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I-TASSER results for job id Rv3213c

[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
10.79 179 4wopD CTP Rep, Mult 14,15,16,17,18,19,20,185,186,214,215,217,220,221
20.13 32 3la6I CA Rep, Mult 18,19,42,126
30.07 18 2bekA ATP Rep, Mult 13,14,153,155
40.02 6 1g5pB SF4 Rep, Mult 154,155,156,199,201,202
50.02 8 3ibgC ADP Rep, Mult 15,16,17,18,19,20,46,260,261,262,265,266
60.02 10 2ynmA AF3 Rep, Mult 14,15,18,42,44,129
70.02 6 3r9iB III Rep, Mult 49,54,222,224,225,226,227
80.01 5 3qxcA ATP Rep, Mult 14,15,16,17,18,19,20,40,47,126,185,215
90.01 3 2wojA UUU Rep, Mult 13,14,189,191
100.01 3 3zq6A UUU Rep, Mult 13,14,216,218
110.01 4 1m34O ALF Rep, Mult 13,14,130
120.01 2 3k9gA IOD Rep, Mult 12,147,158
130.00 2 3r9iA III Rep, Mult 156,157,160,200,203,204
140.00 1 2xj9A MG Rep, Mult 19,45,47
150.00 1 3kjhA ZN Rep, Mult 101,103
160.00 1 3ez9A MG Rep, Mult 106,173,174
170.00 1 3k9gA IOD Rep, Mult 178,180,204
180.00 2 3ez2A ADP Rep, Mult 49,52,53,54,227
190.00 2 3fwyB SF4 Rep, Mult 61,62,63,93,94,96
200.00 1 3k9gA IOD Rep, Mult 151,186,193,195,196

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
10.3411de0A0.7553.050.1790.8981.18.6.113,18
20.3221cp2A0.7463.260.1910.8981.18.6.113,18
30.3051cp2B0.7433.220.1920.8951.18.6.114,43,132
40.2123bfkB0.4603.500.0920.5603.6.5.245
50.0662bmeA0.4523.270.0710.5493.6.5.245
60.0602azdB0.5425.370.0820.8162.4.1.1138
70.0601s1mB0.6213.720.1110.7786.3.4.2NA
80.0602vo1B0.5663.280.0810.6926.3.4.2149,164
90.0601ha3B0.5073.650.1330.6283.1.5.1NA
100.0601a82A0.5983.640.1020.7526.3.3.318
110.0601m7jA0.5145.360.0610.8083.5.1.81126
120.0601kgzB0.5194.850.0630.7522.4.2.1814
130.0601ii0B0.6193.810.1420.7783.6.3.1615,18
140.0601vcoA0.6233.910.1110.7896.3.4.245
150.0601dj3A0.5204.530.0770.7116.3.4.4NA
160.0602elcD0.5124.910.1130.7482.4.2.1814,138
170.0602ad5B0.6163.800.1160.7826.3.4.243,45,92
180.0603fgnA0.6363.170.1460.7716.3.3.316,19,163
190.0603cioA0.5982.940.1710.6882.7.10.2108
200.0601p9bA0.5234.490.0830.7116.3.4.4NA
210.0602r4uA0.5235.360.0720.7932.4.1.21NA
220.0601vcnA0.6173.830.1120.7786.3.4.2NA
230.0601dj2A0.5234.510.0820.7146.3.4.4NA
240.0603do6A0.6183.900.1150.8086.3.4.3NA

(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
00.560.8561.770.410.912bejA GO:0000166 GO:0003677 GO:0005524 GO:0007059 GO:0016787
10.490.8472.640.210.963ez2B GO:0030541 GO:0042802
20.460.6033.350.190.713la6B GO:0000166 GO:0000271 GO:0004713 GO:0005524 GO:0005886 GO:0005887 GO:0009103 GO:0009242 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0016887 GO:0018108 GO:0038083 GO:0045226
30.420.7622.810.230.883pg5C GO:0005524 GO:0016491 GO:0055114
40.350.7772.340.250.871g3qA GO:0000166 GO:0005524 GO:0051301
50.320.6743.410.170.823kb1A GO:0000166 GO:0005524 GO:0016787 GO:0016887 GO:0046872 GO:0051536
60.310.6313.140.180.743cwqA GO:0000166
70.310.7622.430.240.861hyqA GO:0000166 GO:0005524 GO:0051301
80.280.7732.600.200.884v02A GO:0000166 GO:0005524 GO:0016887
90.280.7523.100.180.902afhE GO:0000166 GO:0005524 GO:0009399 GO:0016163 GO:0016491 GO:0016612 GO:0018697 GO:0046872 GO:0051536 GO:0051539 GO:0055114
100.280.7702.790.160.882ynmB GO:0000166 GO:0005524 GO:0015979 GO:0015995 GO:0016491 GO:0016636 GO:0016730 GO:0019685 GO:0036068 GO:0046148 GO:0046872 GO:0051536 GO:0051539 GO:0055114
110.280.6972.290.200.774dzzA GO:0000166
120.270.6593.700.160.822ph1A GO:0000166 GO:0005524 GO:0016787 GO:0016887 GO:0046872 GO:0051536
130.260.6193.810.140.781ii0B GO:0000166 GO:0005524 GO:0015446 GO:0016787 GO:0016887 GO:0046685 GO:0071722 GO:0098655 GO:0098656
140.160.5953.180.140.692vedB GO:0000166 GO:0004715 GO:0005576 GO:0006859 GO:0009103 GO:0015542 GO:0015992 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0018108 GO:0045226
150.160.5982.940.170.693cioA GO:0000166 GO:0004713 GO:0005524 GO:0005886 GO:0009103 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0038083 GO:0042802 GO:0045226
160.150.7762.400.240.871ionA GO:0000166 GO:0005524 GO:0051301
170.140.7463.260.190.901cp2A GO:0000166 GO:0005524 GO:0009399 GO:0016163 GO:0016491 GO:0016612 GO:0018697 GO:0046872 GO:0051536 GO:0051539 GO:0055114
180.080.6413.850.150.834iojA GO:0000166 GO:0004329 GO:0005524 GO:0006730 GO:0009396 GO:0016874 GO:0035999
190.080.6313.480.160.773ug7A GO:0000166 GO:0005524 GO:0015446 GO:0016787 GO:0016887 GO:0042802 GO:0046685 GO:0098655 GO:0098656


Consensus prediction of GO terms
 
Molecular Function GO:0005524 GO:0003677 GO:0042802 GO:0016887 GO:0004713 GO:0016491
GO-Score 0.91 0.56 0.49 0.46 0.46 0.42
Biological Processes GO:0007059 GO:0030541 GO:0038083 GO:0009103 GO:0009242 GO:0045226 GO:0055114 GO:0051301
GO-Score 0.56 0.49 0.46 0.46 0.46 0.46 0.42 0.35
Cellular Component GO:0005887
GO-Score 0.46

(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.