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I-TASSER results for job id Rv3405c

[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
10.10 9 3zqlA QNA Rep, Mult 40,41,42,52,53,56,61,62
20.08 9 5cw8A 55X Rep, Mult 28,70,73,74,101,104,105,108,111,115,132,152,155,158,162
30.07 8 3zqlA QNA Rep, Mult 17,51,53,54,57,58
40.05 7 3angD DCC Rep, Mult 73,101,115,126,129,149,152,155,156,159
50.04 5 3b6aD ZCT Rep, Mult 74,77,101,129,152,155
60.04 5 3angA DCC Rep, Mult 73,115,119,127,128,131,136,169,172,175,179,182
70.04 5 2uxhB QUE Rep, Mult 94,97,98,115,119,146,177,178,181,182,185
80.03 3 3aqtB RCO Rep, Mult 81,94,97,98,101,135,136,139,155
90.02 3 3g1mA RF3 Rep, Mult 81,93,94,97,98,101,133,139,140,143,178,181,182,185
100.02 2 3lsrA NUC Rep, Mult 12,40,41,42,46,52,53,56
110.01 1 1bjyB CTC Rep, Mult 20,24,27
120.01 1 2np5C NDS Rep, Mult 45,46,48,52
130.01 1 2id3B CA Rep, Mult 43,47
140.01 1 2uxiA G50 Rep, Mult 120,186
150.01 1 2np5C NDS Rep, Mult 115,116,118,122
160.01 1 3b6cA SDN Rep, Mult 68,71,72,75
170.01 1 2eh3A MG Rep, Mult 92,95
180.01 1 2rae0 III Rep, Mult 90,91,144,145,146,148,149,150,152,153,156,159,160,163,173,182,183
190.01 1 3anpA DCC Rep, Mult 21,25,29,30
200.01 1 3fk7A 4DM Rep, Mult 180,184

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
10.0602zicA0.4814.990.0580.7873.2.1.70NA
20.0601m53A0.4804.630.0480.7505.4.99.1233
30.0602eqdA0.4635.430.0510.8033.2.1.151NA
40.0601hbmA0.4575.300.0800.7552.8.4.1166
50.0601pgjA0.4994.540.0610.7551.1.1.44NA
60.0601bf2A0.4715.070.0470.7663.2.1.68NA
70.0602wanA0.4654.960.0580.7233.2.1.4124,39
80.0602z8kC0.3915.410.0470.6752.3.2.226,56,74,122
90.0602pulA0.4845.140.0530.8352.7.1.100NA
100.0603gbdA0.4834.610.0600.7505.4.99.11NA
110.0601n1hA0.4615.030.0560.7552.7.7.48NA
120.0602z8yD0.4825.100.0550.7821.2.7.4,1.2.99.2111
130.0602e0wB0.4594.860.0490.7232.3.2.254,67
140.0603c46B0.5065.220.0980.8082.7.7.62
150.0602p4qA0.4954.820.0710.7821.1.1.44NA
160.0602jkvA0.4934.610.0600.7661.1.1.44NA
170.0601jqkF0.4555.440.0650.7931.2.99.2NA
180.0602i2xA0.5174.490.0740.7872.1.1.9031,68
190.0601e5dA0.4585.280.0460.7451.-.-.-NA

(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
00.420.8861.630.170.953mnlA GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0042803
10.400.7403.050.150.942y31A GO:0003677 GO:0006351 GO:0006355 GO:0045892
20.370.7193.320.160.952f07A GO:0003677 GO:0006351 GO:0006355
30.360.6892.970.200.883bniA GO:0003677 GO:0006351 GO:0006355
40.340.8401.820.150.923bjbB GO:0003677 GO:0006351 GO:0006355
50.330.6533.700.100.904l62A GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355
60.330.5984.130.130.882np3B GO:0003677 GO:0006351 GO:0006355
70.320.6423.740.070.893bcgA GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0008144 GO:0042493 GO:0043565 GO:0045892
80.320.6583.880.140.941rktA GO:0003677 GO:0006351 GO:0006355
90.300.6563.800.080.893vibC GO:0003677 GO:0006351 GO:0006355
100.290.7142.950.190.892hxoA GO:0003677 GO:0006351 GO:0006355 GO:0045892
110.290.7172.730.170.873bqyA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677
120.280.6763.310.130.864auxA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677 GO:0046872
130.280.5394.360.140.822q24B GO:0003677 GO:0006351 GO:0006355
140.280.6133.800.190.853vvxA GO:0003677 GO:0006351 GO:0006355
150.280.6443.610.090.883lhqA GO:0003677 GO:0003700 GO:0006351 GO:0006355
160.280.6163.830.100.883he0C GO:0003677 GO:0006351 GO:0006355
170.270.6583.450.110.893on2B GO:0003677 GO:0006351 GO:0006355
180.260.6403.840.050.893qkxA GO:0003677 GO:0006351 GO:0006355
190.260.7003.130.160.912hytA GO:0003677 GO:0006351 GO:0006355
200.260.7223.390.140.955d1wD GO:0003677 GO:0006351 GO:0006355
210.260.7262.970.150.902zb9A GO:0003677 GO:0006351 GO:0006355
220.260.6963.370.110.903lwjA GO:0003677 GO:0006351 GO:0006355
230.240.6423.540.140.843zqfA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677 GO:0046872
240.240.5403.870.140.782qwtA GO:0003677 GO:0006351 GO:0006355
250.240.6743.420.090.883whcA GO:0003677 GO:0005737 GO:0006351 GO:0006355 GO:0006629 GO:0006631 GO:0016042
260.240.6923.550.140.922of7A GO:0003677 GO:0006351 GO:0006355
270.230.6074.290.110.903pasB GO:0003677 GO:0006351 GO:0006355
280.230.6623.490.150.903ni7A GO:0003677 GO:0006351 GO:0006355
290.220.5804.350.060.843s5rA GO:0003677 GO:0006351 GO:0006355
300.220.6663.260.120.893cjdA GO:0003677 GO:0006351 GO:0006355
310.220.6683.340.180.904jl3C GO:0003677 GO:0006351 GO:0006355
320.220.6603.930.180.944cgrA GO:0003677 GO:0006351 GO:0006355
330.210.6463.800.130.873zqgA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677 GO:0046872
340.210.5704.260.100.853nnrA GO:0003677 GO:0006351 GO:0006355
350.210.5794.040.110.823ccyA GO:0003677 GO:0006351 GO:0006355
360.210.5744.330.060.873mvpA GO:0003677 GO:0006351 GO:0006355
370.200.6453.620.090.863b81A GO:0003677 GO:0006351 GO:0006355
380.200.7632.670.190.933angC GO:0003677 GO:0006351 GO:0006355
390.200.5923.880.130.853vuqC GO:0003677 GO:0006351 GO:0006355
400.200.6653.370.170.902qibA GO:0003677 GO:0003700 GO:0006351 GO:0006355
410.200.5993.790.170.863dcfA GO:0003677 GO:0006351 GO:0006355
420.200.6263.900.060.882id6A GO:0003677 GO:0006351 GO:0006355
430.200.6653.320.170.882fq4A GO:0003677 GO:0006351 GO:0006355
440.200.6343.470.100.851z0xA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677
450.200.5414.130.100.782iaiA GO:0003677 GO:0006351 GO:0006355
460.190.6473.700.150.903f0cA GO:0003677 GO:0006351 GO:0006355
470.190.6443.760.160.915f1jA GO:0003677 GO:0006351 GO:0006355
480.190.6573.740.140.923bhqA GO:0003677 GO:0006351 GO:0006355
490.190.6833.180.150.905d18A GO:0003677 GO:0006351 GO:0006355
500.180.6733.290.140.874za6A GO:0003677
510.180.5594.350.080.823colA GO:0003677 GO:0006351 GO:0006355
520.170.6763.540.140.913hggA GO:0003677 GO:0006351 GO:0006355
530.170.6133.980.090.894gclB GO:0003677 GO:0005737 GO:0007049 GO:0009295 GO:0010974 GO:0043565 GO:0043590 GO:0051301 GO:0051302
540.160.5734.120.080.824me9A GO:0003677 GO:0006351 GO:0006355
550.160.7412.850.160.913aqtB GO:0003677 GO:0006351 GO:0006355
560.150.5584.390.140.862oerB GO:0003677 GO:0006351 GO:0006355
570.150.5774.710.120.884jykA GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0045892 GO:0045893
580.150.5714.050.140.813cdlB GO:0003677 GO:0006351 GO:0006355
590.150.7352.800.180.912id3A GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0046872
600.150.6003.550.150.783fiwA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677
610.150.6093.990.110.882rasB GO:0003677 GO:0006351 GO:0006355
620.130.6064.270.170.922oi8A GO:0003677 GO:0006351 GO:0006355
630.130.5684.040.130.852o7tA GO:0003677 GO:0006351 GO:0006355
640.120.7073.040.170.902zcxA GO:0003677 GO:0006351 GO:0006355
650.120.7053.390.170.933c07A GO:0003677 GO:0006351 GO:0006355
660.110.6513.490.120.862raeA GO:0003677 GO:0006351 GO:0006355
670.110.7023.290.130.882vprA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677 GO:0046872
680.100.5314.290.120.802pz9A GO:0003677 GO:0003700 GO:0006351 GO:0006355
690.090.6483.470.090.853frqA GO:0003677 GO:0006351 GO:0006355 GO:0016740
700.080.6103.770.080.863knwA GO:0003677 GO:0006351 GO:0006355
710.080.6473.630.130.893dpjA GO:0003677 GO:0006351 GO:0006355
720.070.6413.590.160.873p9tA GO:0003677 GO:0006351 GO:0006355
730.070.5534.060.170.812rekB GO:0003677 GO:0006351 GO:0006355
740.070.6303.890.060.893eupA GO:0003677 GO:0006351 GO:0006355
750.070.5444.630.120.863rh2A GO:0003677 GO:0006351 GO:0006355


Consensus prediction of GO terms
 
Molecular Function GO:0042803 GO:0003700 GO:0000976
GO-Score 0.42 0.42 0.42
Biological Processes GO:0045892
GO-Score 0.40
Cellular Component GO:0005829
GO-Score 0.42

(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.