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I-TASSER results for job id Rv2114

[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
10.11 11 1nnfA EDT Rep, Mult 37,69,92,93
20.05 5 2z8fA UUU Rep, Mult 35,39,69,70,89,143,182
30.04 4 1k0yA CNO Rep, Mult 31,157,160,161
40.04 4 5d92A 8K6 Rep, Mult 158,161,165
50.03 3 2owtA CO3 Rep, Mult 35,36,94,115,140
60.02 2 1cq1B CA Rep, Mult 67,68
70.02 2 2zyoA GLC Rep, Mult 32,33,71,154,158
80.02 2 3k02A TXT Rep, Mult 46,91,140,141,142
90.01 1 5es4A MG Rep, Mult 9,11,181
100.01 1 2uvhA ADA Rep, Mult 194,195,198,201,202
110.01 1 1qw0A FE Rep, Mult 200,202
120.01 1 1o7tB HF5 Rep, Mult 11,12,39,44,45
130.01 1 1lt6P GAA Rep, Mult 125,126
140.01 1 2e9eB UUU Rep, Mult 188,191
150.01 1 3c5eA UNL Rep, Mult 45,176,179
160.01 1 2f2hA XTG Rep, Mult 49,50
170.01 1 4eqbA CA Rep, Mult 53,173
180.01 1 1kruA IPT Rep, Mult 171,202
190.01 1 1r1nE CN1 Rep, Mult 66,67,89,90,143
200.01 1 2o8mB III Rep, Mult 191,193

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
10.0601gqqA0.4265.600.0490.7256.3.2.8NA
20.0602dhtA0.4495.370.0690.7541.1.1.42NA
30.0601tccA0.4524.810.0400.6963.1.1.3NA
40.0602pplA0.4795.060.0560.7303.1.1.336
50.0603a1kA0.4475.330.0570.7393.5.1.4114,116
60.0601qo9A0.4475.170.0320.7253.1.1.7NA
70.0601crlA0.4645.300.0500.7543.1.1.3NA
80.0601eveA0.4535.300.0810.7633.1.1.7NA
90.0602wtzB0.4514.920.0570.7106.3.2.138
100.0601lpaB0.4744.800.0460.7153.1.1.3NA
110.0601gz7C0.4775.150.0450.7633.1.1.3173
120.0602iv0B0.4485.660.0670.7781.1.1.42NA
130.0601ethA0.4684.670.0460.7053.1.1.350
140.0601mx9D0.4615.200.0930.7343.1.1.1NA
150.0601rfuA0.4455.080.0320.7202.7.1.35NA
160.0601b41A0.4455.310.0450.7253.1.1.7NA
170.0601gz7A0.4745.100.0450.7583.1.1.3NA
180.0601cleA0.4635.220.0400.7493.1.1.3NA
190.0601k4yA0.4175.760.0470.7493.1.1.1NA

(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
00.070.6163.690.130.794r6yA GO:0006810 GO:0042597
10.070.5524.270.080.751xvyA GO:0005215 GO:0006810 GO:0006811 GO:0042597 GO:0046872 GO:0055072
20.070.5604.250.070.784hs7A GO:0005363 GO:0015768
30.070.5584.180.040.784edqA GO:0002027 GO:0003007 GO:0003779 GO:0005200 GO:0005215 GO:0005363 GO:0005856 GO:0005863 GO:0006810 GO:0006936 GO:0006974 GO:0007155 GO:0008016 GO:0008307 GO:0008643 GO:0015768 GO:0017022 GO:0030016 GO:0030017 GO:0030288 GO:0031034 GO:0031672 GO:0032036 GO:0032982 GO:0034289 GO:0042597 GO:0042802 GO:0042956 GO:0043190 GO:0045214 GO:0046872 GO:0055010 GO:0055052 GO:0060048 GO:0060326 GO:1901982 GO:1990060
40.070.5504.540.040.793waiA GO:0004576 GO:0005215 GO:0005363 GO:0006486 GO:0006810 GO:0006974 GO:0008643 GO:0015768 GO:0016020 GO:0016021 GO:0016740 GO:0030288 GO:0034289 GO:0042597 GO:0042956 GO:0043190 GO:0046872 GO:0055052 GO:0060326 GO:1901982 GO:1990060
50.070.5364.370.050.765disD GO:0005049 GO:0005215 GO:0005363 GO:0005487 GO:0005634 GO:0005643 GO:0005654 GO:0005829 GO:0005925 GO:0006406 GO:0006409 GO:0006606 GO:0006611 GO:0006810 GO:0006974 GO:0007077 GO:0008643 GO:0010827 GO:0015031 GO:0015768 GO:0016032 GO:0016925 GO:0019083 GO:0030288 GO:0031047 GO:0034289 GO:0042597 GO:0042956 GO:0043190 GO:0043231 GO:0043488 GO:0051028 GO:0051726 GO:0055052 GO:0060326 GO:0075733 GO:1900034 GO:1901982 GO:1990060
60.070.5644.160.060.773e13X GO:0046872
70.070.5534.270.040.784qszA 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
80.070.5454.340.060.774xajB GO:0000122 GO:0001077 GO:0001078 GO:0001662 GO:0002118 GO:0003677 GO:0003700 GO:0003707 GO:0005215 GO:0005363 GO:0005634 GO:0005654 GO:0006351 GO:0006355 GO:0006366 GO:0006367 GO:0006810 GO:0006974 GO:0007275 GO:0007399 GO:0007420 GO:0007601 GO:0008270 GO:0008284 GO:0008347 GO:0008643 GO:0015768 GO:0019899 GO:0021542 GO:0021764 GO:0021772 GO:0021819 GO:0021872 GO:0021895 GO:0021960 GO:0021987 GO:0030198 GO:0030288 GO:0034289 GO:0035019 GO:0035176 GO:0042597 GO:0042826 GO:0042956 GO:0043010 GO:0043066 GO:0043190 GO:0043401 GO:0043565 GO:0045165 GO:0045665 GO:0045766 GO:0045787 GO:0045944 GO:0046872 GO:0048712 GO:0048814 GO:0051128 GO:0055052 GO:0060041 GO:0060164 GO:0060291 GO:0060326 GO:0090049 GO:1901982 GO:1990060 GO:2000178 GO:2000179 GO:2000648
90.070.5494.330.040.773n94A 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
100.070.5484.220.040.764blbB GO:0000122 GO:0001501 GO:0001843 GO:0001947 GO:0003281 GO:0003714 GO:0004871 GO:0005215 GO:0005363 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0005929 GO:0006355 GO:0006508 GO:0006810 GO:0006974 GO:0007165 GO:0007275 GO:0007368 GO:0008013 GO:0008134 GO:0008643 GO:0015768 GO:0019901 GO:0021513 GO:0021775 GO:0021776 GO:0030288 GO:0034289 GO:0035904 GO:0042597 GO:0042956 GO:0042992 GO:0042994 GO:0043190 GO:0043433 GO:0043588 GO:0045668 GO:0045879 GO:0055052 GO:0060326 GO:0060976 GO:0072372 GO:0097542 GO:0097546 GO:1901621 GO:1901982 GO:1990060 GO:2000059
110.070.5444.450.040.773csbA 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
120.070.5454.460.060.774o2xA GO:0005215 GO:0005363 GO:0006508 GO:0006810 GO:0006974 GO:0008233 GO:0008643 GO:0015768 GO:0016787 GO:0030163 GO:0030288 GO:0034289 GO:0042597 GO:0042956 GO:0043190 GO:0055052 GO:0060326 GO:1901982 GO:1990060
130.070.5474.330.060.773dm0A GO:0004871 GO:0005078 GO:0005215 GO:0005363 GO:0005634 GO:0005737 GO:0005829 GO:0006417 GO:0006810 GO:0006974 GO:0007165 GO:0008643 GO:0009507 GO:0009739 GO:0009749 GO:0009845 GO:0009967 GO:0010228 GO:0010476 GO:0015768 GO:0022626 GO:0030288 GO:0032947 GO:0034289 GO:0042254 GO:0042597 GO:0042956 GO:0043190 GO:0046686 GO:0055052 GO:0060326 GO:0071215 GO:1901982 GO:1990060
140.070.5444.250.040.761y4cA 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
150.070.5464.290.040.773o3uN 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
160.070.5474.360.050.773d4gE GO:0001669 GO:0001809 GO:0001825 GO:0002081 GO:0002455 GO:0002687 GO:0002922 GO:0004871 GO:0005384 GO:0005576 GO:0005578 GO:0005615 GO:0005737 GO:0005771 GO:0005783 GO:0005794 GO:0005886 GO:0006828 GO:0006886 GO:0007339 GO:0010513 GO:0015279 GO:0016020 GO:0016021 GO:0030141 GO:0030246 GO:0031012 GO:0032190 GO:0032729 GO:0032753 GO:0035556 GO:0035803 GO:0042102 GO:0045860 GO:0045892 GO:0045893 GO:0048015 GO:0048471 GO:0048599 GO:0050729 GO:0051897 GO:0070528 GO:0070588 GO:0071421 GO:0090280 GO:2000344 GO:2000360 GO:2000368 GO:2000386 GO:2000388
170.070.5464.290.040.773py7A GO:0001725 GO:0003677 GO:0005178 GO:0005215 GO:0005363 GO:0005654 GO:0005737 GO:0005829 GO:0005856 GO:0005875 GO:0005886 GO:0005925 GO:0005938 GO:0006351 GO:0006355 GO:0006810 GO:0006936 GO:0006974 GO:0007155 GO:0007160 GO:0007165 GO:0007172 GO:0007173 GO:0007179 GO:0008013 GO:0008270 GO:0008643 GO:0015768 GO:0016032 GO:0017166 GO:0019901 GO:0030027 GO:0030054 GO:0030288 GO:0032403 GO:0034289 GO:0034614 GO:0042025 GO:0042597 GO:0042956 GO:0043190 GO:0044204 GO:0046872 GO:0048010 GO:0055052 GO:0060326 GO:0060396 GO:1901982 GO:1990060
180.070.5454.290.040.774my2A 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


Consensus prediction of GO terms
 
Molecular Function GO:0015154 GO:0043169
GO-Score 0.37 0.37
Biological Processes GO:0015766
GO-Score 0.37
Cellular Component GO:0044464
GO-Score 0.40

(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.