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I-TASSER results for job id Rv1903

[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
10.14 11 3u3cA III Rep, Mult 6,9,10,13,121
20.07 6 3ag4P CDL Rep, Mult 6,10,13,17,20,118,121,122
30.05 4 1ow8C III Rep, Mult 40,43,44,47,51,54,68,71,75,78,79
40.04 3 2einC CDL Rep, Mult 61,65,68
50.03 2 1uo4B PIH Rep, Mult 67,71
60.03 2 5dwkA 78N Rep, Mult 47,72,75,76,79,84
70.03 2 5d57C 78M Rep, Mult 46,49,50,53,117
80.02 2 3b71A III Rep, Mult 14,17,111,114,118
90.01 1 2h2pA SEK Rep, Mult 78,82
100.01 1 4uxzD 79N Rep, Mult 49,56,57,132
110.01 1 3k2sA CLR Rep, Mult 84,109,112,113
120.01 1 2plyA CA Rep, Mult 56,98
130.01 1 1ow6A III Rep, Mult 111,114,115,118,121
140.01 1 3kziK CLA Rep, Mult 56,57,60
150.01 1 5d56C 78M Rep, Mult 43,53,75,78,124
160.01 1 2np5A NDS Rep, Mult 4,7
170.01 1 3whnA CFO Rep, Mult 9,46,47,50,67,71,117,120,121,124

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
10.3232ksfA0.5692.990.0790.7392.7.13.342,76,109
20.1411k04A0.5843.090.0700.7762.7.10.2110
30.1371tqgA0.5482.730.0310.7312.7.13.311,47,69
40.1171q0mD0.5992.780.0480.7761.15.1.134
50.1012npuA0.5053.160.0630.7092.7.11.1121
60.0661i5nD0.5532.990.0470.7162.7.13.314,38,46,70,78
70.0661wcrA0.5192.900.0650.6942.7.1.6961
80.0662e2aA0.4913.030.0540.6492.7.1.69NA
90.0603no9A0.5984.100.1010.9404.2.1.2NA
100.0602rd3D0.5823.530.0530.8133.5.99.272
110.0601m56A0.6083.990.1050.9631.9.3.1NA
120.0602fenD0.5933.730.0230.8435.5.1.2NA
130.0603gzhA0.5763.730.0380.8364.3.2.2NA
140.0601jtnA0.2965.190.0330.5153.2.1.17NA
150.0601qleC0.6962.850.0650.9251.9.3.1110
160.0603g4xA0.5932.840.0770.7761.15.1.149
170.0602epoA0.5693.380.0400.7843.2.1.52NA
180.0603gtdA0.5884.390.0380.9634.2.1.2NA
190.0601c3cA0.5843.830.0320.8514.3.2.2NA
200.0602a06C0.5864.030.0820.9101.10.2.2NA
210.0601xzpA0.5964.090.1090.9103.6.5.-78
220.0603eziA0.6182.510.0680.7692.7.13.315
230.0603gm1B0.7023.050.0700.9402.7.10.279,109
240.0603g61A0.6444.030.0520.9633.6.3.44NA
250.0603e04D0.5913.950.0630.9334.2.1.2NA
260.0601xmeA0.6443.780.1150.9631.9.3.173,74
270.0601dcnB0.5833.250.0550.7984.3.2.1NA

(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
00.280.6592.850.070.881oedE GO:0004889 GO:0005216 GO:0005230 GO:0005886 GO:0006810 GO:0006811 GO:0016020 GO:0016021 GO:0030054 GO:0034220 GO:0045202 GO:0045211 GO:0098655
10.280.8102.330.090.972mawA GO:0000187 GO:0001540 GO:0001666 GO:0004889 GO:0005216 GO:0005230 GO:0005886 GO:0005892 GO:0006810 GO:0006811 GO:0006816 GO:0006874 GO:0007165 GO:0007271 GO:0007613 GO:0008284 GO:0015276 GO:0015464 GO:0015643 GO:0016020 GO:0016021 GO:0017081 GO:0022848 GO:0030054 GO:0032720 GO:0034220 GO:0035094 GO:0042166 GO:0042803 GO:0045202 GO:0045211 GO:0045766 GO:0050890 GO:0098655 GO:0099565
20.240.6263.320.030.871oedC GO:0004889 GO:0005216 GO:0005230 GO:0005886 GO:0006810 GO:0006811 GO:0016020 GO:0016021 GO:0030054 GO:0034220 GO:0045202 GO:0045211 GO:0098655
30.230.6632.960.070.901oedB GO:0004889 GO:0005216 GO:0005230 GO:0005886 GO:0006810 GO:0006811 GO:0016020 GO:0016021 GO:0030054 GO:0034220 GO:0045202 GO:0045211 GO:0098655
40.230.7392.370.060.902l7nA GO:0001726 GO:0003779 GO:0005178 GO:0005200 GO:0005737 GO:0005815 GO:0005856 GO:0005886 GO:0005925 GO:0007016 GO:0007044 GO:0007155 GO:0009986 GO:0016020 GO:0017166 GO:0030054 GO:0030274 GO:0030866 GO:0032403 GO:0032587 GO:0042995 GO:0051015 GO:0070062 GO:0070527
50.220.6563.420.100.944aq5A GO:0004889 GO:0005216 GO:0005230 GO:0005886 GO:0006810 GO:0006811 GO:0016020 GO:0016021 GO:0030054 GO:0034220 GO:0045202 GO:0045211 GO:0098655
60.220.6572.990.070.901oedA GO:0004889 GO:0005216 GO:0005230 GO:0005886 GO:0006810 GO:0006811 GO:0016020 GO:0016021 GO:0030054 GO:0034220 GO:0045202 GO:0045211 GO:0098655
70.210.6443.340.080.922ksrA GO:0001508 GO:0001661 GO:0001666 GO:0004889 GO:0005216 GO:0005230 GO:0005886 GO:0005892 GO:0006810 GO:0006811 GO:0006816 GO:0006939 GO:0007165 GO:0007271 GO:0007274 GO:0007601 GO:0007605 GO:0007612 GO:0007613 GO:0007626 GO:0008144 GO:0008306 GO:0008542 GO:0009897 GO:0014059 GO:0015276 GO:0015464 GO:0016020 GO:0016021 GO:0019233 GO:0021562 GO:0021631 GO:0021771 GO:0021952 GO:0021955 GO:0030054 GO:0030890 GO:0032225 GO:0032226 GO:0033603 GO:0035094 GO:0035095 GO:0035176 GO:0042053 GO:0042113 GO:0042166 GO:0042220 GO:0042320 GO:0042391 GO:0045188 GO:0045202 GO:0045211 GO:0045471 GO:0045759 GO:0046982 GO:0048814 GO:0050877 GO:0050890 GO:0051291 GO:0051899 GO:0051963 GO:0060084 GO:0098655 GO:0099565
80.210.6763.360.150.954aq5E GO:0004889 GO:0005216 GO:0005230 GO:0005886 GO:0006810 GO:0006811 GO:0016020 GO:0016021 GO:0030054 GO:0034220 GO:0045202 GO:0045211 GO:0098655
90.200.6463.100.120.874pirC GO:0004889 GO:0004993 GO:0005230 GO:0005232 GO:0005886 GO:0005892 GO:0006810 GO:0006811 GO:0007210 GO:0007271 GO:0015276 GO:0015464 GO:0016020 GO:0016021 GO:0022850 GO:0030054 GO:0034220 GO:0042166 GO:0045202 GO:0045211 GO:0051378 GO:0098655 GO:1904602
100.200.7532.960.010.963o1jA GO:0000155 GO:0000160 GO:0000166 GO:0004673 GO:0004871 GO:0005524 GO:0005622 GO:0007165 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0018106 GO:0023014
110.190.6982.780.070.902kvpA GO:0001726 GO:0003779 GO:0005178 GO:0005200 GO:0005737 GO:0005815 GO:0005856 GO:0005886 GO:0005925 GO:0007016 GO:0007044 GO:0007155 GO:0009986 GO:0016020 GO:0017166 GO:0030054 GO:0030274 GO:0030866 GO:0032403 GO:0032587 GO:0042995 GO:0051015 GO:0070062 GO:0070527
120.180.7352.380.070.913fyqA GO:0001726 GO:0003779 GO:0005158 GO:0005178 GO:0005200 GO:0005856 GO:0005925 GO:0006909 GO:0007016 GO:0007155 GO:0007298 GO:0007390 GO:0007430 GO:0007475 GO:0007526 GO:0008360 GO:0016203 GO:0033627 GO:0035160 GO:0045214 GO:0045892 GO:0051015 GO:0060439 GO:0086042
130.180.7472.790.020.943i9yA GO:0000155 GO:0000160 GO:0000166 GO:0004673 GO:0004871 GO:0005524 GO:0005622 GO:0007165 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0018106 GO:0023014
140.170.7212.840.050.945ic0A GO:0001726 GO:0003779 GO:0005178 GO:0005200 GO:0005737 GO:0005815 GO:0005856 GO:0005886 GO:0005925 GO:0007016 GO:0007044 GO:0007155 GO:0009986 GO:0016020 GO:0017166 GO:0030054 GO:0030274 GO:0030866 GO:0032403 GO:0032587 GO:0042995 GO:0051015 GO:0070062 GO:0070527
150.160.6273.070.080.842lm2A GO:0001508 GO:0001661 GO:0001666 GO:0004889 GO:0005216 GO:0005230 GO:0005886 GO:0005892 GO:0006810 GO:0006811 GO:0006816 GO:0006939 GO:0007165 GO:0007271 GO:0007274 GO:0007601 GO:0007605 GO:0007612 GO:0007613 GO:0007626 GO:0008144 GO:0008306 GO:0008542 GO:0009897 GO:0014059 GO:0015276 GO:0015464 GO:0016020 GO:0016021 GO:0019233 GO:0021562 GO:0021631 GO:0021771 GO:0021952 GO:0021955 GO:0030054 GO:0030890 GO:0032225 GO:0032226 GO:0033603 GO:0035094 GO:0035095 GO:0035176 GO:0042053 GO:0042113 GO:0042166 GO:0042220 GO:0042320 GO:0042391 GO:0045188 GO:0045202 GO:0045211 GO:0045471 GO:0045759 GO:0046982 GO:0048814 GO:0050877 GO:0050890 GO:0051291 GO:0051899 GO:0051963 GO:0060084 GO:0098655 GO:0099565
160.160.6803.210.100.943i9wA GO:0000155 GO:0000160 GO:0000166 GO:0004673 GO:0004721 GO:0004871 GO:0005524 GO:0005622 GO:0005886 GO:0006470 GO:0007165 GO:0009061 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0016868 GO:0018106 GO:0023014 GO:0046777 GO:0071310
170.150.6313.470.090.924aq5C GO:0004889 GO:0005216 GO:0005230 GO:0005886 GO:0006810 GO:0006811 GO:0016020 GO:0016021 GO:0030054 GO:0034220 GO:0045202 GO:0045211 GO:0098655
180.130.7552.770.080.963dyjA GO:0001726 GO:0003779 GO:0005178 GO:0005200 GO:0005737 GO:0005815 GO:0005856 GO:0005886 GO:0005925 GO:0007016 GO:0007044 GO:0007155 GO:0009986 GO:0016020 GO:0017166 GO:0030054 GO:0030274 GO:0030866 GO:0032403 GO:0032587 GO:0042995 GO:0051015 GO:0070062 GO:0070527


Consensus prediction of GO terms
 
Molecular Function GO:0004889 GO:0042277 GO:0042165 GO:0015464 GO:0046983 GO:0070405 GO:0022824 GO:0016247 GO:0042802 GO:0032403 GO:0005102 GO:0050839 GO:0005198 GO:0019904 GO:0008092
GO-Score 0.70 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.46 0.46 0.46 0.46 0.46 0.46
Biological Processes GO:0098655 GO:0042127 GO:0072503 GO:1903556 GO:0045765 GO:0014070 GO:0070838 GO:0032680 GO:0055074 GO:0036293 GO:0007611 GO:0006875 GO:1904018 GO:0032147 GO:0043406 GO:0007268 GO:0043279 GO:1905114 GO:0032507 GO:0030865 GO:0030168 GO:0034109 GO:0034329 GO:0030036
GO-Score 0.70 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.46 0.46 0.46 0.46 0.46 0.46
Cellular Component GO:0045211 GO:0034702 GO:0005887 GO:0098802 GO:0031253 GO:1903561 GO:0031988 GO:0005924 GO:0031256 GO:0015630 GO:0044430
GO-Score 0.70 0.56 0.56 0.56 0.46 0.46 0.46 0.46 0.46 0.46 0.46

(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.