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I-TASSER results for job id Rv3700c

[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 4 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
10.74 189 2ycnB P61 Rep, Mult 92,93,94,97,118,120,167,192,194,195,212,214,215,360
20.19 61 1eqbA GLY Rep, Mult 33,118,167,195,215,360
30.03 12 2ch2C KY1 Rep, Mult 33,34,118,343,346,360
40.02 8 4eb7B PLP Rep, Mult 258,259
50.02 6 3e9kA 3XH Rep, Mult 34,118,195,214,215,360
60.01 4 3fz7A PO4 Rep, Mult 92,93,94,212,214,215
70.01 3 1t3iA 2OS Rep, Mult 137,138,139,141,305,307,352,353
80.01 3 3a9xB PO4 Rep, Mult 34,118,215,347,348
90.00 1 2e7iB SO4 Rep, Mult 60,274,278,283,367
100.00 2 3lvk0 III Rep, Mult 29,31,34,35,37,38,43,47,50,51,52,91,94,95,98,101,119,120,123,127,221,222,240,241,242,256,258,259,261,263,264,342,343
110.00 1 1eluB CSS Rep, Mult 243
120.00 1 2e7iB SO4 Rep, Mult 37,274,283,366
130.00 2 1n31A CYS Rep, Mult 56,243
140.00 1 4obvC 2SU Rep, Mult 37,38,39,40,218,366
150.00 3 1pmoA TRS Rep, Mult 36,38,40,43,218,219,220,271
160.00 1 1pmoA TRS Rep, Mult 86,87,88,233,238,254,255,256
170.00 2 2e7jA SO4 Rep, Mult 60,274,278,281
180.00 2 4r2nC PHE Rep, Mult 94,118,119,120,345
190.00 1 3kgxA MG Rep, Mult 293,297,373
200.00 1 1eluA PDA Rep, Mult 56,243,258,259

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
10.4071pffA0.6423.130.1220.7364.4.1.11118,192,215
20.3971p3wA0.8082.690.1870.8902.8.1.7,4.4.1.-192,215
30.3821i29A0.8862.200.2100.9414.4.1.16192,215
40.3381bt4A0.7263.740.1470.8692.6.1.52192,215
50.3363kgxB0.7663.500.1730.8972.6.1.51,2.6.1.44192,215
60.3351j04A0.7633.600.1770.8972.6.1.44192
70.3291qz9A0.8022.910.1520.9033.7.1.3192,215
80.3172z9xB0.7743.320.1590.8872.6.1.3097,118,192,215,220,222,360
90.3162hdyA0.8052.790.1790.8924.4.1.16192,215
100.3071bjnA0.7193.750.1140.8672.6.1.52192
110.3071p3wB0.8072.710.1870.8902.8.1.734,92,217
120.2551bjoA0.7193.730.1120.8642.6.1.5292,217,220,222,360
130.2543m5uA0.6883.950.1150.8412.6.1.5233,92,219,222,360
140.1252fyfA0.7083.850.1320.8592.6.1.52192,215
150.1203e77A0.7123.970.1210.8642.6.1.52192,215
160.1081v72A0.6703.640.1220.8034.1.2.26327
170.0601w23A0.7253.790.1380.8672.6.1.52192,215
180.0603caiA0.8522.390.1750.9152.6.1.-265
190.0602yriA0.7503.340.1870.8672.6.-.-192,215
200.0601iugA0.7403.350.1790.8512.6.1.1NA
210.0601js6A0.7343.460.1180.8644.1.1.28194,215
220.0602z9uA0.7713.380.1560.8902.6.1.30215
230.0601c7gA0.7323.880.1110.8874.1.99.240
240.0602jisB0.7573.520.1300.8904.1.1.29192,215
250.0602vmzA0.7323.640.1430.8642.1.2.1166,194,215,221
260.0602okkA0.7553.370.1370.8824.1.1.1595
270.0602jg2A0.7283.370.1390.8462.3.1.50192
280.0602hzpA0.7993.060.1020.9153.7.1.3NA
290.0603a2bA0.7253.310.1210.8312.3.1.50192,215
300.0603h7fB0.7263.600.1580.8592.1.2.1NA
310.0602okjB0.7683.280.1140.8924.1.1.15NA
320.0601n31A0.8322.640.1590.9134.4.1.-192,194,195
330.0602e7iA0.7462.860.1380.8332.5.1.73212,215
340.0601t3iA0.8892.230.1990.9462.8.1.7192,215
350.0603hbxA0.7453.600.1060.8904.1.1.1593,212

(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
00.450.8862.200.210.941i29A GO:0001887 GO:0003824 GO:0005737 GO:0006534 GO:0006790 GO:0009000 GO:0016226 GO:0016740 GO:0016829 GO:0030170 GO:0031071 GO:0031162
10.400.8882.430.200.954q76A GO:0001887 GO:0003824 GO:0006534 GO:0006790 GO:0009000 GO:0009507 GO:0009536 GO:0009570 GO:0010269 GO:0016740 GO:0016829 GO:0018283 GO:0030170 GO:0031071
20.390.9271.250.230.954lw2A GO:0000096 GO:0003824 GO:0009000 GO:0016226 GO:0016740 GO:0016783 GO:0016829 GO:0030170 GO:0031071
30.380.8892.230.200.951t3iA GO:0003824 GO:0006534 GO:0016740 GO:0030170 GO:0031071
40.370.7613.510.180.892hufA GO:0003824 GO:0004760 GO:0008453 GO:0008483 GO:0016740
50.370.8052.790.180.893a9yA GO:0003824 GO:0005737 GO:0005829 GO:0009000 GO:0016740 GO:0016829
60.360.8062.820.180.893lvmB GO:0003824 GO:0005737 GO:0008033 GO:0016740 GO:0030170 GO:0031071 GO:0044571 GO:0046872 GO:0051536 GO:0051537
70.350.8832.310.210.944w91B GO:0003824 GO:0006534 GO:0008483 GO:0016740 GO:0030170 GO:0031071
80.340.8322.640.160.911n31A GO:0003824 GO:0016829
90.340.8062.800.180.893gzcA GO:0001887 GO:0003824 GO:0005737 GO:0005829 GO:0006520 GO:0009000 GO:0016740 GO:0016829
100.340.7942.560.200.871ecxB GO:0003824 GO:0008483 GO:0016740 GO:0031071
110.330.8022.910.150.901qz9A GO:0003824 GO:0005737 GO:0006569 GO:0009435 GO:0016787 GO:0019363 GO:0019805 GO:0030170 GO:0030429 GO:0034354 GO:0043420 GO:0097053
120.320.7713.380.160.892z9uA GO:0003824 GO:0008483 GO:0016740 GO:0030170 GO:0047300
130.320.7462.860.140.832e7iA GO:0003824 GO:0006412 GO:0016740 GO:0043766 GO:0071952
140.310.7772.660.170.864ixoB GO:0003824
150.310.8522.390.170.923caiA GO:0003824 GO:0005618 GO:0005886 GO:0040007
160.310.7203.470.210.833vaxA GO:0003824
170.310.7712.360.200.834w91J GO:0003824 GO:0006534 GO:0008483 GO:0016740 GO:0030170 GO:0031071
180.290.7992.780.230.884isyC GO:0003824 GO:0008483 GO:0016226 GO:0016740 GO:0031071 GO:0040007 GO:0046872 GO:0051536
190.290.8212.770.190.915i90A GO:0003824
200.290.7663.500.170.903kgxB GO:0003824 GO:0004760 GO:0005102 GO:0005739 GO:0005759 GO:0005777 GO:0005782 GO:0007219 GO:0008453 GO:0008483 GO:0009436 GO:0010498 GO:0016597 GO:0016740 GO:0019265 GO:0019448 GO:0030170 GO:0042803 GO:0042853 GO:0042866 GO:0043621 GO:0046487 GO:0046724 GO:0051384 GO:0051591
210.280.6874.200.160.862ogaA GO:0003824 GO:0008483 GO:0016740 GO:0017000 GO:0030170 GO:0033068
220.260.6643.700.170.801v2eA GO:0003824 GO:0008483 GO:0009058 GO:0016740 GO:0030170
230.250.7663.630.180.904kyoC GO:0003824 GO:0004760 GO:0005102 GO:0005739 GO:0005759 GO:0005777 GO:0005782 GO:0007219 GO:0008453 GO:0008483 GO:0009436 GO:0010498 GO:0016597 GO:0016740 GO:0019265 GO:0019448 GO:0030170 GO:0042803 GO:0042853 GO:0042866 GO:0043621 GO:0046487 GO:0046724 GO:0051384 GO:0051591
240.250.8022.700.200.884eb5A GO:0003824 GO:0005737 GO:0016740 GO:0030170 GO:0031071 GO:0044571 GO:0046872 GO:0051536 GO:0051537
250.240.6973.690.110.842gmsA GO:0003824 GO:0008483 GO:0016740
260.210.7393.430.130.865eudA GO:0003824 GO:0016829 GO:0016831 GO:0019752 GO:0030170
270.210.6593.820.120.801b5oA GO:0003824 GO:0004069 GO:0005737 GO:0008483 GO:0009058 GO:0016740 GO:0030170 GO:0080130


Consensus prediction of GO terms
 
Molecular Function GO:0030170 GO:0031071 GO:0009000 GO:0008453 GO:0004760
GO-Score 0.88 0.88 0.80 0.37 0.37
Biological Processes GO:0006534 GO:0001887 GO:0031162 GO:0010269 GO:0018283 GO:0000096
GO-Score 0.80 0.67 0.46 0.40 0.40 0.39
Cellular Component GO:0009570
GO-Score 0.40

(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.