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I-TASSER results for job id Rv1468c

[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 4 3hbvP CA Rep, Mult 289,290,291,303,304,305,308
20.04 2 1af0A CA Rep, Mult 288,289,290,291,293,319
30.04 2 4g28B 0W8 Rep, Mult 54,55
40.04 2 2rh1A CLR Rep, Mult 53,77
50.02 1 1gdlA NO Rep, Mult 73,77
60.02 1 3fyeD HEA Rep, Mult 97,101
70.02 1 1af0A CA Rep, Mult 274,275,276,288,289,290,293
80.02 1 3ag3A PEK Rep, Mult 35,39,95
90.02 1 5l8gB CA Rep, Mult 45,76,79
100.02 1 1jiwP CA Rep, Mult 303,304,305,306,308,334
110.02 1 2quaA CA Rep, Mult 316,317,318,320,326,327,328,331
120.02 1 2yl4A ACP Rep, Mult 145,163,165,166,167,168
130.02 1 2drdA MIY Rep, Mult 201,204,208
140.02 1 2ymkA ZN Rep, Mult 41,45
150.02 1 3wmgA DMU Rep, Mult 88,92
160.02 1 3aodA MIY Rep, Mult 333,337,340
170.02 1 1smpA CA Rep, Mult 289,290,291,293,313,317

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
10.0602axqA0.3327.010.0490.5701.5.1.10NA
20.0601g0dA0.3386.570.0400.5492.3.2.13NA
30.0601ti6A0.3356.760.0510.5571.97.1.2119,331
40.0602vdcF0.3116.960.0360.5321.4.1.13152
50.0602rd0A0.2906.720.0150.4762.7.1.153263,267,280
60.0603iydD0.3407.020.0440.5842.7.7.6185,228
70.0601mhsA0.3805.970.0430.5623.6.3.6NA
80.0601no3A0.3327.090.0350.5761.13.11.12NA
90.0601kzhB0.3317.170.0530.5922.7.1.90NA
100.0601mo7A0.1705.900.0490.2623.6.3.9123,164
110.0602pffA0.3527.490.0450.6352.3.1.41,2.3.1.86NA
120.0602cseW0.3676.650.0490.6053.6.4.13NA
130.0601ygeA0.2776.870.0200.4621.13.11.12NA
140.0601eulA0.3546.180.0450.5403.6.3.8NA
150.0603cf4A0.3297.340.0510.5781.2.99.2NA
160.0603c4wB0.3266.530.0200.5462.7.11.14147
170.0602qf7B0.3117.340.0560.5596.4.1.1NA
180.0602iukA0.2617.440.0450.4861.13.11.12NA
190.0603b8cB0.3317.130.0500.5593.6.3.6348

(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
00.060.4086.000.030.632iw3B GO:0000166 GO:0001933 GO:0003723 GO:0003746 GO:0005524 GO:0005737 GO:0005840 GO:0006412 GO:0006414 GO:0006415 GO:0006469 GO:0010494 GO:0016887 GO:0019843 GO:0022626 GO:0042788
10.060.3156.650.080.515c73A GO:0000166 GO:0005524 GO:0006810 GO:0016021 GO:0016887 GO:0042626 GO:0055085
20.060.3284.990.030.445da9A GO:0000723 GO:0005089 GO:0005524 GO:0005634 GO:0006281 GO:0016887 GO:0030870 GO:0035023 GO:0043547
30.060.3015.990.040.464mrrA GO:0000166 GO:0005524 GO:0005886 GO:0006810 GO:0006811 GO:0016020 GO:0016021 GO:0016887 GO:0042626 GO:0046689 GO:0055085
40.060.3695.740.090.544m1mA GO:0000086 GO:0000166 GO:0002481 GO:0002485 GO:0002489 GO:0002591 GO:0005524 GO:0005886 GO:0006810 GO:0006855 GO:0008559 GO:0009986 GO:0015893 GO:0016020 GO:0016021 GO:0016787 GO:0016887 GO:0042623 GO:0042626 GO:0042908 GO:0046581 GO:0055085 GO:0070062 GO:0072089
50.060.2787.030.030.484crmP GO:0000054 GO:0000166 GO:0003743 GO:0005506 GO:0005524 GO:0005634 GO:0005737 GO:0005852 GO:0006364 GO:0006412 GO:0006413 GO:0006415 GO:0006810 GO:0016887 GO:0022626 GO:0032790 GO:0042254 GO:0042273 GO:0043024 GO:0045727
60.060.3086.640.070.513wmgA GO:0000166 GO:0005524 GO:0006810 GO:0016020 GO:0016021 GO:0016887 GO:0042626 GO:0055085
70.060.2916.700.050.493jctb GO:0000054 GO:0000166 GO:0005525 GO:0005634 GO:0005730 GO:0006364 GO:0030687 GO:0042254 GO:0042273 GO:1902626
80.060.2987.010.050.514f4cA GO:0000166 GO:0005524 GO:0006810 GO:0006855 GO:0008559 GO:0010038 GO:0015562 GO:0016020 GO:0016021 GO:0016324 GO:0016787 GO:0016887 GO:0042626 GO:0042908 GO:0045087 GO:0050829 GO:0055085 GO:0093002
90.060.3235.570.060.463b5xA GO:0000166 GO:0005319 GO:0005524 GO:0005886 GO:0006810 GO:0006869 GO:0016020 GO:0016021 GO:0016787 GO:0016887 GO:0034040 GO:0042626 GO:0043190 GO:0055085
100.060.2846.900.040.483jagjj GO:0000166 GO:0005524 GO:0005737 GO:0005739 GO:0016020 GO:0016887
110.060.3466.020.070.534q4aA GO:0000166 GO:0005524 GO:0006810 GO:0006869 GO:0016020 GO:0016021 GO:0016887 GO:0034040 GO:0042626 GO:0046872 GO:0055085
120.060.3336.610.040.542r6fB GO:0000166 GO:0003677 GO:0003824 GO:0004518 GO:0005524 GO:0005737 GO:0006281 GO:0006289 GO:0006974 GO:0008270 GO:0009380 GO:0009381 GO:0009432 GO:0016887 GO:0046872 GO:0090305
130.060.2727.500.030.511xzpA GO:0000166 GO:0002098 GO:0003924 GO:0005525 GO:0005622 GO:0005737 GO:0006400 GO:0008033 GO:0016787 GO:0030488 GO:0046872
140.060.2847.070.050.494mycA GO:0000166 GO:0005524 GO:0005739 GO:0005743 GO:0006810 GO:0006811 GO:0006879 GO:0016020 GO:0016021 GO:0016887 GO:0022857 GO:0042626 GO:0044281 GO:0055072 GO:0055085
150.060.3037.030.050.514a82A GO:0000166 GO:0005524 GO:0005886 GO:0006810 GO:0016020 GO:0016021 GO:0016787 GO:0016887 GO:0042626 GO:0055085
160.060.2506.730.030.423bk7A GO:0000166 GO:0005524 GO:0016887 GO:0046872 GO:0051536 GO:0051539
170.060.2807.320.030.513qf4B GO:0000166 GO:0005524 GO:0005886 GO:0006810 GO:0016020 GO:0016021 GO:0016887 GO:0042626 GO:0055085
180.060.2376.810.020.395f9hG GO:0000166 GO:0002230 GO:0002376 GO:0003676 GO:0003690 GO:0003723 GO:0003725 GO:0003727 GO:0004386 GO:0005524 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005923 GO:0008270 GO:0009597 GO:0009615 GO:0010628 GO:0015629 GO:0016020 GO:0016032 GO:0016787 GO:0016817 GO:0030054 GO:0030334 GO:0032480 GO:0032587 GO:0032725 GO:0032727 GO:0032728 GO:0032755 GO:0032757 GO:0034344 GO:0039528 GO:0039529 GO:0042802 GO:0042993 GO:0042995 GO:0043330 GO:0045087 GO:0045944 GO:0046872 GO:0051091 GO:0051607


Consensus prediction of GO terms
 
Molecular Function GO:0032550 GO:0032559 GO:0035639 GO:0015405 GO:0043492 GO:0016820
GO-Score 0.56 0.56 0.56 0.36 0.36 0.36
Biological Processes GO:0044763 GO:0044765
GO-Score 0.36 0.36
Cellular Component GO:0016021 GO:0005886 GO:0042788 GO:0010494 GO:0022626 GO:0030870 GO:0009986 GO:0046581 GO:0070062
GO-Score 0.18 0.12 0.07 0.07 0.07 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.