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I-TASSER results for job id Rv1361c

[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
10.04 1 4h13A 8K6 Rep, Mult 13,162
20.04 1 1y66A DIO Rep, Mult 241,245
30.04 1 1g6uA TFA Rep, Mult 24,25,26
40.04 1 4cbkL DPV Rep, Mult 256,264,267
50.04 1 2g38B MN Rep, Mult 150,153,154
60.04 1 3cmvE ANP Rep, Mult 37,45,46,47,48,168
70.04 1 2q1pA POL Rep, Mult 134,218
80.04 1 4kt0J CLA Rep, Mult 258,261
90.04 1 1id3H MN Rep, Mult 28,29
100.04 1 3f1eC MG Rep, Mult 209,212
110.04 1 4hchA MG Rep, Mult 36,39
120.04 1 1m34A SF4 Rep, Mult 121,122

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
10.0601od2A0.2667.030.0310.4556.3.4.14,6.4.1.2NA
20.0601ybeA0.2866.520.0520.4572.4.2.1136
30.0601jqnA0.2906.630.0760.4624.1.1.31NA
40.0602pflA0.2767.160.0250.4822.3.1.5471,77,166
50.0603ixzA0.2936.180.0240.4373.6.3.10NA
60.0602ebsB0.3136.430.0310.4953.2.1.150NA
70.0603g0bB0.2877.260.0570.4923.4.14.585
80.0601ej6A0.2997.130.0410.5022.7.7.50NA
90.0601h3gA0.2936.810.0240.4873.2.1.54NA
100.0602gbcA0.2867.370.0490.5053.4.14.5,3.4.15.5NA
110.0601k2yX0.2926.940.0650.4855.4.2.2,5.4.2.8NA
120.0602jg0A0.2886.870.0510.4853.2.1.28102
130.0602pffA0.3036.520.0420.4802.3.1.41,2.3.1.86NA
140.0601n1hA0.2906.740.0190.4672.7.7.48NA
150.0601uyrA0.2946.330.0500.4676.4.1.2,6.3.4.14NA
160.0601h16A0.2966.980.0400.4902.3.1.54NA
170.0602qf7A0.3057.350.0390.5356.4.1.13,148
180.0603cf4A0.2966.850.0220.4901.2.99.2169
190.0601z0hB0.2386.680.0250.3843.4.24.69NA

(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
00.080.5605.100.180.765gaoE GO:0000387 GO:0000398 GO:0000481 GO:0005634 GO:0005681 GO:0006397 GO:0008380 GO:0030529 GO:0045292 GO:0046540
10.060.2697.550.030.491bxrA GO:0000050 GO:0000166 GO:0003824 GO:0004087 GO:0004088 GO:0005524 GO:0005829 GO:0005951 GO:0006221 GO:0006526 GO:0006807 GO:0008652 GO:0016597 GO:0016874 GO:0019856 GO:0044205 GO:0046872
20.060.3177.250.060.554hnvB GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
30.060.2657.140.030.453tw6B GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
40.060.2816.260.030.434wyoB GO:0000166 GO:0003824 GO:0003989 GO:0004075 GO:0005524 GO:0005737 GO:0005783 GO:0005789 GO:0006606 GO:0006629 GO:0006631 GO:0006633 GO:0006998 GO:0008152 GO:0016020 GO:0016874 GO:0042759 GO:0046872 GO:2001295
50.060.3147.530.060.573bg5B GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
60.060.3167.190.040.544qslD GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
70.060.2976.730.020.504qslA GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
80.060.2977.200.040.514qslG GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
90.060.2946.330.050.471uyrA GO:0000166 GO:0003824 GO:0003989 GO:0004075 GO:0005524 GO:0005737 GO:0005783 GO:0005789 GO:0006606 GO:0006629 GO:0006631 GO:0006633 GO:0006998 GO:0008152 GO:0016020 GO:0016874 GO:0042759 GO:0046872 GO:2001295
100.060.2876.930.020.484qshC GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
110.060.3017.110.040.512qf7B GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
120.060.3047.690.040.562qf7A GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
130.060.2997.130.040.514rcnB GO:0003824 GO:0004075 GO:0005524 GO:0016874 GO:0046872
140.060.2686.190.060.414ouaB GO:0004503 GO:0008152 GO:0016491 GO:0046872 GO:0055114
150.060.2587.030.080.432vqdA GO:0000166 GO:0003824 GO:0003989 GO:0004075 GO:0005524 GO:0006629 GO:0006631 GO:0006633 GO:0016874 GO:0046872 GO:2001295
160.060.2207.070.050.382x24B
170.060.2646.910.040.453u9sA GO:0003824 GO:0004075 GO:0004485 GO:0005524 GO:0008300 GO:0046872 GO:1905202
180.060.2476.910.020.413w6qA GO:0004503 GO:0005634 GO:0008152 GO:0016491 GO:0046872 GO:0055114


Consensus prediction of GO terms
 
Molecular Function GO:0032550 GO:0035639 GO:0032559 GO:0043169 GO:0016879
GO-Score 0.46 0.46 0.46 0.46 0.36
Biological Processes GO:0006090 GO:0006094 GO:0000481 GO:0000387 GO:0045292 GO:0000050 GO:0006526 GO:0019856 GO:0044205 GO:0042759 GO:0006606 GO:2001295 GO:0006998
GO-Score 0.12 0.12 0.08 0.08 0.08 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06
Cellular Component GO:0005681 GO:0046540 GO:0005951 GO:0005829 GO:0005789
GO-Score 0.08 0.08 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.