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I-TASSER results for job id Rv2047c

[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
10.09 5 3shdE MN Rep, Mult 802,803
20.05 3 1ofdB F3S Rep, Mult 793,794,795,798,799,800,801,808
30.05 3 3cmvA MG Rep, Mult 772,795,810
40.03 2 3shdA MN Rep, Mult 789,803
50.03 2 2jfrA MG Rep, Mult 828,829
60.03 2 4xk8g CLA Rep, Mult 444,448
70.03 2 4rkuL CLA Rep, Mult 655,659
80.02 1 3cmvE ANP Rep, Mult 764,766,767,786,801,829
90.02 1 5fbtA 5WQ Rep, Mult 318,336,339,353,354,355,375,391,395,485,486
100.02 1 1vbhA PEP Rep, Mult 767,787,788,789,808,809
110.02 1 4z10D RCO Rep, Mult 455,459
120.02 1 1lm1A F3S Rep, Mult 799,800,801,802,805,806,808,830
130.02 1 4uc9A ASP Rep, Mult 455,477
140.02 1 5fbuA 5WP Rep, Mult 316,318,321,322,336,339,353,354,375,395,485,486,641,645,796
150.02 1 4dr5F MG Rep, Mult 607,611
160.02 1 1ofdA F3S Rep, Mult 659,678,679,680,681,682,683,685
170.02 1 3a6pA III Rep, Mult 542,580,602

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
10.0601b0pA0.2758.950.0250.4471.2.7.1NA
20.0602pdaA0.2879.180.0470.4771.2.7.1318,332
30.0601ofdA0.3319.010.0530.5401.4.7.1NA
40.0602fhbA0.3168.560.0410.4983.2.1.41NA
50.0602pffB0.2798.710.0410.4432.3.1.86NA
60.0602e1qA0.3029.080.0490.5011.17.3.2,1.17.1.4NA
70.0601ob2A0.1567.280.0330.2253.6.1.48NA
80.0602vdcA0.3009.410.0330.5081.4.1.13NA
90.0601llwA0.3079.010.0340.5021.4.7.1NA
100.0601yq2A0.2818.320.0600.4343.2.1.23NA
110.0603ebgA0.2878.080.0440.4313.4.11.-765
120.0602dqmA0.2848.850.0430.4563.4.11.2765
130.0603hmjA0.3148.730.0510.5012.3.1.86NA
140.0602zxqA0.2818.630.0360.4443.2.1.97596
150.0603b9jC0.2389.120.0740.3951.17.3.2,1.17.1.4NA
160.0601hn0A0.2848.740.0450.4544.2.2.20817
170.0601k32A0.3018.730.0420.4803.4.21.-NA
180.0601kblA0.3027.990.0370.4442.7.9.1NA
190.0602ckjA0.3048.770.0440.4911.17.1.4,1.17.3.2NA

(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
00.060.2668.570.030.422x0sA GO:0003824 GO:0005524 GO:0006090 GO:0016301 GO:0016310 GO:0016772 GO:0020015 GO:0046872 GO:0050242
10.060.3157.410.070.451vbgA GO:0000166 GO:0003824 GO:0005524 GO:0005737 GO:0006090 GO:0009507 GO:0009536 GO:0015979 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0046872 GO:0050242
20.060.3027.990.040.441kblA GO:0000166 GO:0003824 GO:0005524 GO:0006090 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0046872 GO:0050242
30.060.2806.230.060.352olsA GO:0000166 GO:0003824 GO:0005524 GO:0006090 GO:0006094 GO:0008986 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0046872
40.060.2068.500.060.332kx9A GO:0000287 GO:0003824 GO:0005737 GO:0005829 GO:0006810 GO:0008643 GO:0008965 GO:0009401 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0019197 GO:0046872
50.060.2198.040.050.343ictA GO:0000166 GO:0003756 GO:0005623 GO:0016491 GO:0045454 GO:0050451 GO:0050660 GO:0050661 GO:0055114
60.060.1926.970.050.262wqdA GO:0003824 GO:0005737 GO:0006810 GO:0008643 GO:0008965 GO:0009401 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0046872
70.060.1967.950.050.303hx6A GO:0005509 GO:0005737 GO:0005829 GO:0009289 GO:0016020 GO:0046872
80.060.1867.660.040.283tcmA GO:0003824 GO:0004021 GO:0008483 GO:0009058 GO:0016740 GO:0030170 GO:0042853
90.060.1577.060.040.221sezA GO:0004729 GO:0005739 GO:0006779 GO:0006782 GO:0006783 GO:0016491 GO:0055114
100.060.1797.600.080.262cb1A GO:0003824 GO:0016829 GO:0030170
110.060.1677.090.060.241qzzA GO:0008168 GO:0008171 GO:0016829 GO:0016831 GO:0017000 GO:0032259
120.060.1798.250.060.282e28A GO:0000166 GO:0000287 GO:0003824 GO:0004743 GO:0005524 GO:0006096 GO:0008152 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0030955 GO:0046872
130.060.1788.260.040.283t05A GO:0000166 GO:0000287 GO:0003824 GO:0004743 GO:0005524 GO:0006096 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0030955 GO:0046872
140.060.1426.340.030.194cnjA GO:0000166 GO:0016491 GO:0055114
150.060.1456.900.060.204pmxA GO:0000272 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0031176 GO:0045493 GO:0046872
160.060.1546.490.080.212ip2A GO:0008168 GO:0008171 GO:0008757 GO:0016740 GO:0019438 GO:0032259
170.060.1426.690.030.194hnnF GO:0003824 GO:0008152 GO:0008840 GO:0009089 GO:0016829
180.060.1456.750.050.201a0iA GO:0000166 GO:0003677 GO:0003909 GO:0003910 GO:0005524 GO:0006260 GO:0006281 GO:0006310 GO:0006974 GO:0016874 GO:0046872 GO:0051103


Consensus prediction of GO terms
 
Molecular Function GO:0043169 GO:0032559 GO:0035639 GO:0032550 GO:0016781
GO-Score 0.56 0.46 0.46 0.46 0.36
Biological Processes GO:0006796 GO:0032787
GO-Score 0.56 0.46
Cellular Component GO:0020015 GO:0009507 GO:0019197 GO:0005829
GO-Score 0.06 0.06 0.06 0.06

(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.