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I-TASSER results for job id Rv2541

[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
10.09 5 1a02F NUC Rep, Mult 91,92,95,96,98,99,102,103
20.05 3 2q6hA CXX Rep, Mult 51,52,55,56,59,98
30.04 2 2hdi1 III Rep, Mult 58,61,62,64,65,94,95,98,101,102,105
40.04 2 3ffzB NA Rep, Mult 59,64,65,67
50.02 1 5komA DMU Rep, Mult 111,115
60.02 1 1a02F NUC Rep, Mult 89,92,93,100
70.02 1 2bhwA CLA Rep, Mult 40,42
80.02 1 1uqyA XYP Rep, Mult 10,38,70,76,77
90.02 1 3f3aA TRP Rep, Mult 71,75,93
100.02 1 2q72A IXX Rep, Mult 72,100,101,104
110.02 1 3vh7E MG Rep, Mult 107,110
120.02 1 1wuuA MG Rep, Mult 75,80
130.02 1 4g28B 0W8 Rep, Mult 128,129
140.02 1 4ogqA 3WM Rep, Mult 56,104,108
150.02 1 3ty8A TAR Rep, Mult 3,39
160.02 1 3e25A 3PG Rep, Mult 43,44,45
170.02 1 1r3nF BIB Rep, Mult 39,117
180.02 1 2jfrA MG Rep, Mult 47,48
190.02 1 2c9lZ NUC Rep, Mult 96,99,102,103,104,106
200.02 1 2wl3A CA Rep, Mult 6,47

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
10.0603i9wA0.4593.420.0940.6302.7.13.364,98,102,109
20.0601ivhA0.4524.480.0280.7191.3.99.10NA
30.0602zdxA0.4714.010.0880.6892.7.11.2NA
40.0602vuaA0.3215.200.0100.6523.4.24.69NA
50.0602vg8A0.4564.350.0530.7262.4.1.218NA
60.0603ilwA0.4534.180.0690.6895.99.1.3NA
70.0603cq0A0.4574.310.0570.6962.2.1.2NA
80.0603ffzA0.5004.230.0550.7193.4.24.69115
90.0601bdgA0.4814.520.0340.7782.7.1.1NA
100.0603k9fA0.4654.370.0270.7415.99.1.-NA
110.0601u8vA0.4644.410.0800.7415.3.3.3NA
120.0602np0A0.5014.480.0360.7703.4.24.69115
130.0601jqiA0.4604.410.0750.7041.3.99.2NA
140.0602veaA0.4524.410.0800.7042.7.13.340,41
150.0603b8aX0.4804.670.0700.7782.7.1.164
160.0601z0hB0.3285.470.0470.6673.4.24.69118
170.0601bucB0.4454.080.0550.6671.3.99.2NA
180.0603d2rB0.4594.560.0260.7112.7.11.2NA
190.0603hm8A0.4824.660.0500.8152.7.1.1NA

(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
00.080.4743.650.070.651ciiA GO:0005886 GO:0016020 GO:0016021 GO:0019835 GO:0042742 GO:0050829
10.080.4303.890.020.613uunA GO:0002027 GO:0002162 GO:0003779 GO:0005200 GO:0005634 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0007517 GO:0008270 GO:0008307 GO:0009986 GO:0010880 GO:0010881 GO:0010976 GO:0014809 GO:0014819 GO:0015629 GO:0016010 GO:0016013 GO:0016020 GO:0016203 GO:0016328 GO:0017022 GO:0017166 GO:0030018 GO:0030049 GO:0030054 GO:0030055 GO:0030175 GO:0031527 GO:0033137 GO:0034613 GO:0035994 GO:0042383 GO:0043034 GO:0043043 GO:0043234 GO:0043623 GO:0044306 GO:0044458 GO:0045121 GO:0045202 GO:0045211 GO:0045666 GO:0046716 GO:0046872 GO:0048747 GO:0050998 GO:0060048 GO:0060314 GO:0086001 GO:0090287 GO:1901385 GO:1902083 GO:2000651
20.070.5004.230.060.723ffzA GO:0004222 GO:0005576 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0008320 GO:0009405 GO:0016020 GO:0016021 GO:0016787 GO:0020002 GO:0030430 GO:0033644 GO:0044156 GO:0044164 GO:0044221 GO:0044231 GO:0046872 GO:0050827 GO:0051609 GO:0071806
30.070.4094.480.030.653v0aB GO:0004222 GO:0005576 GO:0006508 GO:0009405 GO:0050827 GO:0051609
40.070.4724.700.030.833vuoA GO:0004222 GO:0005576 GO:0006508 GO:0009405 GO:0050827 GO:0051609
50.070.5093.240.070.663edvA GO:0000165 GO:0000281 GO:0003779 GO:0005088 GO:0005200 GO:0005516 GO:0005543 GO:0005634 GO:0005730 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005913 GO:0006888 GO:0007009 GO:0007182 GO:0007184 GO:0007411 GO:0008091 GO:0014731 GO:0016020 GO:0030506 GO:0030673 GO:0030863 GO:0031430 GO:0032437 GO:0043001 GO:0043547 GO:0044822 GO:0051020 GO:0051693 GO:0070062 GO:0071709 GO:0072661 GO:0097481 GO:0098609 GO:0098641 GO:1900042 GO:1903076 GO:1903078
60.070.4914.620.040.765bqnA GO:0004222 GO:0005576 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0008320 GO:0009405 GO:0016020 GO:0016021 GO:0016787 GO:0020002 GO:0030430 GO:0033644 GO:0044156 GO:0044164 GO:0044221 GO:0044231 GO:0046872 GO:0050827 GO:0051609 GO:0071806
70.070.5014.480.040.772np0A GO:0004222 GO:0005576 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0008320 GO:0009405 GO:0016020 GO:0016021 GO:0016787 GO:0020002 GO:0030430 GO:0033644 GO:0044156 GO:0044164 GO:0044221 GO:0044231 GO:0046872 GO:0050827 GO:0051609 GO:0071806
80.070.4603.530.050.643pdyB GO:0003779 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005903 GO:0005913 GO:0005925 GO:0008092 GO:0008307 GO:0016528 GO:0030054 GO:0030056 GO:0030506 GO:0031012 GO:0031581 GO:0042383 GO:0043034 GO:0043292 GO:0044822 GO:0045111 GO:0070062 GO:0098609 GO:0098641
90.070.4573.880.110.643kbuB GO:0000165 GO:0003779 GO:0005088 GO:0005200 GO:0005737 GO:0005829 GO:0005856 GO:0005938 GO:0006888 GO:0007411 GO:0008091 GO:0009986 GO:0014731 GO:0015629 GO:0030506 GO:0031235 GO:0043234 GO:0043547 GO:0051015 GO:0051693
100.060.4303.290.020.572spcA GO:0002168 GO:0003779 GO:0005509 GO:0005516 GO:0005737 GO:0005794 GO:0005811 GO:0005856 GO:0005886 GO:0005938 GO:0007009 GO:0007026 GO:0007274 GO:0007293 GO:0007294 GO:0007308 GO:0007417 GO:0008017 GO:0008091 GO:0008092 GO:0008302 GO:0008360 GO:0016199 GO:0016323 GO:0016337 GO:0030707 GO:0030721 GO:0030727 GO:0031594 GO:0042062 GO:0045169 GO:0045170 GO:0045478 GO:0046872 GO:0048134 GO:0048790 GO:0050807 GO:0051693 GO:0060429
110.060.4944.200.050.743v0aA GO:0004222 GO:0005576 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0008320 GO:0009405 GO:0016020 GO:0016021 GO:0016787 GO:0020002 GO:0030430 GO:0033644 GO:0044156 GO:0044164 GO:0044221 GO:0044231 GO:0046872 GO:0050827 GO:0051609 GO:0071806
120.060.4723.630.040.673lbxB GO:0000165 GO:0003779 GO:0005088 GO:0005200 GO:0005737 GO:0005829 GO:0005856 GO:0005938 GO:0006888 GO:0007411 GO:0008091 GO:0009986 GO:0014731 GO:0015629 GO:0030506 GO:0031235 GO:0043234 GO:0043547 GO:0051015 GO:0051693
130.060.4313.820.060.631u4qA GO:0003779 GO:0005509 GO:0005516 GO:0005737 GO:0005856 GO:0005938 GO:0046872 GO:0051693
140.060.2675.770.050.531amuA GO:0000166 GO:0003824 GO:0005524 GO:0008152 GO:0016853 GO:0016874 GO:0017000 GO:0047462
150.060.4453.850.070.643fb2B GO:0000165 GO:0003779 GO:0005088 GO:0005200 GO:0005509 GO:0005516 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005913 GO:0005938 GO:0006888 GO:0007411 GO:0008091 GO:0015630 GO:0016020 GO:0019905 GO:0031532 GO:0032403 GO:0043231 GO:0043234 GO:0043547 GO:0046872 GO:0047485 GO:0051693 GO:0070062 GO:0098609 GO:0098641 GO:1903561
160.060.4323.920.040.631s35A GO:0000165 GO:0003779 GO:0005088 GO:0005200 GO:0005737 GO:0005829 GO:0005856 GO:0005938 GO:0006888 GO:0007411 GO:0008091 GO:0009986 GO:0014731 GO:0015629 GO:0030506 GO:0031235 GO:0043234 GO:0043547 GO:0051015 GO:0051693
170.060.3585.600.020.734us3A GO:0005328 GO:0006810 GO:0006836 GO:0015293 GO:0016020 GO:0016021 GO:0055085
180.060.4734.490.030.745i6xA GO:0001666 GO:0005328 GO:0005335 GO:0005768 GO:0005829 GO:0005886 GO:0005887 GO:0006810 GO:0006836 GO:0006837 GO:0007268 GO:0007420 GO:0007584 GO:0007613 GO:0007623 GO:0008504 GO:0009636 GO:0010008 GO:0010033 GO:0010628 GO:0012505 GO:0015222 GO:0015293 GO:0015844 GO:0016020 GO:0016021 GO:0017022 GO:0017075 GO:0017137 GO:0019811 GO:0021794 GO:0021941 GO:0032227 GO:0032355 GO:0035176 GO:0042310 GO:0042493 GO:0042713 GO:0042803 GO:0043005 GO:0045121 GO:0045665 GO:0045787 GO:0046621 GO:0046872 GO:0048854 GO:0050998 GO:0051015 GO:0051259 GO:0051260 GO:0051610 GO:0055085 GO:0071300 GO:0071310 GO:0071321 GO:0098793


Consensus prediction of GO terms
 
Molecular Function GO:0008237 GO:0005102 GO:0004175
GO-Score 0.37 0.37 0.37
Biological Processes GO:0051704 GO:0051581 GO:0019538
GO-Score 0.37 0.37 0.37
Cellular Component GO:0071944
GO-Score 0.31

(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.