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I-TASSER results for job id Rv1219c

[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
10.25 15 4l62A NUC Rep, Mult 27,28,29,40,44,49,50
20.14 9 4i6zB NUC Rep, Mult 8,38,39,41,42,45,46
30.09 7 3p9tA TCL Rep, Mult 63,101,102,112,113,116,120,146,147,150,154
40.05 4 3lsrA QNA Rep, Mult 28,29,30,34,40,41,44
50.01 1 2a68F MG Rep, Mult 12,13,47
60.01 1 3p9tA TCL Rep, Mult 58,62,65,98,101
70.01 1 3p9tA TCL Rep, Mult 62,65,78,98,99,112,113,116,120,146,147,150,154
80.01 1 3locA URA Rep, Mult 156,159
90.01 1 3iuv0 III Rep, Mult 25,26,113,142,144,145,148,151,152,155,158,159,161,181
100.01 1 2np5C NDS Rep, Mult 102,103,105,109
110.01 1 3p9tA TCL Rep, Mult 58,62,65,85,95,98

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
10.0602ewnA0.4225.360.0650.7086.3.4.15NA
20.0601bf2A0.4295.840.0700.7453.2.1.68NA
30.0601h0nA0.4214.760.0640.6371.17.4.197
40.0602uxwA0.4355.390.0620.7311.3.99.-127
50.0602vuxB0.3884.540.0610.5851.17.4.1123
60.0602ztgA0.4465.000.0610.7086.1.1.79
70.0601y8bA0.4384.860.0530.6742.3.3.9NA
80.0601d8cA0.4494.810.0530.6842.3.3.929
90.0601w07B0.4524.980.0480.6931.3.3.6NA
100.0602zzgA0.4505.270.0430.7416.1.1.7NA
110.0602pywA0.4684.120.0800.6462.7.1.100NA
120.0601cqzB0.4125.540.0790.7033.3.2.10,3.3.2.3NA
130.0601y7910.4485.070.0730.6933.4.15.597
140.0601biqB0.4214.920.0630.6461.17.4.1NA
150.0601bibA0.4235.630.0710.7266.3.4.15NA
160.0601rsrB0.4414.640.0570.6461.17.4.1NA
170.0602ivfA0.4275.330.0290.7031.17.99.2NA
180.0603djlA0.4244.970.0560.6561.3.99.-NA
190.0602i2xA0.4515.030.0360.7172.1.1.9020,24

(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
00.710.9510.711.000.974nn1A GO:0003677 GO:0003700 GO:0006351 GO:0006355
10.320.6283.440.170.824l62A GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355
20.300.5513.950.120.722zozB GO:0003677 GO:0006351 GO:0006355
30.300.6383.710.160.832np5A GO:0003677 GO:0006351 GO:0006355
40.290.6773.650.190.893e7qB GO:0003677 GO:0003700 GO:0006351 GO:0006355
50.280.6453.710.210.852id6A GO:0003677 GO:0006351 GO:0006355
60.280.6413.910.170.883vibC GO:0003677 GO:0006351 GO:0006355
70.280.6053.380.170.774aciB GO:0000287 GO:0003677 GO:0006351 GO:0006355 GO:0046872
80.270.5753.590.210.742qwtA GO:0003677 GO:0006351 GO:0006355
90.270.6124.030.160.833f1bA GO:0003677 GO:0006351 GO:0006355
100.250.6034.070.170.833kz9B GO:0003677 GO:0006351 GO:0006355
110.250.6713.390.190.832g3bA GO:0003677 GO:0006351 GO:0006355
120.240.6473.580.180.853qbmA GO:0003677 GO:0003700 GO:0006351 GO:0006355
130.230.4833.810.130.663ljlA GO:0003677
140.230.5933.590.140.772q24B GO:0003677 GO:0006351 GO:0006355
150.230.5704.270.160.803vprA GO:0003677 GO:0006351 GO:0006355 GO:0042802
160.230.6223.880.150.832pbxA
170.210.5643.950.150.763egqA GO:0003677 GO:0006351 GO:0006355
180.210.6193.670.140.833on4A GO:0003677 GO:0006351 GO:0006355
190.210.5624.450.130.823ccyA GO:0003677 GO:0006351 GO:0006355
200.210.5714.110.200.793cdlB GO:0003677 GO:0006351 GO:0006355
210.210.5754.000.170.813jsjA GO:0003677 GO:0006351 GO:0006355
220.210.5394.700.120.804me9A GO:0003677 GO:0006351 GO:0006355
230.210.6283.940.170.854jykA GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0045892 GO:0045893
240.200.5184.810.160.813dewA GO:0003677 GO:0006351 GO:0006355 GO:0016020 GO:0016021
250.190.5404.050.140.752np3B GO:0003677 GO:0006351 GO:0006355
260.190.6643.560.150.862qibA GO:0003677 GO:0003700 GO:0006351 GO:0006355
270.190.6064.110.130.822genA GO:0003677 GO:0003700 GO:0006351 GO:0006355
280.190.6154.190.160.852qtqA GO:0003677 GO:0006351 GO:0006355
290.170.5974.170.180.833ppbA GO:0003677 GO:0006351 GO:0006355
300.170.5744.170.140.782pz9A GO:0003677 GO:0003700 GO:0006351 GO:0006355
310.160.5544.530.110.815d1wD GO:0003677 GO:0006351 GO:0006355
320.160.5344.420.150.763gziA GO:0003677 GO:0006351 GO:0006355
330.150.6594.070.140.893npiA GO:0003677 GO:0006351 GO:0006355
340.150.6023.650.140.822hkuA GO:0003677 GO:0006351 GO:0006355
350.110.5554.420.130.804w97A GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0010468 GO:0019217
360.110.5494.530.130.784mxmA GO:0003677 GO:0006351 GO:0006355
370.100.6353.870.180.882uxhA GO:0003677 GO:0006351 GO:0006355
380.090.5154.760.150.782ibdA GO:0003677 GO:0006351 GO:0006355
390.090.6424.160.140.913c07A GO:0003677 GO:0006351 GO:0006355
400.080.5913.850.190.802guhA GO:0003677 GO:0006351 GO:0006355
410.070.5603.970.150.792raeA GO:0003677 GO:0006351 GO:0006355
420.070.6124.360.180.881t33A GO:0003677 GO:0003700 GO:0006351 GO:0006355
430.070.6053.690.170.803knwA GO:0003677 GO:0006351 GO:0006355
440.070.5324.530.130.812dg7A GO:0003677 GO:0006351 GO:0006355


Consensus prediction of GO terms
 
Molecular Function GO:0003700 GO:0000976
GO-Score 0.86 0.32
Biological Processes GO:0006355
GO-Score 0.93
Cellular Component GO:0005829
GO-Score 0.32

(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.