[Home] [Server] [About] [Statistics] [Annotation]

I-TASSER results for job id Rv1353c

[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
10.15 23 2y30B SM8 Rep, Mult 72,76,94,98,117,119,129,130,133,134,148,154,155
20.12 16 3b6aD ZCT Rep, Mult 72,76,98,112,113,115,118,125,126,129,130,152,155
30.07 8 3zqlC QNA Rep, Mult 49,51,52,55,56
40.05 6 2ns8A III Rep, Mult 37,38,39,40,50,54,57,58,59,60
50.04 6 2ns8C III Rep, Mult 164,165,168,169,172,183,202,205,208,209
60.04 6 2x9dA ITC Rep, Mult 72,94,98,112,116,118,130,151,152,155,156
70.03 4 3b6cB SDN Rep, Mult 72,94,125,126,129,133,155
80.03 5 2ns8B III Rep, Mult 164,165,168,177,178,186,195,199,202,206
90.02 3 1ocoO HEA Rep, Mult 158,220,221
100.02 3 1bjyB CTC Rep, Mult 195,199,202
110.01 2 3b6aC ZCT Rep, Mult 72,98,112,113,129,133,155,159
120.01 2 2ns8B III Rep, Mult 98,117,118,148,151,152,155,156,159
130.01 2 2y30B SM8 Rep, Mult 182,183,186,187,199,206
140.01 2 4nhvB 2O6 Rep, Mult 19,67
150.01 2 3lsjA COA Rep, Mult 94,136,221,222,225
160.01 2 1qpiA IMD Rep, Mult 112,113,115,116
170.01 1 3b6aD ZCT Rep, Mult 163,164

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
10.0601bucB0.4105.370.0290.6211.3.99.2218,221
20.0602ix6A0.3945.430.0270.5981.3.3.6229
30.0602fhbA0.4095.770.0610.6703.2.1.41NA
40.0601zyzA0.3796.830.0610.7201.17.4.1NA
50.0601ivhA0.4065.430.0280.6251.3.99.10NA
60.0601bucA0.4105.350.0340.6211.3.99.2160,214
70.0601xc6A0.4155.800.0380.6863.2.1.2319,26
80.0602fhcA0.4186.040.0620.7243.2.1.4136,66,110
90.0602r7oA0.4106.170.0350.7012.7.7.4864,66
100.0602je8B0.4196.180.0360.7133.2.1.25NA
110.0602ix6E0.3945.430.0270.5981.3.3.6159
120.0601jqiA0.4065.280.0190.6051.3.99.2214
130.0601d8yA0.3946.230.0600.7052.7.7.7NA
140.0602vdcF0.3986.320.0290.7091.4.1.13NA
150.0602vdcA0.3986.300.0370.7091.4.1.13NA
160.0602j5wA0.4146.170.0530.7401.16.3.1NA
170.0602cvtA0.4045.700.0520.6321.17.4.1NA
180.0601rx0A0.3995.410.0270.6051.3.99.-NA
190.0601udyA0.4105.160.0440.6051.3.99.3NA

(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
00.390.5962.750.250.703zqfA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677 GO:0046872
10.390.7692.620.190.872y31A GO:0003677 GO:0006351 GO:0006355 GO:0045892
20.350.6483.080.230.793zqgA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677 GO:0046872
30.330.6742.770.210.784auxA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677 GO:0046872
40.290.6962.660.230.803b6aA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677
50.290.6862.580.180.801z0xA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677
60.280.5063.780.130.653crjA GO:0003677
70.250.5194.010.120.692f07A GO:0003677 GO:0006351 GO:0006355
80.250.6602.830.210.773bqyA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677
90.240.6323.500.200.772hxoA GO:0003677 GO:0006351 GO:0006355 GO:0045892
100.240.5113.940.170.663vibC GO:0003677 GO:0006351 GO:0006355
110.240.6293.030.220.752hxiB GO:0003677 GO:0006351 GO:0006355 GO:0045892
120.230.5003.870.140.664ichA GO:0003677 GO:0006351 GO:0006355
130.230.4753.770.160.623dcfA GO:0003677 GO:0006351 GO:0006355
140.220.4852.940.240.583fiwA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677
150.210.4614.070.160.623vprA GO:0003677 GO:0006351 GO:0006355 GO:0042802
160.210.5134.250.110.693lhqA GO:0003677 GO:0003700 GO:0006351 GO:0006355
170.200.4843.900.160.643on4A GO:0003677 GO:0006351 GO:0006355
180.190.5084.320.140.693bcgA GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0008144 GO:0042493 GO:0043565 GO:0045892
190.180.4844.320.140.673f0cA GO:0003677 GO:0006351 GO:0006355
200.180.5223.470.130.643whcA GO:0003677 GO:0005737 GO:0006351 GO:0006355 GO:0006629 GO:0006631 GO:0016042
210.170.4834.200.090.663f1bA GO:0003677 GO:0006351 GO:0006355
220.170.4804.240.100.652of7A GO:0003677 GO:0006351 GO:0006355
230.170.5013.660.120.643he0C GO:0003677 GO:0006351 GO:0006355
240.170.4843.520.160.624hkuA GO:0003677 GO:0006351 GO:0006355
250.160.4973.810.090.643qkxA GO:0003677 GO:0006351 GO:0006355
260.160.5343.270.140.665d18A GO:0003677 GO:0006351 GO:0006355
270.160.4643.900.120.614aciB GO:0000287 GO:0003677 GO:0006351 GO:0006355 GO:0046872
280.150.5004.040.170.672oi8A GO:0003677 GO:0006351 GO:0006355
290.140.5843.720.160.742g7lA GO:0003677 GO:0006351 GO:0006355 GO:0045892
300.140.5283.550.120.663bjbB GO:0003677 GO:0006351 GO:0006355
310.140.5023.890.090.672id6A GO:0003677 GO:0006351 GO:0006355
320.140.4904.000.140.663g7rB GO:0003677 GO:0003700 GO:0006351 GO:0006355
330.120.4844.010.130.652genA GO:0003677 GO:0003700 GO:0006351 GO:0006355
340.110.5642.930.160.661zk8A GO:0003677 GO:0006351 GO:0006355
350.110.5273.420.140.662np5A GO:0003677 GO:0006351 GO:0006355
360.100.4714.120.140.644gctC GO:0000976 GO:0003677 GO:0003700 GO:0005737 GO:0005829 GO:0006355 GO:0007049 GO:0009295 GO:0010974 GO:0043565 GO:0043590 GO:0051301 GO:0051302
370.100.4933.980.100.663kz9B GO:0003677 GO:0006351 GO:0006355
380.090.4514.120.090.613t6nA GO:0003677 GO:0003700 GO:0006351 GO:0006355
390.080.6652.410.210.752vprA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677 GO:0046872
400.070.4964.260.100.673dpjA GO:0003677 GO:0006351 GO:0006355
410.070.5173.500.140.643htaA GO:0003677 GO:0006351 GO:0006355
420.070.4923.910.120.654gclB GO:0003677 GO:0005737 GO:0007049 GO:0009295 GO:0010974 GO:0043565 GO:0043590 GO:0051301 GO:0051302
430.070.4843.810.140.631sgmA GO:0003677 GO:0006351 GO:0006355
440.070.4644.150.090.622jj7B GO:0003677 GO:0006351 GO:0006355 GO:0042802
450.070.4683.890.070.612raeA GO:0003677 GO:0006351 GO:0006355
460.070.4784.310.090.653cwrA GO:0003677 GO:0006351 GO:0006355
470.070.5493.790.140.713c07A GO:0003677 GO:0006351 GO:0006355
480.070.4903.830.140.642nx4A GO:0003677 GO:0006351 GO:0006355
490.070.5314.380.090.721t33A GO:0003677 GO:0003700 GO:0006351 GO:0006355
500.070.4844.410.160.664cgrA GO:0003677 GO:0006351 GO:0006355


Consensus prediction of GO terms
 
Molecular Function GO:0003677 GO:0046872
GO-Score 0.89 0.74
Biological Processes GO:0045892 GO:0046677
GO-Score 0.89 0.81
Cellular Component
GO-Score

(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.