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I-TASSER results for job id Rv1698

[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
10.15 8 1vf5B TDS Rep, Mult 15,18
20.08 4 1ea0A F3S Rep, Mult 295,296,297,298,299,300,301,307,312
30.06 3 3r0dA ZN Rep, Mult 274,275
40.06 3 1j7lA MG Rep, Mult 252,274
50.04 2 4xk8i CLA Rep, Mult 17,20
60.02 1 3cisB MG Rep, Mult 248,312
70.02 1 2y00A 2CV Rep, Mult 19,22,33,40
80.02 1 1ofdA F3S Rep, Mult 1,11,13,14,15,283,285,286
90.02 1 3k30A SF4 Rep, Mult 260,263,264,279,280,281,282,283,284
100.02 1 4lmxD PEB Rep, Mult 5,8
110.02 1 1g6uA TFA Rep, Mult 10,11,12

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
10.0601jqoA0.4596.570.0490.8064.1.1.31NA
20.0602x4dA0.4245.480.0990.6313.6.1.1NA
30.0602dqmA0.4286.480.0530.7333.4.11.2NA
40.0602gq3A0.4265.930.0490.6752.3.3.9NA
50.0602dgaA0.4226.100.0680.6913.2.1.2191
60.0601ho5A0.4306.090.0790.7103.1.3.5,3.6.1.45NA
70.0601g87B0.4316.340.0720.7013.2.1.4NA
80.0601k87A0.4276.460.0590.7261.5.99.835,95
90.0602vdcF0.3796.060.0330.6081.4.1.13NA
100.0601ry2A0.4325.400.0490.6596.2.1.125,70
110.0601h54B0.4276.330.0580.7202.4.1.8NA
120.0601uwkA0.4276.210.0610.7014.2.1.49NA
130.0601djnA0.4236.320.0580.7071.5.8.2,1.5.99.7NA
140.0602vn4A0.4236.950.0750.7673.2.1.3NA
150.0602z1aA0.4425.860.0890.7103.1.3.555
160.0602qnoA0.4396.630.0560.7643.2.1.4NA
170.0601fmiA0.4266.540.0520.7293.2.1.113NA
180.0601tiwA0.4056.390.0570.6751.5.1.12,1.5.99.895
190.0601ayxA0.4176.130.0410.6783.2.1.3NA

(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
00.070.4846.110.080.783rf6B GO:0046474
10.070.4776.160.100.773kc2B GO:0046474
20.070.4745.620.050.735fc1A GO:0004767 GO:0005576 GO:0005615 GO:0006685 GO:0008081 GO:0008270 GO:0009143 GO:0016787 GO:0046872 GO:0070062
30.070.4535.930.040.734epmA GO:0006952 GO:0009626 GO:0010112 GO:0016874 GO:0034052 GO:0044419
40.070.4715.430.040.725ebeA GO:0004767 GO:0005576 GO:0005615 GO:0006685 GO:0008081 GO:0008270 GO:0009143 GO:0016787 GO:0046872 GO:0070062
50.070.4666.000.050.754eplA GO:0002376 GO:0005737 GO:0006952 GO:0009611 GO:0009694 GO:0009864 GO:0010046 GO:0010224 GO:0016874 GO:0019899 GO:0045087 GO:0071365 GO:0080123 GO:2000030
60.070.4325.730.090.654bkmA GO:0000121 GO:0000287 GO:0004647 GO:0004721 GO:0004725 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005911 GO:0005975 GO:0006114 GO:0006470 GO:0006650 GO:0007088 GO:0008152 GO:0008967 GO:0015629 GO:0016020 GO:0016311 GO:0016787 GO:0016791 GO:0030027 GO:0030496 GO:0030836 GO:0031072 GO:0031247 GO:0031258 GO:0032154 GO:0032361 GO:0032465 GO:0032587 GO:0033883 GO:0035335 GO:0042803 GO:0042995 GO:0043136 GO:0045721 GO:0046872 GO:0070062 GO:0070938 GO:0071318 GO:0098519
70.060.3995.770.120.634bx2A GO:0000287 GO:0004647 GO:0004721 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005911 GO:0006470 GO:0007088 GO:0008152 GO:0015629 GO:0016020 GO:0016787 GO:0016791 GO:0030027 GO:0030496 GO:0030836 GO:0031072 GO:0031247 GO:0031258 GO:0032154 GO:0032361 GO:0032465 GO:0032587 GO:0033883 GO:0042803 GO:0042995 GO:0046872 GO:0070062 GO:0070938 GO:0071318
80.060.4356.010.030.704ewvB GO:0006952 GO:0009626 GO:0010112 GO:0016874 GO:0034052 GO:0044419
90.060.4126.360.060.681a0cA GO:0000287 GO:0005737 GO:0005975 GO:0006098 GO:0009045 GO:0016853 GO:0042732 GO:0046872
100.060.3945.850.090.622hx1A GO:0046872
110.060.4035.720.080.621zjjB GO:0046872
120.060.4085.820.110.641vjrA GO:0016311 GO:0016791 GO:0046872
130.060.3875.620.070.603hltA GO:0016311 GO:0016791 GO:0019899 GO:0046872 GO:0070062
140.060.4025.470.070.591yv9A GO:0016787
150.060.3985.470.060.593pdwA GO:0016311 GO:0016787 GO:0016791 GO:0046872
160.060.4035.260.050.583eprA GO:0016787
170.060.4015.190.060.571ys9A
180.060.3826.360.030.652nxfA GO:0008663 GO:0016787 GO:0030145 GO:0046872 GO:0047631 GO:0047734


Consensus prediction of GO terms
 
Molecular Function GO:0008270 GO:0004767 GO:0016874
GO-Score 0.13 0.13 0.07
Biological Processes GO:0046474 GO:0006685 GO:0009143 GO:0034052 GO:0010112 GO:0044419
GO-Score 0.13 0.13 0.13 0.07 0.07 0.07
Cellular Component GO:0070062 GO:0005615
GO-Score 0.13 0.13

(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.