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I-TASSER results for job id Rv2578c

[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
10.40 10 4fhcA EEM Rep, Mult 78,79,80,81,127,130,131,160,162,187,226,228,229,262,263,264
20.13 4 3rf9A SF4 Rep, Mult 72,74,75,76,79,82,128,130,162
30.03 1 4fhfA 0TT Rep, Mult 80,84,125,128,160,185,261,264,324,326

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
10.0693cb8A0.5583.570.1130.6761.97.1.478,82
20.0661r30B0.5523.510.0960.6732.8.1.672,76,79
30.0603f4vA0.4885.080.0520.6713.2.1.21NA
40.0603cmjA0.5085.160.0720.7213.2.1.21NA
50.0601b1yA0.4924.840.0580.6683.2.1.2NA
60.0601gonA0.5175.030.0800.7243.2.1.21NA
70.0602cerA0.4985.370.0770.7243.2.1.23160
80.0601itxA0.4984.570.0600.6683.2.1.14NA
90.0602dgaA0.5095.350.0520.7323.2.1.21NA
100.0602pbgA0.5205.310.0590.7533.2.1.85NA
110.0601myrA0.5055.150.0730.7243.2.1.147255
120.0603gnoA0.5045.310.0660.7323.2.1.21NA
130.0601qoxM0.5115.140.0790.7243.2.1.21NA
140.0601t7lA0.4385.040.0380.6032.1.1.14NA
150.0603b9eA0.5045.140.0420.7123.2.1.14NA
160.0603bq5A0.4684.700.0500.6322.1.1.14NA
170.0602vr5A0.5115.710.0460.7763.2.1.-200
180.0601edqA0.5035.030.0630.7003.2.1.14NA
190.0601od0B0.5105.120.0800.7243.2.1.21NA
200.0601vffA0.5085.090.0570.7183.2.1.21NA
210.0603gnrA0.5035.230.0440.7213.2.1.21202

(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
00.350.8451.950.130.914fhcA GO:0003913 GO:0016829 GO:0046872 GO:0051536 GO:0051539
10.230.5523.510.100.671r30B GO:0003824 GO:0004076 GO:0005506 GO:0009102 GO:0016740 GO:0046872 GO:0051536 GO:0051537 GO:0051539
20.170.5603.730.150.693c8fA GO:0003824 GO:0005737 GO:0005829 GO:0005975 GO:0006006 GO:0006974 GO:0016491 GO:0018307 GO:0043365 GO:0046872 GO:0051536 GO:0051539 GO:0055114
30.100.5463.730.090.673t7vA GO:0003824 GO:0008652 GO:0016765 GO:0016853 GO:0016866 GO:0046872 GO:0051188 GO:0051536 GO:0051539 GO:0071524
40.070.4112.890.110.473canA GO:0003824 GO:0016491 GO:0016829 GO:0051536 GO:0051539 GO:0055114
50.070.5593.630.100.684u0pB GO:0003824 GO:0005737 GO:0009107 GO:0009249 GO:0016740 GO:0016783 GO:0016992 GO:0046872 GO:0051536 GO:0051539
60.070.5593.880.080.704r33A GO:0003824 GO:0046872 GO:0051536 GO:0051539
70.070.5523.690.100.685ff2A GO:0003824 GO:0016491 GO:0016765 GO:0046872 GO:0051188 GO:0051536 GO:0051537 GO:0051539 GO:0055114
80.070.5483.780.090.675hr7A GO:0000049 GO:0002935 GO:0003824 GO:0005737 GO:0005829 GO:0006364 GO:0008033 GO:0008168 GO:0008173 GO:0016740 GO:0019843 GO:0030488 GO:0032259 GO:0046677 GO:0046872 GO:0051536 GO:0051539 GO:0070040 GO:0070475
90.070.5423.960.100.694rtbA GO:0003824 GO:0009228 GO:0046872 GO:0051536 GO:0051539
100.070.5414.160.080.694wcxA GO:0003824 GO:0046872 GO:0051536 GO:0051539
110.060.4494.670.110.602y7dD GO:0003824 GO:0016740 GO:0019475 GO:0046872
120.060.3755.890.090.581dj3A GO:0000166 GO:0004019 GO:0005525 GO:0006164 GO:0009507 GO:0009536 GO:0016874 GO:0044208 GO:0046872
130.060.3615.990.060.554k3uA GO:0016787
140.060.3775.480.070.562v40A GO:0000166 GO:0000287 GO:0002376 GO:0004019 GO:0005525 GO:0005737 GO:0005829 GO:0005886 GO:0006164 GO:0006167 GO:0006531 GO:0009168 GO:0014074 GO:0016874 GO:0042301 GO:0044208 GO:0046040 GO:0046872 GO:0060359 GO:0070062 GO:0071257
150.060.3974.770.030.541f3tB GO:0003824 GO:0004586 GO:0006596 GO:0016829 GO:0016831 GO:0033387
160.060.2866.110.040.454ii4A GO:0005829 GO:0010124 GO:0016491 GO:0055114 GO:0097266
170.060.2856.760.040.492jiiB GO:0000166 GO:0004672 GO:0004674 GO:0005524 GO:0005634 GO:0005737 GO:0006468 GO:0008360 GO:0018105 GO:0019903 GO:0032516 GO:0070373
180.060.2756.100.050.424goxA GO:0003824 GO:0008152 GO:0016740 GO:0031177


Consensus prediction of GO terms
 
Molecular Function GO:0051539 GO:0046914 GO:0070283 GO:0016783 GO:0003913 GO:0043364
GO-Score 0.65 0.45 0.45 0.45 0.35 0.35
Biological Processes GO:0072330 GO:0006768 GO:0042364 GO:0006464 GO:0019318 GO:0033554
GO-Score 0.45 0.45 0.45 0.35 0.35 0.35
Cellular Component GO:0044444
GO-Score 0.35

(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.