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I-TASSER results for job id Rv0479c

[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
10.06 3 3ufkA NTA Rep, Mult 141,144,347
20.04 2 3ucpA HEC Rep, Mult 42,43,62,66,67,95,106,109,110,111,114,123,129,132,133,136
30.04 2 3cmvE ANP Rep, Mult 160,161,162,199
40.04 2 3q2vA MAN Rep, Mult 158,323,325
50.04 2 3cmvG ANP Rep, Mult 10,11,12,13,14,15,16
60.02 1 2o012 CLA Rep, Mult 32,36
70.02 1 1xmvA MG Rep, Mult 268,273,275
80.02 1 1sijA FES Rep, Mult 80,81,90,95,96,97
90.02 1 3q2vB MAN Rep, Mult 157,323
100.02 1 3ufhA HEC Rep, Mult 38,39,40
110.02 1 2v8vD URP Rep, Mult 211,263
120.02 1 1ib4B MAN Rep, Mult 221,223
130.02 1 3ucpA HEC Rep, Mult 10,37,38,40
140.02 1 2jecB MN Rep, Mult 267,317
150.02 1 3qguA AZI Rep, Mult 331,333
160.02 1 4dl1A 0KY Rep, Mult 48,49
170.02 1 3sjqC PHU Rep, Mult 146,149
180.02 1 2axtl UNK Rep, Mult 120,123
190.02 1 1ia5A MAN Rep, Mult 219,221
200.02 1 3nkqA NKQ Rep, Mult 81,84

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
10.0601bglA0.3227.100.0460.5783.2.1.23NA
20.0601bf2A0.3546.730.0270.6013.2.1.68NA
30.0602e1qA0.3706.530.0530.6181.17.3.2,1.17.1.4NA
40.0601no3A0.3576.940.0910.6151.13.11.12NA
50.0601ynnJ0.2036.690.0420.3512.7.7.659,295
60.0603fvyA0.3656.760.0320.6123.4.14.4220
70.0603eqlD0.3606.980.0340.6382.7.7.6216,220,272
80.0601h16A0.3057.200.0380.5602.3.1.54NA
90.0601sj2A0.3626.710.0580.6091.11.1.6,1.11.1.7NA
100.0601rs0A0.2817.250.0270.5173.4.21.47NA
110.0601q16A0.3696.370.0420.5951.7.99.4NA
120.0601n63B0.3676.770.0410.6181.2.99.2NA
130.0602pffA0.3526.270.0300.5692.3.1.41,2.3.1.86NA
140.0601vlbA0.3846.990.0370.6721.2.99.759
150.0602ok5A0.3567.020.0260.6323.4.21.47286,288
160.0601dgjA0.3896.840.0370.6691.2.-.-300
170.0603f2bA0.3726.680.0510.6212.7.7.7323
180.0602fxhA0.3566.940.0350.6151.11.1.7,1.11.1.6233
190.0603kvnX0.3796.780.0860.6473.1.1.1NA

(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
00.190.8352.660.100.933ucpA GO:0046872 GO:0055114
10.070.5175.090.060.724lmhD GO:0009055 GO:0046872
20.070.5025.340.050.714lm8A GO:0009055 GO:0046872
30.070.4854.690.070.653pmqA GO:0009055 GO:0046872
40.060.3406.970.040.612b7rA GO:0000104 GO:0009055 GO:0009061 GO:0016491 GO:0019645 GO:0030288 GO:0042597 GO:0046872 GO:0055114
50.060.2886.760.040.494fe9A GO:0005975 GO:0005982 GO:0005983 GO:0009279 GO:0016020 GO:0019867 GO:2001070
60.060.2466.950.020.433o3uN GO:0001914 GO:0001933 GO:0001934 GO:0001937 GO:0004872 GO:0004888 GO:0005215 GO:0005363 GO:0005576 GO:0005615 GO:0005737 GO:0005829 GO:0005886 GO:0005887 GO:0006810 GO:0006954 GO:0006974 GO:0007162 GO:0007166 GO:0007259 GO:0007420 GO:0008643 GO:0009100 GO:0009611 GO:0009750 GO:0009925 GO:0009986 GO:0010508 GO:0010596 GO:0010628 GO:0010718 GO:0010763 GO:0014823 GO:0014911 GO:0015768 GO:0016020 GO:0016021 GO:0030288 GO:0030324 GO:0030335 GO:0030424 GO:0031175 GO:0032693 GO:0032735 GO:0032966 GO:0033189 GO:0033595 GO:0033689 GO:0034289 GO:0035690 GO:0042104 GO:0042597 GO:0042802 GO:0042956 GO:0043025 GO:0043065 GO:0043190 GO:0043525 GO:0044548 GO:0045087 GO:0048146 GO:0048661 GO:0050729 GO:0050785 GO:0051092 GO:0051595 GO:0055052 GO:0055074 GO:0055093 GO:0060100 GO:0060290 GO:0060326 GO:0070301 GO:0070379 GO:0071333 GO:0071398 GO:0071407 GO:0072714 GO:1901018 GO:1901216 GO:1901982 GO:1990060 GO:2000353 GO:2000379 GO:2000514 GO:2000676 GO:2001200
70.060.3476.620.020.581qo8A GO:0000104 GO:0016491 GO:0042597 GO:0046872 GO:0055114
80.060.2867.330.030.521gwsA GO:0009055 GO:0020037 GO:0042597 GO:0046872 GO:0055114
90.060.3356.650.030.561d4cA GO:0000104 GO:0006099 GO:0009061 GO:0016491 GO:0042597 GO:0046872 GO:0055114
100.060.2656.170.050.434ed9A GO:0003824 GO:0016740
110.060.2407.200.040.434rkmB GO:0005506 GO:0005507 GO:0009061 GO:0016002 GO:0016491 GO:0016667 GO:0020037 GO:0042597 GO:0046872 GO:0055114 GO:0070207 GO:0070814 GO:1903136
120.060.2477.050.020.443a3cA GO:0003756 GO:0005215 GO:0005363 GO:0005739 GO:0005743 GO:0005758 GO:0006457 GO:0006626 GO:0006810 GO:0006974 GO:0008643 GO:0015031 GO:0015035 GO:0015768 GO:0016020 GO:0016021 GO:0016491 GO:0016972 GO:0030288 GO:0031305 GO:0034289 GO:0042597 GO:0042956 GO:0043190 GO:0045041 GO:0051537 GO:0055052 GO:0055114 GO:0060326 GO:1901982 GO:1990060
130.060.2486.660.020.433l2jA GO:0001501 GO:0001503 GO:0002062 GO:0002076 GO:0004871 GO:0004888 GO:0004930 GO:0004991 GO:0005215 GO:0005363 GO:0005622 GO:0005634 GO:0005737 GO:0005829 GO:0005886 GO:0005887 GO:0006810 GO:0006874 GO:0006974 GO:0007165 GO:0007166 GO:0007186 GO:0007187 GO:0007188 GO:0007189 GO:0007200 GO:0007204 GO:0007568 GO:0008284 GO:0008285 GO:0008643 GO:0015768 GO:0016020 GO:0016021 GO:0016323 GO:0016324 GO:0017046 GO:0030282 GO:0030288 GO:0031526 GO:0034289 GO:0042597 GO:0042956 GO:0043190 GO:0043235 GO:0043621 GO:0045453 GO:0048469 GO:0055052 GO:0060326 GO:0060732 GO:0070062 GO:1901982 GO:1990060
140.060.2566.980.040.454my2A GO:0001890 GO:0005109 GO:0005125 GO:0005215 GO:0005363 GO:0005576 GO:0005615 GO:0006810 GO:0007033 GO:0007165 GO:0007267 GO:0007399 GO:0007601 GO:0007605 GO:0008083 GO:0008283 GO:0008643 GO:0009986 GO:0015768 GO:0016055 GO:0031012 GO:0035426 GO:0042597 GO:0042803 GO:0045893 GO:0050896 GO:0051091 GO:0060070 GO:0061299
150.060.2537.050.040.453ehuA GO:0004871 GO:0004888 GO:0004930 GO:0005215 GO:0005363 GO:0005768 GO:0005886 GO:0005887 GO:0006810 GO:0006955 GO:0006974 GO:0007165 GO:0007166 GO:0007186 GO:0007190 GO:0007565 GO:0007567 GO:0008643 GO:0010578 GO:0010579 GO:0015056 GO:0015768 GO:0016020 GO:0016021 GO:0030288 GO:0031226 GO:0034289 GO:0042597 GO:0042956 GO:0043190 GO:0051458 GO:0055052 GO:0060326 GO:0071376 GO:1901386 GO:1901982 GO:1990060 GO:2000852
160.060.2667.050.040.473n94A GO:0005215 GO:0005363 GO:0006810 GO:0006974 GO:0008643 GO:0015768 GO:0030288 GO:0034289 GO:0042597 GO:0042956 GO:0043190 GO:0055052 GO:0060326 GO:1901982 GO:1990060
170.060.2446.880.040.425a9q4 GO:0000775 GO:0000776 GO:0000777 GO:0000973 GO:0005487 GO:0005634 GO:0005635 GO:0005643 GO:0005654 GO:0005694 GO:0005813 GO:0005829 GO:0006355 GO:0006406 GO:0006409 GO:0006606 GO:0006810 GO:0007062 GO:0007077 GO:0010827 GO:0015031 GO:0016020 GO:0016032 GO:0016925 GO:0017056 GO:0019083 GO:0031047 GO:0031080 GO:0031965 GO:0034399 GO:0051028 GO:0051292 GO:0075733 GO:1900034
180.060.2136.450.030.353ov0A GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0046872
GO-Score 0.38
Biological Processes GO:0044710
GO-Score 0.47
Cellular Component GO:0030288
GO-Score 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.