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I-TASSER results for job id Rv0383c

[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
10.07 4 4yt5B H4M Rep, Mult 64,65,67,88,144,145,146,148
20.07 4 2iypC A2P Rep, Mult 24,25,26,28,63,64,68,72
30.06 3 2iz0A NAP Rep, Mult 4,5,24,25,26,62,63,64,65,68,88,89,97,144
40.06 3 1lm1A F3S Rep, Mult 67,68,69,72,73,86,91,92
50.04 2 3zukA 211 Rep, Mult 141,142,145
60.04 2 3twbA GCO Rep, Mult 45,56
70.04 2 5da5C GOA Rep, Mult 153,157
80.02 1 3gifA CA Rep, Mult 160,164,220
90.02 1 1w8qB CO Rep, Mult 86,284
100.02 1 3fyuC XYP Rep, Mult 119,120
110.02 1 1uwcA FER Rep, Mult 270,275
120.02 1 1xs2D MG Rep, Mult 23,46
130.02 1 3attA MG Rep, Mult 86,88
140.02 1 1sqpE PLX Rep, Mult 151,154

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
10.0663dagA0.5914.080.0830.7961.12.98.265,100,144
20.0603gg2A0.4764.420.0740.6161.1.1.22NA
30.0601zcjA0.5074.330.0590.6511.1.1.3597
40.0603c7aA0.4885.410.0640.7151.5.1.11NA
50.0601llwA0.4875.810.0530.7781.4.7.1NA
60.0601txgB0.4854.370.0890.6441.1.1.94NA
70.0601mfzA0.5004.650.0470.6581.1.1.132NA
80.0603mogA0.4814.460.0280.6161.1.1.157NA
90.0603fr8B0.4755.100.0480.6871.1.1.86NA
100.0601wdlA0.4904.630.0550.6555.3.3.8,5.1.2.3,4.2.1.17,1.1.1.35118
110.0601yrlC0.4834.770.0630.6511.1.1.86NA
120.0601pgjA0.4794.530.0400.6481.1.1.44NA
130.0602plaA0.4874.670.0650.6581.1.1.8NA
140.0601x0xA0.4754.660.0490.6481.1.1.8NA
150.0601dliA0.4834.310.0390.6091.1.1.22NA
160.0602x58A0.4924.190.0520.6305.3.3.8,4.2.1.17,1.1.1.35127
170.0602f1kA0.4764.150.0700.6061.3.1.43NA
180.0603itkC0.4904.540.0500.6371.1.1.22NA
190.0601bg6A0.4884.690.0450.6551.5.1.28NA
200.0601mv8B0.4984.300.0380.6411.1.1.13263,149

(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
00.270.9201.870.110.994yt2B GO:0015948 GO:0016491 GO:0018537 GO:0047068 GO:0055114
10.070.5854.150.080.803f46A GO:0006730 GO:0015948 GO:0016491 GO:0018537 GO:0019386 GO:0047068 GO:0055114
20.070.5664.480.080.804jjfA GO:0006730 GO:0015948 GO:0016491 GO:0018537 GO:0019386 GO:0047068 GO:0055114
30.070.5114.820.040.703g79A GO:0000271 GO:0016020 GO:0016021 GO:0016491 GO:0016616 GO:0016628 GO:0051287 GO:0055114
40.070.5004.650.050.661mfzA GO:0003979 GO:0006065 GO:0016491 GO:0016616 GO:0042121 GO:0047919 GO:0051287 GO:0055114
50.070.4754.520.060.634xr9A GO:0000166 GO:0000271 GO:0016616 GO:0016628 GO:0051287 GO:0055114
60.070.4914.460.060.642o3jA GO:0000003 GO:0002009 GO:0003979 GO:0005634 GO:0005737 GO:0005829 GO:0005975 GO:0006024 GO:0006065 GO:0009792 GO:0016491 GO:0016616 GO:0018991 GO:0040025 GO:0042802 GO:0051287 GO:0055114
70.070.4854.300.060.622y0cA GO:0000271 GO:0003979 GO:0016616 GO:0051287 GO:0055114
80.070.4754.480.080.643ojlA GO:0000166 GO:0000271 GO:0016616 GO:0016628 GO:0051287 GO:0055114
90.070.4754.420.070.623vtfA GO:0000271 GO:0003979 GO:0016491 GO:0016616 GO:0051287 GO:0055114
100.070.4834.310.040.611dliA GO:0000271 GO:0003979 GO:0006065 GO:0016491 GO:0016616 GO:0051287 GO:0055114
110.070.4904.540.050.643itkC GO:0001702 GO:0003824 GO:0003979 GO:0005634 GO:0005654 GO:0005829 GO:0005975 GO:0006011 GO:0006024 GO:0006065 GO:0008152 GO:0009055 GO:0016491 GO:0016616 GO:0051287 GO:0055114 GO:0070062
120.070.4734.240.070.604a7pA GO:0000166 GO:0000271 GO:0003979 GO:0016491 GO:0016616 GO:0051287 GO:0055114
130.070.4684.470.070.614r16A GO:0000271 GO:0016616 GO:0016628 GO:0051287 GO:0055114
140.070.4764.420.070.623gg2A GO:0000271 GO:0003979 GO:0016616 GO:0051287 GO:0055114
150.070.4654.220.050.593pjgA GO:0000271 GO:0003979 GO:0016491 GO:0016616 GO:0051287 GO:0055114
160.070.4584.550.050.604edfA GO:0001702 GO:0003824 GO:0003979 GO:0005634 GO:0005654 GO:0005829 GO:0005975 GO:0006011 GO:0006024 GO:0006065 GO:0008152 GO:0009055 GO:0016491 GO:0016616 GO:0051287 GO:0055114 GO:0070062
170.070.4541.580.180.484yteA GO:0015948 GO:0016491 GO:0018537 GO:0047068 GO:0055114
180.060.3966.210.060.683jzdA GO:0000166 GO:0016491 GO:0046872 GO:0055114


Consensus prediction of GO terms
 
Molecular Function GO:0047068 GO:0018537
GO-Score 0.36 0.36
Biological Processes GO:0015948
GO-Score 0.36
Cellular Component GO:0016021
GO-Score 0.07

(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.