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I-TASSER results for job id Rv2569c

[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 5 1i8nA ROP Rep, Mult 198,201
20.08 4 5d63A III Rep, Mult 174,195,196,197,238,239,273
30.04 2 2b0qA MG Rep, Mult 259,278
40.04 2 1dd1C SO4 Rep, Mult 192,198,201
50.04 2 1btgB ZN Rep, Mult 239,259
60.04 2 5d62A III Rep, Mult 174,195,196,238,239,259,261,262
70.04 2 5k6xA FUC Rep, Mult 216,218
80.02 1 2wtfB CA Rep, Mult 140,198
90.02 1 2h8pC GOA Rep, Mult 219,220
100.02 1 3hiaC PC Rep, Mult 241,255
110.02 1 4f8hA LMD Rep, Mult 200,203
120.02 1 1lm1A F3S Rep, Mult 198,200,201,204,205,215,277,278
130.02 1 1mfaL ABE Rep, Mult 245,255
140.02 1 1nufA CA Rep, Mult 203,206,210,213

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
10.0782vfbA0.3583.990.1410.4492.3.1.5196,239,259
20.0601itwB0.3576.510.0580.6211.1.1.42200
30.0601jqoA0.3646.690.0610.6274.1.1.31NA
40.0602eabA0.3496.280.0510.5733.2.1.63NA
50.0601ileA0.3416.360.0520.5646.1.1.5194
60.0601kv3A0.4803.910.1240.5862.3.2.13196,259
70.0602vpiA0.2066.080.0400.3346.3.5.2NA
80.0601gw0A0.3456.690.0300.5921.10.3.2NA
90.0601e2tA0.3673.980.1600.4552.3.1.118196,239,259
100.0601e1eB0.3066.840.0610.5513.2.1.21173
110.0602q3zA0.4674.180.1110.5802.3.2.13NA
120.0603fu7B0.3486.470.0690.5961.10.3.2211,256
130.0601llwA0.3606.130.0500.5761.4.7.1NA
140.0601hcuB0.3486.800.0430.6023.2.1.11343
150.0602d0vA0.3616.170.0430.5961.1.99.8NA
160.0601l9mB0.4794.150.0980.5922.3.2.13196,239
170.0601lrwA0.3246.190.0370.5221.1.99.8NA
180.0602j5wA0.3687.050.0300.6781.16.3.1NA
190.0602qfwD0.3515.560.0370.5291.1.1.42NA

(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
00.420.8381.640.170.883isrB GO:0006508 GO:0008233
10.100.2926.950.040.531f13A GO:0002576 GO:0003810 GO:0005576 GO:0005737 GO:0007596 GO:0007599 GO:0016740 GO:0016746 GO:0018149 GO:0031093 GO:0042060 GO:0046872 GO:0072562
20.070.4803.950.120.594pygA GO:0003810 GO:0005737 GO:0005739 GO:0005783 GO:0005829 GO:0005925 GO:0007200 GO:0016740 GO:0016746 GO:0018149 GO:0031012 GO:0031226 GO:0032471 GO:0043065 GO:0043277 GO:0045785 GO:0046872 GO:0051561 GO:0060445 GO:0060662 GO:0070062
30.070.4794.150.100.591l9mB GO:0003810 GO:0003824 GO:0005509 GO:0005737 GO:0006464 GO:0016740 GO:0016746 GO:0018149 GO:0030216 GO:0031069 GO:0031234 GO:0031424 GO:0043163 GO:0046872 GO:0051262 GO:0070062
40.070.4674.180.110.582q3zA GO:0003810 GO:0005737 GO:0005739 GO:0005783 GO:0005829 GO:0005925 GO:0007200 GO:0016740 GO:0016746 GO:0018149 GO:0031012 GO:0031226 GO:0032471 GO:0043065 GO:0043277 GO:0045785 GO:0046872 GO:0051561 GO:0060445 GO:0060662 GO:0070062
50.070.2886.320.020.481g0dA GO:0003810 GO:0016740 GO:0016746 GO:0018149 GO:0046872
60.070.4344.480.110.553s3sA GO:0003810 GO:0005737 GO:0005739 GO:0005783 GO:0005829 GO:0005925 GO:0007200 GO:0016740 GO:0016746 GO:0018149 GO:0031012 GO:0031226 GO:0032471 GO:0043065 GO:0043277 GO:0045785 GO:0046872 GO:0051561 GO:0060445 GO:0060662 GO:0070062
70.060.2796.990.030.514r2bA GO:0005215 GO:0006810
80.060.2816.810.040.504aw6A GO:0004222 GO:0005634 GO:0005637 GO:0005783 GO:0005789 GO:0006508 GO:0006998 GO:0008233 GO:0008235 GO:0008237 GO:0016020 GO:0016021 GO:0016787 GO:0030327 GO:0046872 GO:0070062 GO:0071586
90.060.2836.480.030.473ucpA GO:0046872 GO:0055114
100.060.2606.680.040.453czmB GO:0003824 GO:0004459 GO:0005975 GO:0016491 GO:0016616 GO:0019752 GO:0055114
110.060.2496.360.040.422p0rA GO:0004198 GO:0005509 GO:0005622 GO:0005737 GO:0006508 GO:0007586 GO:0008233 GO:0008234 GO:0016787 GO:0046872
120.060.2426.510.040.402aryA GO:0004198 GO:0005509 GO:0005622 GO:0005737 GO:0005739 GO:0005764 GO:0005829 GO:0005886 GO:0005925 GO:0006508 GO:0008092 GO:0008233 GO:0008234 GO:0008284 GO:0016020 GO:0016241 GO:0016540 GO:0016787 GO:0022617 GO:0032801 GO:0046872 GO:0060056 GO:0070062
130.060.2416.190.050.404mwaF GO:0003824 GO:0005506 GO:0008299 GO:0016114 GO:0016491 GO:0019288 GO:0044237 GO:0046429 GO:0046872 GO:0051536 GO:0051539 GO:0055114
140.060.2356.140.050.392p1gB GO:0008152 GO:0016787 GO:0016798 GO:0045493
150.060.2055.930.050.324lubB GO:0004664 GO:0008152 GO:0008652 GO:0009073 GO:0009094 GO:0016597 GO:0016829
160.060.1946.050.040.321wwyA GO:0000103 GO:0000502 GO:0005634 GO:0005737 GO:0005739 GO:0006457 GO:0006662 GO:0015035 GO:0015036 GO:0016671 GO:0034599 GO:0045454 GO:0055114 GO:0070062
170.060.2005.040.050.293hiuD
180.060.1784.670.060.252xzzA GO:0001533 GO:0003810 GO:0006464 GO:0010838 GO:0016020 GO:0016740 GO:0016746 GO:0018149 GO:0030216 GO:0031224 GO:0031424 GO:0043163 GO:0045787 GO:0046872 GO:0070062


Consensus prediction of GO terms
 
Molecular Function GO:0016755 GO:0043169 GO:0008233
GO-Score 0.53 0.53 0.42
Biological Processes GO:0006464 GO:0006508
GO-Score 0.53 0.42
Cellular Component GO:0044424 GO:0031988 GO:1903561
GO-Score 0.53 0.37 0.37

(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.