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I-TASSER results for job id Rv0342

[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
10.36 19 1fzqA GDP Rep, Mult 79,80,81,82,83,84,85,233,234,236,237,265,266,267
20.03 2 3t34A MG Rep, Mult 84,104
30.03 2 2vdcA F3S Rep, Mult 261,262,263,264,265,266,286,290
40.03 2 1f5nA GNP Rep, Mult 79,80,81,82,83,84,85,98,99,100,178,233,234
50.03 2 2w6dA CPL Rep, Mult 512,514,515,516,517,518
60.03 2 2w6dA CPL Rep, Mult 517,519,532,533
70.02 1 2w6dB CPL Rep, Mult 412,415,493,494,496,497,498,500,501,504,505,508,520,527,528,537,540
80.02 1 1jb0B CL1 Rep, Mult 165,166,167,171
90.02 1 1tq2B MG Rep, Mult 84,175
100.02 1 1lm1A F3S Rep, Mult 75,76,77,78,79,82,98,99

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
10.0601skqA0.3226.330.0950.4473.6.5.3NA
20.0603dnyT0.2926.360.0970.3893.6.5.3NA
30.0601ob2A0.3045.550.1130.3843.6.1.48NA
40.0603hmjA0.3147.980.0470.5092.3.1.86NA
50.0601z8lA0.3177.560.0490.4813.4.17.21NA
60.0603iayA0.3057.880.0580.4942.7.7.774,86
70.0602cseW0.3167.750.0390.4953.6.4.13NA
80.0602vuaA0.1897.630.0200.2973.4.24.69282
90.0601kwgA0.3087.660.0580.4813.2.1.23NA
100.0601llwA0.3667.650.0670.5771.4.7.1NA
110.0602vycA0.3116.790.0520.4474.1.1.19NA
120.0601a47A0.3077.820.0480.4842.4.1.19NA
130.0602vdcA0.3318.660.0430.5751.4.1.13NA
140.0602e1rA0.3246.310.1090.4343.6.5.3NA
150.0601d7fA0.3057.300.0230.4522.4.1.19NA
160.0601fo4A0.3097.790.0490.4911.17.1.4NA
170.0601w6jA0.3227.830.0530.5145.4.99.7NA
180.0602vdcF0.3368.580.0470.5781.4.1.1399
190.0603ffzA0.3097.920.0460.4783.4.24.69NA

(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
00.450.8663.530.120.962j68A GO:0000166 GO:0003924 GO:0005525 GO:0005886 GO:0008289 GO:0016020 GO:0016021 GO:0016787
10.120.3765.960.090.504cidA GO:0000166 GO:0005509 GO:0005524 GO:0005525 GO:0005737 GO:0005768 GO:0005829 GO:0005886 GO:0005901 GO:0006897 GO:0010008 GO:0016020 GO:0016787 GO:0019898 GO:0019904 GO:0030036 GO:0030866 GO:0032456 GO:0046872 GO:0048471 GO:0055038 GO:0070062 GO:0072659 GO:0097320 GO:1901741 GO:2001137
20.080.3804.340.130.453w6nB GO:0000166 GO:0000266 GO:0001836 GO:0003374 GO:0003924 GO:0005525 GO:0005737 GO:0005739 GO:0005741 GO:0005777 GO:0005794 GO:0005829 GO:0005874 GO:0005903 GO:0005905 GO:0006897 GO:0006921 GO:0008289 GO:0010821 GO:0012501 GO:0012505 GO:0015630 GO:0016020 GO:0016559 GO:0016787 GO:0030054 GO:0030672 GO:0031410 GO:0031625 GO:0032459 GO:0042802 GO:0042803 GO:0043065 GO:0043231 GO:0043234 GO:0043653 GO:0045202 GO:0048471 GO:0050714 GO:0051289 GO:0060047 GO:0061025 GO:0070266 GO:0070584 GO:0070585 GO:0090141 GO:0090149 GO:0090200 GO:1900063 GO:1903146 GO:1903578 GO:2001244
30.060.3884.030.150.453t34B GO:0000166 GO:0000911 GO:0003924 GO:0005525 GO:0005737 GO:0005773 GO:0005774 GO:0005829 GO:0005856 GO:0005874 GO:0005886 GO:0007049 GO:0009504 GO:0009506 GO:0009524 GO:0009535 GO:0009793 GO:0009920 GO:0010051 GO:0010091 GO:0016787 GO:0030276 GO:0043424 GO:0051301 GO:0072583
40.060.3705.930.090.504aurA GO:0005525
50.060.3266.920.040.485a3fB GO:0000166 GO:0001917 GO:0003924 GO:0005525 GO:0005737 GO:0005739 GO:0005794 GO:0005856 GO:0005874 GO:0006897 GO:0007416 GO:0014069 GO:0016787 GO:0030424 GO:0031798 GO:0031802 GO:0043083 GO:0043197 GO:0044327 GO:0045202 GO:0046847 GO:0048471 GO:0050998 GO:0051491 GO:0061001 GO:0061002 GO:0070062
60.060.3156.980.070.464whjA GO:0000166 GO:0002376 GO:0003924 GO:0005525 GO:0005634 GO:0005643 GO:0005737 GO:0005829 GO:0006810 GO:0006952 GO:0009615 GO:0015031 GO:0035455 GO:0045087 GO:0046822 GO:0051028 GO:0051607 GO:0051726 GO:0060337
70.060.3037.040.050.453szrA GO:0000166 GO:0002376 GO:0003924 GO:0005525 GO:0005634 GO:0005737 GO:0005783 GO:0005789 GO:0005829 GO:0006915 GO:0006952 GO:0007165 GO:0009615 GO:0016020 GO:0031965 GO:0034340 GO:0045071 GO:0045087 GO:0048471 GO:0051607 GO:0060337
80.060.3086.890.050.445a3fC GO:0000166 GO:0001917 GO:0003924 GO:0005525 GO:0005737 GO:0005739 GO:0005794 GO:0005856 GO:0005874 GO:0006897 GO:0007416 GO:0014069 GO:0016787 GO:0030424 GO:0031798 GO:0031802 GO:0043083 GO:0043197 GO:0044327 GO:0045202 GO:0046847 GO:0048471 GO:0050998 GO:0051491 GO:0061001 GO:0061002 GO:0070062
90.060.2997.150.050.443snhA GO:0000166 GO:0001917 GO:0002031 GO:0003924 GO:0005525 GO:0005737 GO:0005794 GO:0005856 GO:0005874 GO:0005886 GO:0006897 GO:0006898 GO:0007032 GO:0007605 GO:0008021 GO:0008022 GO:0008344 GO:0016787 GO:0019901 GO:0030117 GO:0031623 GO:0031749 GO:0032403 GO:0042802 GO:0043196 GO:0043209 GO:0043234 GO:0044822 GO:0045202 GO:0046983 GO:0048013 GO:0050998 GO:0051262 GO:0051932 GO:0070062 GO:0072583 GO:1901998 GO:1903423
100.060.3107.210.060.463zvrA GO:0000166 GO:0001917 GO:0002031 GO:0003924 GO:0005525 GO:0005737 GO:0005794 GO:0005856 GO:0005874 GO:0005886 GO:0006897 GO:0006898 GO:0007032 GO:0007605 GO:0008021 GO:0008022 GO:0008344 GO:0016787 GO:0019901 GO:0030117 GO:0031623 GO:0031749 GO:0032403 GO:0042802 GO:0043196 GO:0043209 GO:0043234 GO:0044822 GO:0045202 GO:0046983 GO:0050998 GO:0051262 GO:0051932 GO:0070062 GO:0072583 GO:1901998 GO:1903423
110.060.3005.010.100.374p4uA GO:0000166 GO:0002376 GO:0003924 GO:0005525 GO:0005634 GO:0005737 GO:0005783 GO:0005789 GO:0005829 GO:0006915 GO:0006952 GO:0007165 GO:0009615 GO:0016020 GO:0031965 GO:0034340 GO:0045071 GO:0045087 GO:0048471 GO:0051607 GO:0060337
120.060.2974.750.100.365d3qB GO:0000166 GO:0001917 GO:0002031 GO:0003924 GO:0005525 GO:0005737 GO:0005794 GO:0005856 GO:0005874 GO:0005886 GO:0006897 GO:0006898 GO:0007032 GO:0007605 GO:0008021 GO:0008022 GO:0008344 GO:0016787 GO:0019901 GO:0030117 GO:0031623 GO:0031749 GO:0032403 GO:0042802 GO:0043196 GO:0043209 GO:0043234 GO:0044822 GO:0045202 GO:0046983 GO:0048013 GO:0050998 GO:0051262 GO:0051932 GO:0070062 GO:0072583 GO:1901998 GO:1903423
130.060.3005.030.120.374h1uA GO:0000166 GO:0000266 GO:0001836 GO:0003374 GO:0003924 GO:0005525 GO:0005737 GO:0005739 GO:0005741 GO:0005777 GO:0005794 GO:0005829 GO:0005874 GO:0005903 GO:0005905 GO:0006897 GO:0006921 GO:0008289 GO:0010821 GO:0012501 GO:0012505 GO:0015630 GO:0016020 GO:0016559 GO:0016787 GO:0030054 GO:0030672 GO:0031410 GO:0031625 GO:0032459 GO:0042802 GO:0042803 GO:0043065 GO:0043231 GO:0043234 GO:0043653 GO:0045202 GO:0048471 GO:0050714 GO:0051289 GO:0060047 GO:0061025 GO:0070266 GO:0070584 GO:0070585 GO:0090141 GO:0090149 GO:0090200 GO:1900063 GO:1903146 GO:1903578 GO:2001244
140.060.2834.550.110.341jwyB GO:0000166 GO:0000920 GO:0003924 GO:0005522 GO:0005525 GO:0005543 GO:0005737 GO:0006907 GO:0006909 GO:0006997 GO:0007005 GO:0007015 GO:0007032 GO:0007163 GO:0016787 GO:0031288 GO:0032154 GO:0032195 GO:0042802 GO:0044351 GO:0044656 GO:0045335 GO:0048312 GO:0090383 GO:0097204 GO:1900756
150.060.3126.830.050.454bejB GO:0000166 GO:0000266 GO:0001836 GO:0003374 GO:0003924 GO:0005525 GO:0005737 GO:0005739 GO:0005741 GO:0005777 GO:0005794 GO:0005829 GO:0005874 GO:0005903 GO:0005905 GO:0006897 GO:0006921 GO:0008289 GO:0010821 GO:0012501 GO:0012505 GO:0015630 GO:0016020 GO:0016559 GO:0016787 GO:0030054 GO:0030672 GO:0031410 GO:0031625 GO:0032459 GO:0042802 GO:0042803 GO:0043065 GO:0043231 GO:0043234 GO:0043653 GO:0045202 GO:0048471 GO:0050714 GO:0051289 GO:0060047 GO:0061025 GO:0070266 GO:0070584 GO:0070585 GO:0090141 GO:0090149 GO:0090200 GO:1900063 GO:1903146 GO:1903578 GO:2001244
160.060.2107.510.040.334ujcAB GO:0000166 GO:0003924 GO:0005525
170.060.2403.060.160.261sulB GO:0000166 GO:0000287 GO:0003924 GO:0005525 GO:0005829 GO:0007049 GO:0046872 GO:0051301
180.060.2273.510.150.262wjgA GO:0000166 GO:0003924 GO:0005525 GO:0005737 GO:0005886 GO:0006810 GO:0006811 GO:0015093 GO:0015684 GO:0016020 GO:0016021 GO:0055072 GO:1903874


Consensus prediction of GO terms
 
Molecular Function GO:0005525 GO:0003924 GO:0008289
GO-Score 0.61 0.53 0.50
Biological Processes GO:0016192
GO-Score 0.37
Cellular Component GO:0005886 GO:0044444 GO:0016021
GO-Score 0.55 0.48 0.45

(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.