3mh5B DFP Rep, Mult 232,236,247,249,273,274,277,278
60.01 2 3otpA III Rep, Mult 160,261,276,277,279,295,296,297,298,299,339,340,341
70.01 2 1c1uH ZN Rep, Mult 160,279
80.00 1 2z9iB III Rep, Mult 160,199,260,261,276,277,279,295,296,297,302,304,305,315
90.00 1 3lgyA MG Rep, Mult 250,271
100.00 1 1sozB III Rep, Mult 262
110.00 1 3e3tA I3C Rep, Mult 219,220,320,321,324

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
10.4451qy6A0.5102.890.1730.5753.4.21.19160,199,277
20.4252as9A0.4862.930.1670.5513.4.21.-160,199,277,279
30.2332vidB0.4842.750.1900.5403.4.21.-160,199,235,279
40.2302j92A0.4592.970.1240.5253.4.22.28160
50.1513gdvA0.5722.620.2430.6253.4.21.-160,199,277
60.1402wv4A0.4592.890.1290.5253.4.22.28NA
70.0701eufA0.5053.260.1290.5873.4.21.-157
80.0691jwtA0.5143.930.1040.6253.4.21.5160,199,277,279,280
90.0691gj5H0.4953.540.1320.5893.4.21.5160,199,277,279,280
100.0673rp2A0.5033.350.1180.5873.4.21.-157,288
110.0671fq3A0.5093.320.1320.5923.4.21.79NA
120.0671kltA0.5083.390.1510.5953.4.21.39157,274
130.0671fi8B0.5063.350.1180.5893.4.21.-274
140.0602ok5A0.5634.880.1000.7453.4.21.47160,199,277,279,280
150.0601pjpA0.5123.360.1410.5953.4.21.39124,237,279
160.0602qf3A0.5352.090.2410.5723.4.21.-160,247,279
170.0601esbA0.5133.480.1230.6073.4.21.36160,199,277,279,280
180.0601ky9B0.5342.850.2210.5893.4.21.-160,199,277
190.0601rs0A0.5094.390.1060.6423.4.21.47NA
200.0601op0A0.5113.410.1390.6013.4.21.-160
210.0608gchF0.2883.440.1190.3403.4.21.1122,157,160
220.0601lcyA0.5102.790.2200.5663.4.21.108NA
230.0601a5iA0.5223.540.0900.6223.4.21.68NA
240.0601l1jA0.5362.400.2380.5843.4.21.-160,199,277,279
250.0601kdqB0.1973.440.0850.2373.4.21.1NA
260.0601pytD0.5183.720.1380.6283.4.21.2157
270.0601ab9B0.2903.620.1100.3463.4.21.1160
280.0601o5fH0.5083.560.1530.6043.4.21.106NA
290.0601bbrH0.2993.410.1210.3553.4.21.5NA

(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
00.330.4592.970.120.522j92A GO:0000166 GO:0001172 GO:0003723 GO:0003724 GO:0003968 GO:0004197 GO:0004386 GO:0005198 GO:0005216 GO:0005524 GO:0006351 GO:0006417 GO:0006508 GO:0006810 GO:0006811 GO:0008233 GO:0008234 GO:0016020 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0017111 GO:0018144 GO:0019012 GO:0019028 GO:0019030 GO:0019062 GO:0019082 GO:0030430 GO:0033644 GO:0034220 GO:0039520 GO:0039525 GO:0039544 GO:0039611 GO:0039690 GO:0039694 GO:0039707 GO:0044161 GO:0044162 GO:0044385 GO:0046718 GO:0051259 GO:0075509 GO:0075512
10.290.4862.330.220.523stiA GO:0004252 GO:0006508 GO:0008233 GO:0008236 GO:0016787 GO:0042597 GO:0042802 GO:0051603 GO:0071575
20.290.4872.200.260.523nwuB GO:0001558 GO:0001890 GO:0004252 GO:0005520 GO:0005576 GO:0005615 GO:0005737 GO:0005829 GO:0005886 GO:0006508 GO:0008233 GO:0008236 GO:0016020 GO:0016787 GO:0019838 GO:0022617 GO:0030512 GO:0030514 GO:0031012 GO:0050679 GO:0050687 GO:0060718 GO:0070062 GO:0097187
30.290.4922.740.170.554mvnD GO:0004252 GO:0005576 GO:0006508 GO:0008233 GO:0008236 GO:0016787
40.280.5073.710.200.615c2zA GO:0004252 GO:0006508 GO:0008233 GO:0008236 GO:0016787
50.270.4972.400.240.543lgwA GO:0004252 GO:0005886 GO:0006508 GO:0008233 GO:0008236 GO:0016020 GO:0016021 GO:0016787 GO:0030288 GO:0031226 GO:0071218 GO:0071575
60.270.4873.010.190.554k1tC GO:0004252 GO:0005576 GO:0006508 GO:0008233 GO:0008236 GO:0016787
70.260.5002.660.190.554inkA GO:0005576 GO:0006508 GO:0008233 GO:0008236 GO:0016787
80.260.5982.000.230.643qo6B GO:0004252 GO:0005634 GO:0006508 GO:0008233 GO:0008236 GO:0009507 GO:0009534 GO:0009535 GO:0009536 GO:0009579 GO:0009735 GO:0010206 GO:0016020 GO:0016787 GO:0030163 GO:0031977
90.250.5352.100.210.575jd8A GO:0004252 GO:0006508 GO:0008233 GO:0016020 GO:0016021 GO:0016787
100.230.4932.470.200.545hmaA GO:0004252 GO:0005886 GO:0006508 GO:0008233 GO:0016020 GO:0016021
110.230.5171.990.230.553mh5A GO:0004252 GO:0005886 GO:0006457 GO:0006508 GO:0006515 GO:0006979 GO:0008233 GO:0008236 GO:0009266 GO:0016020 GO:0016787 GO:0030288 GO:0042802
120.220.5092.800.280.574ri0A GO:0001558 GO:0004175 GO:0004252 GO:0005520 GO:0005576 GO:0006508 GO:0008233 GO:0008236 GO:0016787 GO:0030512 GO:0030514
130.220.5762.580.240.631sozC GO:0004252 GO:0005886 GO:0006508 GO:0008233 GO:0008236 GO:0016020 GO:0016021 GO:0016787 GO:0030288 GO:0031226 GO:0071218 GO:0071575
140.220.5492.260.240.593nziA GO:0001558 GO:0001890 GO:0004252 GO:0005520 GO:0005576 GO:0005615 GO:0005737 GO:0005829 GO:0005886 GO:0006508 GO:0008233 GO:0008236 GO:0016020 GO:0016787 GO:0019838 GO:0022617 GO:0030512 GO:0030514 GO:0031012 GO:0050679 GO:0050687 GO:0060718 GO:0070062 GO:0097187
150.220.5692.100.210.604ynnA GO:0004252 GO:0006508 GO:0008233 GO:0016787
160.220.4573.030.110.525hm2A GO:0000166 GO:0001172 GO:0003723 GO:0003724 GO:0003968 GO:0004197 GO:0004386 GO:0005524 GO:0006351 GO:0006508 GO:0008233 GO:0008234 GO:0016740 GO:0016779 GO:0016787 GO:0039694
170.210.5102.880.170.574jcnA GO:0004252 GO:0005576 GO:0006508 GO:0008233 GO:0008236 GO:0009405 GO:0016787
180.210.5481.830.220.582z9iA GO:0004252 GO:0005576 GO:0006508 GO:0006950 GO:0008233 GO:0008236 GO:0009405 GO:0016020 GO:0016021 GO:0030163
190.210.5342.850.220.591ky9B GO:0004252 GO:0005886 GO:0006457 GO:0006508 GO:0006515 GO:0006979 GO:0008233 GO:0008236 GO:0009266 GO:0016020 GO:0016787 GO:0030288 GO:0042802
200.200.4963.280.180.581fn8A GO:0004252 GO:0005576 GO:0006508 GO:0008233 GO:0008236 GO:0016787
210.190.5282.330.200.574flnB GO:0004252 GO:0006508 GO:0008233 GO:0008236 GO:0009507 GO:0009533 GO:0009535 GO:0009536 GO:0009570 GO:0009579 GO:0009658 GO:0009941 GO:0010206 GO:0016020 GO:0016787 GO:0030163
220.180.5292.520.230.584ic5A GO:0004252 GO:0006508 GO:0008233 GO:0008236 GO:0009507 GO:0009536 GO:0009543 GO:0009579 GO:0010206 GO:0016787 GO:0031977
230.180.5362.400.240.581l1jA GO:0004252 GO:0006508 GO:0008233
240.170.5303.360.170.621agjA GO:0004252 GO:0006508 GO:0008233 GO:0008236 GO:0016787
250.160.5033.550.200.601qtfA GO:0004252 GO:0006508 GO:0008233 GO:0008236 GO:0016787
260.160.5543.360.230.641te0A GO:0004252 GO:0005886 GO:0006508 GO:0008233 GO:0008236 GO:0016020 GO:0016021 GO:0016787 GO:0030288 GO:0031226 GO:0071218 GO:0071575
270.130.5102.790.220.571lcyA GO:0000785 GO:0004252 GO:0005634 GO:0005739 GO:0005758 GO:0005783 GO:0005789 GO:0005829 GO:0005856 GO:0006508 GO:0006672 GO:0006915 GO:0007005 GO:0007628 GO:0008233 GO:0008236 GO:0008344 GO:0008630 GO:0009635 GO:0009898 GO:0010942 GO:0016020 GO:0016021 GO:0016540 GO:0016787 GO:0019742 GO:0030900 GO:0031966 GO:0034599 GO:0034605 GO:0035458 GO:0035631 GO:0040014 GO:0043065 GO:0043280 GO:0044257 GO:0045786 GO:0048666 GO:0051082 GO:0060548 GO:0071300 GO:0071363 GO:0097193 GO:0097194 GO:1901215 GO:1902176 GO:1903146 GO:1903955 GO:2001241 GO:2001269
280.120.5672.540.200.634ic6A GO:0004252 GO:0006508 GO:0008233 GO:0008236 GO:0009507 GO:0009534 GO:0009536 GO:0009543 GO:0009579 GO:0010206 GO:0016787 GO:0031977
290.070.5731.780.200.604a8cA GO:0004252 GO:0006508 GO:0008233 GO:0008236 GO:0016787 GO:0042597 GO:0042802 GO:0051603 GO:0071575
300.070.5472.720.210.603k6yA GO:0001101 GO:0004252 GO:0005576 GO:0005618 GO:0005886 GO:0005887 GO:0006508 GO:0008233 GO:0009403 GO:0009405 GO:0016020 GO:0016021 GO:0016787


Consensus prediction of GO terms
 
Molecular Function GO:0004252 GO:0005515 GO:0003724 GO:0005198 GO:0003723 GO:0004197 GO:0005524 GO:0003968 GO:0005216
GO-Score 0.74 0.59 0.33 0.33 0.33 0.33 0.33 0.33 0.33
Biological Processes GO:0044257 GO:0030154 GO:0017015 GO:0044702 GO:0040008 GO:0016049 GO:0030198 GO:0030510 GO:0050678 GO:0048646 GO:0090101 GO:1903845 GO:0060717 GO:0051128 GO:0022411 GO:0042475 GO:0008284 GO:0048608 GO:0019062 GO:0001172 GO:0051259 GO:0075512 GO:0039611 GO:0019082 GO:0039690 GO:0039707 GO:0039520 GO:0018144 GO:0039544 GO:0039525 GO:0034220
GO-Score 0.59 0.58 0.58 0.58 0.58 0.58 0.58 0.58 0.58 0.58 0.58 0.58 0.58 0.58 0.58 0.58 0.58 0.58 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33
Cellular Component GO:0005887 GO:0031233 GO:1903561 GO:0044444 GO:0031988 GO:0044385 GO:0044162 GO:0019030
GO-Score 0.59 0.59 0.58 0.58 0.58 0.33 0.33 0.33

(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.