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I-TASSER results for job id Rv0485

[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
10.21 11 2q2rA BGC Rep, Mult 174,175,212,213,244,245,246,282
20.19 9 2yhwA ZN Rep, Mult 267,273,275,280
30.04 2 2yhwA CA Rep, Mult 212,215,247,262,263
40.03 2 2yhyA ADP Rep, Mult 115,116,117,118,120,242,243,287,317,365
50.03 2 2gupA SUC Rep, Mult 113,120,217,361,395,396,398
60.03 2 3vgmA BGC Rep, Mult 174,175,212,213,214,245
70.02 1 2gupA SUC Rep, Mult 198,202,205,206,207,208
80.02 1 3vglA ANP Rep, Mult 115,116,117,118,242,243,287,288,290,316,317,320,362,363,366
90.02 1 3eo3C UNX Rep, Mult 221,225,226,393,394
100.02 1 2gupA SUC Rep, Mult 197,201,207,208,209,210

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
10.2831zc6B0.4694.280.1240.5852.7.1.59NA
20.2282aa4B0.5802.640.2260.6372.7.1.60114,246,282,361
30.1271xc3A0.5662.610.1620.6192.7.1.4NA
40.1133eo3A0.5742.580.1630.6305.1.3.14,2.7.1.60NA
50.0682q2rA0.5763.510.0880.6712.7.1.2NA
60.0672ch5A0.5084.080.0850.6232.7.1.59NA
70.0663f9mA0.5854.340.1020.7242.7.1.2NA
80.0662e2oA0.4764.260.1310.5892.7.1.1NA
90.0661x9jB0.5114.390.1130.6422.7.2.7213
100.0662ivpA0.4614.400.1310.5753.4.24.57NA
110.0603en9A0.4674.480.1130.5913.4.24.57NA
120.0602d4wA0.4884.090.1110.5912.7.1.30360,392
130.0602hoeA0.6833.030.1760.7722.7.1.59NA
140.0603enhA0.4634.400.1190.5803.4.24.5762
150.0601x3mA0.5104.490.0830.6462.7.2.15,2.7.2.-NA
160.0602iirJ0.5094.450.0980.6422.7.2.1NA
170.0603hz6A0.4904.030.0880.5892.7.1.17244,267
180.0603enoA0.4734.420.1000.5893.4.24.57116,264
190.0601v4tA0.4295.730.0750.5892.7.1.2,2.7.1.1NA
200.0602aa4A0.5782.680.2220.6372.7.1.60NA
210.0601bdgA0.5734.430.1210.7152.7.1.1NA
220.0603jvpD0.5044.520.1170.6262.7.1.16263,343,346
230.0602w41B0.4903.940.0920.5872.7.1.30NA
240.0603hm8A0.5804.500.1020.7242.7.1.1NA
250.0602vwbA0.4634.370.1150.5823.4.24.57NA
260.0601tuuA0.4725.180.1180.6392.7.2.1NA
270.0602ap1A0.5623.330.1510.6512.7.1.59NA
280.0601woqA0.4992.730.2160.5592.7.1.63NA
290.0601ig8A0.5904.470.1140.7332.7.1.1NA

(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
00.290.7981.980.210.841z6rA GO:0003677 GO:0005737 GO:0005975 GO:0006351 GO:0006355 GO:0046872
10.280.6753.440.160.794ijaA GO:0003677 GO:0003700 GO:0006351 GO:0006355
20.260.6112.380.140.663r8eA GO:0004340 GO:0016301 GO:0016310 GO:0016740 GO:0051156
30.230.6833.030.180.772hoeA
40.220.5662.610.160.621xc3A GO:0000166 GO:0000272 GO:0005524 GO:0005975 GO:0008865 GO:0016301 GO:0016310 GO:0016740 GO:0046835 GO:0046872
50.220.6222.380.210.683vgkB GO:0000166 GO:0004340 GO:0005737 GO:0006096 GO:0016301 GO:0016310 GO:0042802 GO:0046872 GO:0051156
60.200.8631.140.210.881z05A GO:0003700 GO:0006355 GO:0046872
70.190.5792.900.210.653vovB GO:0016301 GO:0016310 GO:0046872
80.190.6102.780.160.673mcpA GO:0016301 GO:0016310
90.180.6372.710.210.702qm1B GO:0004340 GO:0005737 GO:0006096 GO:0016301 GO:0016310 GO:0046872 GO:0051156
100.160.5983.050.180.682yhwA GO:0000166 GO:0003824 GO:0004553 GO:0005524 GO:0005737 GO:0005829 GO:0006045 GO:0006047 GO:0006054 GO:0007155 GO:0008152 GO:0008761 GO:0009384 GO:0016301 GO:0016310 GO:0016740 GO:0016787 GO:0046835 GO:0046872
110.150.5842.770.130.654htlA GO:0000166 GO:0005524 GO:0005975 GO:0016301 GO:0016310 GO:0016740 GO:0047700
120.150.5513.660.150.664db3A GO:0000166 GO:0005524 GO:0005975 GO:0006044 GO:0008270 GO:0009254 GO:0016301 GO:0016310 GO:0016740 GO:0045127 GO:0046835 GO:0046872
130.130.5323.160.150.613htvA GO:0000166 GO:0004340 GO:0005524 GO:0005975 GO:0008787 GO:0016301 GO:0016310 GO:0016740 GO:0019200 GO:0019316 GO:0046835 GO:0051156
140.110.4992.730.220.561woqA GO:0016301 GO:0016310
150.070.5782.680.220.642aa4A GO:0000166 GO:0005524 GO:0005975 GO:0006051 GO:0006974 GO:0008270 GO:0009384 GO:0016301 GO:0016310 GO:0016740 GO:0019262 GO:0046835 GO:0046872
160.070.5742.580.160.633eo3A GO:0000166 GO:0003824 GO:0004553 GO:0005524 GO:0005737 GO:0005829 GO:0006045 GO:0006047 GO:0006054 GO:0007155 GO:0008152 GO:0008761 GO:0009384 GO:0016301 GO:0016310 GO:0016740 GO:0016787 GO:0046835 GO:0046872
170.070.5623.330.150.652ap1A GO:0000166 GO:0005524 GO:0005975 GO:0006044 GO:0008270 GO:0009254 GO:0016301 GO:0016310 GO:0016740 GO:0045127 GO:0046835 GO:0046872
180.060.3267.080.040.533gf7A GO:0016874


Consensus prediction of GO terms
 
Molecular Function GO:0001071 GO:0004396 GO:0003677 GO:0046872 GO:0035639 GO:0032559 GO:0032550
GO-Score 0.55 0.51 0.49 0.45 0.43 0.43 0.43
Biological Processes GO:1901135 GO:0019637 GO:0006355 GO:0009057 GO:0044262 GO:0016052 GO:0005976 GO:0016310
GO-Score 0.51 0.51 0.49 0.43 0.43 0.43 0.43 0.42
Cellular Component GO:0044424
GO-Score 0.59

(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.