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I-TASSER results for job id Rv2340c

[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 3 3pslA III Rep, Mult 117,118,119,137,140,141,157,309,311
20.07 3 3hbvP CA Rep, Mult 271,272,273,275,282,283,284,287
30.02 1 3d6wB MG Rep, Mult 215,231
40.02 1 3t7dA MG Rep, Mult 25,28
50.02 1 3fbyA CA Rep, Mult 110,120
60.02 1 3ckgA MG Rep, Mult 306,316,318
70.02 1 3d5dP MG Rep, Mult 326,327,328
80.02 1 1efkA NAD Rep, Mult 74,75
90.02 1 1h71P CA Rep, Mult 335,336,337,339,346,347,348,351
100.02 1 4agiA SFU Rep, Mult 125,127,305,318
110.02 1 1af0A CA Rep, Mult 329,330,331,333,340,341,342
120.02 1 4xgcC III Rep, Mult 63,64
130.02 1 2vn4A MAN Rep, Mult 173,174
140.02 1 3odtA CA Rep, Mult 117,309,315
150.02 1 1go7P CA Rep, Mult 271,273,307,309
160.02 1 1sqj0 III Rep, Mult 291,320,321,322
170.02 1 1af0A CA Rep, Mult 274,276,313,315

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
10.0601ofdA0.3837.360.0560.6661.4.7.1NA
20.0602madH0.3945.540.1050.5521.4.99.3198
30.0601kitA0.3897.170.0360.6563.2.1.18NA
40.0601y4wA0.4016.360.0670.6083.2.1.80NA
50.0601qbaA0.3876.760.0570.6223.2.1.52231
60.0602wyhA0.3916.670.0680.6323.2.1.24144,168
70.0601a4gA0.3885.250.0600.5333.2.1.18NA
80.0601j0mA0.3916.500.0690.6134.2.2.12NA
90.0603lxuX0.3887.210.0380.6543.4.14.10194,196
100.0603ffzA0.3917.080.0310.6593.4.24.69NA
110.0603kf5A0.4166.130.0610.6133.2.1.26NA
120.0601jofA0.4004.590.0270.5045.5.1.5NA
130.0602ecfA0.3966.330.0690.5963.4.14.5NA
140.0601k32A0.3897.300.0290.6613.4.21.-NA
150.0602qr5A0.3556.000.0420.5213.4.19.1NA
160.0601llwA0.4046.910.0460.6541.4.7.1NA
170.0601xc6A0.3917.550.0660.6933.2.1.23126,140
180.0601yrzA0.3856.590.0510.5983.2.1.37350
190.0601y9mA0.4026.350.0570.6083.2.1.80NA

(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
00.070.5635.910.080.833j2tA GO:0000166 GO:0001666 GO:0001843 GO:0005524 GO:0005634 GO:0005737 GO:0005829 GO:0006915 GO:0006919 GO:0007275 GO:0007399 GO:0007420 GO:0007568 GO:0007584 GO:0008635 GO:0008656 GO:0010659 GO:0030154 GO:0030900 GO:0031072 GO:0034349 GO:0042802 GO:0042981 GO:0043065 GO:0043293 GO:0043531 GO:0051260 GO:0051402 GO:0070059 GO:0070062 GO:0071560 GO:0072432 GO:0097190 GO:0097193 GO:1902510 GO:2001235
10.070.5495.320.040.763sfzA GO:0000166 GO:0001666 GO:0001843 GO:0005524 GO:0005634 GO:0005737 GO:0005829 GO:0006915 GO:0006919 GO:0007275 GO:0007420 GO:0007568 GO:0007584 GO:0008635 GO:0008656 GO:0010659 GO:0030154 GO:0030900 GO:0031072 GO:0034349 GO:0042802 GO:0042981 GO:0043293 GO:0043531 GO:0051260 GO:0051402 GO:0070059 GO:0070062 GO:0071560 GO:0097190 GO:1902510 GO:2001235
20.070.4414.580.070.552ymuA GO:0016020 GO:0016021
30.070.4864.790.070.634ci8A GO:0000226 GO:0002244 GO:0005509 GO:0005737 GO:0005829 GO:0005856 GO:0005874 GO:0005875 GO:0007052 GO:0007405 GO:0007420 GO:0008017 GO:0015631 GO:0048471 GO:0097431 GO:1990023
40.070.4325.460.070.611nr0A GO:0003779 GO:0005737 GO:0005856 GO:0016528 GO:0030016 GO:0030240 GO:0030836 GO:0030837 GO:0040011 GO:0040012 GO:0042643 GO:0051015 GO:0071689
50.070.4945.110.060.664xfvA GO:0002098 GO:0005634 GO:0005654 GO:0005737 GO:0006351 GO:0006355 GO:0006357 GO:0006810 GO:0008017 GO:0015031 GO:0032447 GO:0033588
60.070.4794.860.050.631pguB GO:0003779 GO:0005737 GO:0005856 GO:0005884 GO:0006970 GO:0030042 GO:0030479 GO:0032466 GO:0051016
70.070.4406.370.050.664nsxA GO:0005634 GO:0005654 GO:0005730 GO:0006364 GO:0030529 GO:0031167 GO:0032040 GO:0034388 GO:0042254 GO:0042274
80.060.4395.080.090.571l0qA GO:0016020 GO:0016021
90.060.4424.710.070.555cvlA GO:0000724 GO:0005634 GO:0005737 GO:0005764 GO:0005768 GO:0005770 GO:0006974 GO:0007283 GO:0007338 GO:0008584 GO:0016032 GO:0016579 GO:0035264 GO:0043588 GO:0048568 GO:0048705 GO:0048872 GO:0050679 GO:0072520 GO:1902525
100.060.4325.930.050.623dm0A GO:0004871 GO:0005078 GO:0005215 GO:0005363 GO:0005634 GO:0005737 GO:0005829 GO:0006417 GO:0006810 GO:0006974 GO:0007165 GO:0008643 GO:0009507 GO:0009739 GO:0009749 GO:0009845 GO:0009967 GO:0010228 GO:0010476 GO:0015768 GO:0022626 GO:0030288 GO:0032947 GO:0034289 GO:0042254 GO:0042597 GO:0042956 GO:0043190 GO:0046686 GO:0055052 GO:0060326 GO:0071215 GO:1901982 GO:1990060
110.060.3963.970.090.474aezA GO:0000070 GO:0005634 GO:0007049 GO:0007067 GO:0010997 GO:0032153 GO:0033597 GO:0034613 GO:0044732 GO:0051301 GO:0072686 GO:0097027 GO:1904668
120.060.3535.580.060.495g04R GO:0000922 GO:0005634 GO:0005654 GO:0005680 GO:0005737 GO:0005813 GO:0005815 GO:0005819 GO:0005829 GO:0005856 GO:0007049 GO:0007062 GO:0007067 GO:0007399 GO:0008022 GO:0008284 GO:0010997 GO:0016567 GO:0019899 GO:0030154 GO:0031145 GO:0031915 GO:0040020 GO:0042787 GO:0042826 GO:0043161 GO:0043234 GO:0048471 GO:0050773 GO:0051301 GO:0051436 GO:0051437 GO:0051439 GO:0090129 GO:0097027 GO:1904668
130.060.4134.390.070.513mmyC GO:0000972 GO:0003723 GO:0005634 GO:0005635 GO:0005643 GO:0005730 GO:0005737 GO:0006406 GO:0006409 GO:0006606 GO:0007077 GO:0008017 GO:0010827 GO:0016032 GO:0016925 GO:0019083 GO:0031047 GO:0043130 GO:0071407 GO:0075733 GO:1900034
140.060.3444.870.050.464v3pSa GO:0007165
150.060.3924.180.060.485a31R GO:0005634 GO:0005680 GO:0005737 GO:0007049 GO:0007067 GO:0010697 GO:0010997 GO:0030332 GO:0045842 GO:0051301 GO:0097027 GO:1904668 GO:2000060 GO:2000600
160.060.3964.050.050.474xyhA GO:0000070 GO:0000778 GO:0000790 GO:0005634 GO:0005829 GO:0051382 GO:0061638 GO:0061641 GO:0070317 GO:0098654
170.060.3994.150.040.484bujC GO:0000228 GO:0005634 GO:0005694 GO:0005737 GO:0006461 GO:0007131 GO:0034427 GO:0051321 GO:0051607 GO:0055087 GO:0065004 GO:0070478 GO:0070481
180.060.3903.880.050.463i2nA GO:0006915 GO:0043130


Consensus prediction of GO terms
 
Molecular Function GO:0031072 GO:0042802 GO:0005524 GO:0043531 GO:0008656 GO:0005509 GO:0051015 GO:0008017
GO-Score 0.13 0.13 0.13 0.13 0.13 0.07 0.07 0.07
Biological Processes GO:0060322 GO:0048513 GO:0007417
GO-Score 0.37 0.37 0.37
Cellular Component GO:0044444
GO-Score 0.37

(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.