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I-TASSER results for job id Rv3210c

[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
10.38 90 1nf4A FE2 Rep, Mult 36,66,69
20.20 20 4pgkA Y69 Rep, Mult 31,35,36,39,66,114,117,118,120,121,124,125,182,186,189,213,217
30.07 18 3qb9C FE Rep, Mult 43,62,66,118,149
40.06 15 4kvsA 6NA Rep, Mult 35,36,39,66,114,117,118,121
50.05 6 3ez0A UNL Rep, Mult 31,32,36,66,69,117,121,125,143
60.02 6 1xvgA BRJ Rep, Mult 28,31,32,95,124,195
70.01 4 1nf4B FEC Rep, Mult 33,40,41,44,48,60,67,71
80.01 2 1xvbB BHL Rep, Mult 28,95,121,124,182,185,186,195
90.00 1 1xvgC BRJ Rep, Mult 64,67,71
100.00 1 1xvgA BRJ Rep, Mult 39,43,59,63,114
110.00 1 1xvgA BRJ Rep, Mult 112,113,116,171,174,175
120.00 1 3u52A XE Rep, Mult 28,73,76,77,136,139

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
10.1943ee4A0.7603.080.1150.9311.17.4.1NA
20.1831krqA0.5022.710.0970.5931.16.3.1145
30.1763e6sF0.5012.480.0810.5841.16.3.169,126,129,144
40.1421eumE0.5042.490.1260.5841.16.3.1129,146
50.1392vuxB0.6713.290.0880.8361.17.4.1NA
60.1361h0nA0.7163.080.1050.8921.17.4.1NA
70.1352wlaA0.5242.990.0960.6151.16.3.1143
80.1213es3A0.5162.810.1080.6101.16.3.141,71
90.0883bvlF0.5082.830.0920.6021.16.3.164
100.0841uzrB0.7463.060.0950.9181.17.4.170
110.0752qcxB0.6273.280.0870.7753.5.99.265,69
120.0742rd3D0.6183.210.0650.7663.5.99.294
130.0602htnG0.5372.080.1410.5931.16.3.1149
140.0601jk0A0.7243.120.0910.9001.17.4.1NA
150.0601mfrW0.5172.730.0960.6101.16.3.141,71
160.0602j2fA0.6993.620.1020.8871.14.19.2,1.14.99.6NA
170.0601we1A0.5633.930.0450.7451.14.99.3118
180.0601mhyB0.7942.790.1010.9391.14.13.2532,40
190.0601rsrB0.7493.280.0750.9391.17.4.1NA
200.0601jkuA0.5573.200.0970.6671.11.1.6NA
210.0601xvgC0.7812.750.1200.9311.14.13.2532,40
220.0603hf1B0.7303.020.0910.8961.17.4.1NA
230.0601we1C0.5474.270.0470.7621.14.99.3115,118,142
240.0601iw1A0.5463.930.0730.7401.14.99.3NA
250.0601bg7A0.4463.180.0340.5581.16.3.141,71
260.0602bq1I0.7343.130.0950.9131.17.4.1NA
270.0601otwA0.6232.820.1140.7491.3.3.1171,121,144
280.0601r03A0.5202.720.1270.6101.16.3.1126
290.0601smsA0.7113.180.0870.8961.17.4.1NA
300.0601wowA0.5923.980.0500.7921.14.99.3NA
310.0602v8tA0.5302.860.0900.6231.11.1.6NA

(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
00.480.7623.040.130.943dhiA GO:0004497 GO:0006725 GO:0016491 GO:0019439 GO:0042203 GO:0046872 GO:0055114
10.350.7822.740.120.931fyzC GO:0004497 GO:0006725 GO:0006730 GO:0015049 GO:0015050 GO:0015947 GO:0016491 GO:0016709 GO:0055114
20.330.5312.400.150.603fvbA GO:0004322 GO:0005623 GO:0006826 GO:0006879 GO:0008199 GO:0046872 GO:0055114
30.330.5292.190.140.593gvyB GO:0004322 GO:0005623 GO:0006826 GO:0006879 GO:0008199 GO:0046872 GO:0055114
40.320.8163.030.140.984ii4A GO:0005829 GO:0010124 GO:0016491 GO:0055114 GO:0097266
50.300.5332.150.100.593bknA GO:0004322 GO:0005623 GO:0006826 GO:0006879 GO:0008199 GO:0046872 GO:0055114
60.300.5522.080.100.611nf6F GO:0004322 GO:0005623 GO:0006826 GO:0006879 GO:0006880 GO:0008199 GO:0016491 GO:0046872 GO:0055114
70.300.7892.970.120.943perA GO:0016491 GO:0019439 GO:0046872 GO:0051213 GO:0055114
80.290.7752.960.140.934mudD GO:0005829 GO:0010124
90.290.5212.380.120.591b71A GO:0005506 GO:0005737 GO:0016491 GO:0046872 GO:0055114
100.260.7172.970.130.874iitC GO:0010124
110.260.7232.940.120.874ii4C GO:0005829 GO:0010124
120.230.7573.000.100.932innA GO:0006725 GO:0016491 GO:0046872 GO:0055114
130.230.7492.570.100.883n1xB GO:0004497 GO:0006725 GO:0016491 GO:0016709 GO:0055114
140.210.5292.210.130.591jgcA GO:0004322 GO:0005623 GO:0006826 GO:0006879 GO:0008199 GO:0016491 GO:0046872 GO:0055114
150.210.5122.400.160.583qhbA GO:0009536 GO:0009842 GO:0016491 GO:0046872 GO:0055114
160.200.7513.260.110.942incA GO:0004497 GO:0006725 GO:0016491 GO:0046872 GO:0055114
170.150.7942.790.100.941mhyB GO:0004497 GO:0006725 GO:0006730 GO:0015049 GO:0016491 GO:0016709 GO:0055114
180.140.7702.480.120.882inpD GO:0006725 GO:0016491 GO:0016709 GO:0055114
190.130.5683.270.090.681veiA GO:0003677 GO:0005737 GO:0006879 GO:0006950 GO:0008199 GO:0009295 GO:0016491 GO:0016722 GO:0046872 GO:0055114
200.120.5513.140.090.652vxxB GO:0005623 GO:0006879 GO:0006950 GO:0008199 GO:0016722 GO:0046872 GO:0055114
210.120.5302.580.110.611n1qA GO:0003677 GO:0005737 GO:0006879 GO:0006950 GO:0008199 GO:0009295 GO:0016491 GO:0016722 GO:0030261 GO:0046872 GO:0055114
220.070.5132.020.150.572qqyA GO:0005623 GO:0006879 GO:0008199
230.060.3646.030.070.634ntcA GO:0000166 GO:0016491 GO:0055114
240.060.3456.730.050.664xddA GO:0005506 GO:0008901 GO:0009055 GO:0016491 GO:0046872 GO:0051536 GO:0051539 GO:0055114
250.060.3645.890.050.613kkzA GO:0046872 GO:0051536 GO:0051539
260.060.2935.860.040.521r30B GO:0003824 GO:0004076 GO:0005506 GO:0009102 GO:0016740 GO:0046872 GO:0051536 GO:0051537 GO:0051539
270.060.2746.100.040.492rjqA GO:0004222 GO:0005178 GO:0005576 GO:0005578 GO:0005615 GO:0005788 GO:0006508 GO:0008201 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0022617 GO:0031012 GO:0036066 GO:0042742 GO:0046872 GO:0050840
280.060.3186.340.040.582wm4A GO:0004497 GO:0005506 GO:0005886 GO:0006629 GO:0006631 GO:0006707 GO:0008395 GO:0010430 GO:0016491 GO:0016705 GO:0020037 GO:0036199 GO:0046872 GO:0055114 GO:0070402 GO:0097089


Consensus prediction of GO terms
 
Molecular Function GO:0004322 GO:0008199 GO:0015049 GO:0097266
GO-Score 0.55 0.55 0.35 0.32
Biological Processes GO:0055114 GO:0006879 GO:0006826 GO:0042203 GO:0006730 GO:0015947 GO:0010124
GO-Score 0.90 0.55 0.55 0.48 0.35 0.35 0.32
Cellular Component GO:0015050 GO:0005829
GO-Score 0.35 0.32

(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.