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I-TASSER results for job id Rv0365c

[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
10.08 3 2hodB CA Rep, Mult 96,97,100,101
20.06 2 1js4A CA Rep, Mult 215,216,219,220,272
30.06 2 2cqtA PO4 Rep, Mult 151,195,208,209
40.06 2 4d4bA MSX Rep, Mult 141,149,151,195,209,262
50.04 1 4d4dA IFM Rep, Mult 50,96,97,100,141,209,262
60.03 1 1vd5A DTT Rep, Mult 141,149
70.03 1 2zhcA MG Rep, Mult 195,196
80.03 1 3rj8A ZN Rep, Mult 175,179
90.03 1 1js4A CA Rep, Mult 57,105,108,109
100.03 1 3ungC CA Rep, Mult 195,196,261
110.03 1 1dogA MAN Rep, Mult 213,268,269,270,271,272
120.03 1 3l22A ZN Rep, Mult 187,189
130.03 1 1rq5A CA Rep, Mult 82,89,90,92,94,95,96,97

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
10.0682f6dA0.6864.550.0880.9023.2.1.3NA
20.0671ayxA0.6844.540.0910.8993.2.1.3334
30.0671ia7A0.6674.420.0750.8543.2.1.4NA
40.0671gaiA0.6824.400.0920.8863.2.1.3NA
50.0671is9A0.5923.730.0950.7053.2.1.4209,261
60.0672ri9B0.6654.650.0760.8783.2.1.113195
70.0671tnzL0.5744.520.0750.7612.5.1.59352
80.0671nxcA0.6644.470.0770.8593.2.1.113NA
90.0671wzzA0.5284.150.1040.6623.2.1.4141
100.0671n4pB0.5734.510.0720.7582.5.1.59,2.5.1.-NA
110.0601hzfA0.5474.140.1000.6893.4.21.43NA
120.0601h12A0.6084.410.0700.7853.2.1.8143
130.0601ks8A0.6574.460.1190.8513.2.1.4NA
140.0601fp3A0.7104.160.0860.8965.1.3.8NA
150.0602jg0A0.6564.110.0690.8303.2.1.28NA
160.0601kktA0.6674.600.0780.8803.2.1.113NA
170.0601ft1B0.5994.560.0710.7952.5.1.58,2.5.1.-NA
180.0601w6jA0.5634.030.0930.7075.4.99.7NA
190.0601fo2A0.6534.830.0680.8833.2.1.113152
200.0602sqcA0.6374.130.1130.7955.4.99.1797,207,209
210.0601dceB0.5844.340.0690.7552.5.1.60,2.5.1.-NA
220.0602vn7A0.6824.520.0990.8993.2.1.3171,173,176
230.0601ksdA0.6584.420.1250.8483.2.1.4NA
240.0601ojnA0.5735.100.0540.8034.2.2.1NA
250.0601fmiA0.6524.760.0830.8783.2.1.113NA
260.0602drsA0.6014.530.1110.7853.2.1.156141,209
270.0601g87B0.6744.490.1020.8753.2.1.4NA
280.0601dl2A0.6665.060.0650.9203.2.1.113NA
290.0601h54B0.5744.800.0890.7712.4.1.8NA

(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
00.510.8401.920.250.903k7xA GO:0003824
10.430.8032.090.190.865agdB GO:0003824 GO:0030246
20.390.7692.810.170.874mu9A GO:0003824 GO:0016787
30.370.7852.890.160.894c1sA GO:0003824
40.330.7583.150.130.884v1rA GO:0003824
50.220.6774.490.110.882xfgA GO:0000272 GO:0003824 GO:0004553 GO:0005975 GO:0008152 GO:0008810 GO:0016787 GO:0016798 GO:0030245 GO:0030246 GO:0030248 GO:0042802
60.200.6954.380.100.893wiwA GO:0003824 GO:0016787
70.140.7354.130.100.933h7lA GO:0003824 GO:0004553 GO:0005975 GO:0008810
80.120.7263.630.070.884z4jA GO:0003824 GO:0016853 GO:0047736
90.100.6883.990.080.852d8lA GO:0003824 GO:0005737 GO:0008152 GO:0016787 GO:0016798 GO:0102211
100.090.7014.110.080.882zblB GO:0003824 GO:0006044 GO:0016853 GO:0050121 GO:0061593 GO:1902777
110.080.6494.560.100.853wc3A GO:0000272 GO:0003824 GO:0004553 GO:0005975 GO:0008152 GO:0008810 GO:0016787 GO:0016798 GO:0030245 GO:0046872
120.080.6454.670.070.852yikA GO:0000272 GO:0003824 GO:0004553 GO:0005975 GO:0016787 GO:0046872
130.070.6254.820.100.852v8iA GO:0016829 GO:0016837 GO:0042597 GO:0045490 GO:0046872
140.070.4994.680.060.662veqA GO:0000775 GO:0000778 GO:0000921 GO:0000981 GO:0003677 GO:0005634 GO:0005694 GO:0006355 GO:0006357 GO:0007094 GO:0008270 GO:0008301 GO:0019237 GO:0031518 GO:0046872
150.060.2926.470.050.484g68A GO:0005215 GO:0006810
160.060.2756.390.060.442q02A GO:0046872
170.060.2846.800.040.472wkpA GO:0000139 GO:0000155 GO:0000160 GO:0000166 GO:0001891 GO:0001934 GO:0002093 GO:0002551 GO:0003382 GO:0003924 GO:0004672 GO:0004674 GO:0005524 GO:0005525 GO:0005622 GO:0005634 GO:0005737 GO:0005789 GO:0005802 GO:0005829 GO:0005884 GO:0005886 GO:0005925 GO:0006468 GO:0006897 GO:0006911 GO:0006928 GO:0006935 GO:0006954 GO:0006972 GO:0007010 GO:0007015 GO:0007155 GO:0007160 GO:0007186 GO:0007264 GO:0007411 GO:0007596 GO:0008283 GO:0008361 GO:0009611 GO:0009653 GO:0010310 GO:0010592 GO:0010762 GO:0010811 GO:0014041 GO:0016020 GO:0016023 GO:0016358 GO:0016477 GO:0017137 GO:0019897 GO:0019899 GO:0019901 GO:0021799 GO:0021831 GO:0021894 GO:0022604 GO:0023014 GO:0030027 GO:0030032 GO:0030036 GO:0030041 GO:0030168 GO:0030334 GO:0030742 GO:0030838 GO:0031012 GO:0031295 GO:0031410 GO:0031529 GO:0031901 GO:0031996 GO:0032587 GO:0032707 GO:0034446 GO:0035025 GO:0035556 GO:0035567 GO:0036464 GO:0038095 GO:0038096 GO:0042470 GO:0042826 GO:0042995 GO:0043065 GO:0043552 GO:0043652 GO:0045216 GO:0045453 GO:0045740 GO:0048010 GO:0048013 GO:0048261 GO:0048532 GO:0048812 GO:0048813 GO:0048870 GO:0048873 GO:0050690 GO:0051022 GO:0051056 GO:0051496 GO:0051668 GO:0051894 GO:0051932 GO:0060071 GO:0060263 GO:0070062 GO:0071260 GO:0071526 GO:0071542 GO:0072659 GO:0090023 GO:0090103 GO:0097178 GO:1900026
180.060.2796.930.060.481xa0A
190.060.2135.660.040.324fglD GO:0005654 GO:0005737 GO:0007613 GO:0008753 GO:0009055 GO:0016491 GO:0046872 GO:0055114 GO:0070062
200.060.2224.980.060.301ek0A GO:0000011 GO:0000166 GO:0003924 GO:0005525 GO:0005739 GO:0005768 GO:0005769 GO:0005770 GO:0005829 GO:0005886 GO:0006623 GO:0006810 GO:0006895 GO:0006897 GO:0007264 GO:0010008 GO:0015031 GO:0016020 GO:0030139 GO:0031966 GO:0032511 GO:0036010 GO:0036258 GO:0061709


Consensus prediction of GO terms
 
Molecular Function GO:0030246 GO:0016787
GO-Score 0.43 0.39
Biological Processes
GO-Score
Cellular Component
GO-Score

(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.