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I-TASSER results for job id Rv2717c

[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 1 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
10.48 6 3emmA HEM Rep, Mult 29,33,35,55,65,85,89,124,125,128,130,143,145,155,156
20.08 3 1opbB RET Rep, Mult 25,37,39,53,130,132,141,143
30.07 2 3wjcB RMD Rep, Mult 53,65,67,85,87,89,145,155
40.05 2 3elzA CHD Rep, Mult 51,53,71,83,84,85,95,106,108,130,132
50.03 1 1uynX CXE Rep, Mult 132,134,136,139,141
60.03 1 1qd6D HDS Rep, Mult 69,81,91,93,94,95
70.03 1 1xca0 III Rep, Mult 22,24,27,133,135,138,140,154,155,157,159
80.03 1 2x55A C8E Rep, Mult 21,159,161
90.03 1 3fidB CXE Rep, Mult 104,106,132,134,141
100.03 1 1ab00 III Rep, Mult 17,18,40,42,44,52,54,162

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
10.0601u5uA0.5124.210.0560.7504.2.1.9250
20.0601i78A0.7013.300.0390.9023.4.23.49NA
30.0601qwlA0.5334.030.0840.7681.11.1.6NA
40.0602e4jA0.4775.070.0990.8055.3.99.216,40,42,49,132
50.0603dy5A0.5134.190.0560.7441.13.11.40,4.2.1.92NA
60.0601n63B0.4644.630.0300.7561.2.99.2NA
70.0601ye9M0.2465.230.0000.4081.11.1.647,49
80.0603ej6D0.5154.560.0900.7991.11.1.6NA
90.0601rm6A0.4585.000.0570.7741.3.99.20NA
100.0601eulA0.4195.370.0400.6953.6.3.8NA
110.0601qqwB0.5294.060.0920.7621.11.1.6NA
120.0601ye9A0.3964.200.0590.5851.11.1.6NA
130.0603kvnX0.6623.740.0380.9023.1.1.1143
140.0601m7sA0.5374.060.0760.7681.11.1.6NA
150.0603fg3A0.3494.780.0260.5734.2.1.92,1.13.11.40NA
160.0601ye9K0.3964.190.0780.5851.11.1.6NA
170.0601sy7B0.5264.070.0680.7621.11.1.6140
180.0602htaA0.4664.230.0600.6715.1.3.-NA
190.0603ej6A0.5024.770.0820.8171.11.1.6NA

(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
00.710.9720.501.000.982fr2A GO:0006810
10.450.8461.760.290.932fwvA GO:0005886 GO:0006810
20.440.8861.360.370.943wjeB GO:0005737 GO:0005829 GO:0006810
30.410.9031.180.330.953ia8A GO:0003676 GO:0003677 GO:0046872
40.200.5743.170.120.742qm9A GO:0001816 GO:0005215 GO:0005504 GO:0005634 GO:0005654 GO:0005737 GO:0006469 GO:0006810 GO:0008289 GO:0042632 GO:0045892 GO:0050727 GO:0050729 GO:0050872 GO:0050873 GO:0070062 GO:0071285 GO:0071356
50.170.6963.240.060.912vdfA GO:0004190 GO:0006508
60.170.5343.380.070.712a0aA GO:0005215 GO:0006810 GO:0008289
70.160.5452.930.090.702lbaA GO:0005215 GO:0005737 GO:0006810 GO:0008206 GO:0008289 GO:0032052
80.150.5763.250.090.764i3bA GO:0005215 GO:0005737 GO:0006810 GO:0008218 GO:0008289
90.150.5653.090.080.731bwyA GO:0005215 GO:0005615 GO:0005737 GO:0005739 GO:0005759 GO:0006810 GO:0008092 GO:0008289 GO:0036041 GO:0070062 GO:0070538
100.150.5243.580.090.732mo5A GO:0005215 GO:0005504 GO:0005622 GO:0005737 GO:0005829 GO:0006810 GO:0007586 GO:0008289 GO:0019433
110.150.5063.930.100.731b4mA GO:0005215 GO:0005737 GO:0005829 GO:0006776 GO:0006810 GO:0008289 GO:0016918 GO:0019841 GO:0042572
120.150.5703.010.140.731gglA GO:0005215 GO:0005501 GO:0005737 GO:0006810 GO:0008289 GO:0016918 GO:0019841 GO:0070062
130.150.5392.980.120.692jn3A GO:0005215 GO:0005504 GO:0005737 GO:0006810 GO:0008289
140.140.5652.700.100.702ju3A GO:0002230 GO:0003682 GO:0005215 GO:0005324 GO:0005504 GO:0005543 GO:0005634 GO:0005654 GO:0005737 GO:0005782 GO:0005829 GO:0006810 GO:0007067 GO:0008144 GO:0008284 GO:0008289 GO:0015909 GO:0016209 GO:0032000 GO:0032052 GO:0043066 GO:0043154 GO:0043234 GO:0045179 GO:0050892 GO:0051345 GO:0051977 GO:0051978 GO:0070062 GO:0070301 GO:0071456 GO:0098779 GO:0098792 GO:0098869
150.140.5733.020.080.731yivA GO:0005215 GO:0005737 GO:0006810 GO:0008289 GO:0043209 GO:0061024
160.140.5613.370.110.745hzqA GO:0001972 GO:0005215 GO:0005501 GO:0005634 GO:0005654 GO:0005737 GO:0005783 GO:0005829 GO:0006355 GO:0006810 GO:0007165 GO:0008289 GO:0008544 GO:0016918 GO:0019841 GO:0035115 GO:0042573 GO:0048385 GO:0048672 GO:0070062
170.140.5613.060.080.733pptA GO:0005215 GO:0006810 GO:0008289
180.130.5823.080.090.743nr3A GO:0005215 GO:0005504 GO:0005737 GO:0006810 GO:0008289 GO:0015485 GO:0043209 GO:0061024 GO:0070062
190.130.5713.210.150.753elzB GO:0005215 GO:0005737 GO:0006810 GO:0008206 GO:0008289 GO:0032052
200.130.5623.110.100.735ha1A GO:0001523 GO:0002138 GO:0005215 GO:0005501 GO:0005654 GO:0005737 GO:0005829 GO:0006776 GO:0006810 GO:0008289 GO:0016918 GO:0019841
210.130.6703.750.040.911k24A GO:0004190 GO:0006508 GO:0046872
220.120.5613.300.100.733rswA GO:0005215 GO:0005324 GO:0005504 GO:0005615 GO:0005737 GO:0005829 GO:0006631 GO:0006810 GO:0008092 GO:0008285 GO:0008289 GO:0015909 GO:0016528 GO:0019433 GO:0032868 GO:0036041 GO:0042493 GO:0042632 GO:0044539 GO:0046320 GO:0050543 GO:0055091 GO:0070062 GO:0070538 GO:0070542 GO:0071073
230.120.7013.300.040.901i78A GO:0004175 GO:0004190 GO:0004252 GO:0006508 GO:0008233 GO:0009279 GO:0016020 GO:0016021 GO:0016787 GO:0031230
240.110.5384.680.080.912x4mA GO:0004175 GO:0004190 GO:0006508 GO:0007599 GO:0008233 GO:0009279 GO:0016020 GO:0016021 GO:0016787 GO:0042730
250.100.5733.140.090.732f73B GO:0002230 GO:0003682 GO:0005215 GO:0005324 GO:0005504 GO:0005543 GO:0005634 GO:0005654 GO:0005737 GO:0005782 GO:0005829 GO:0006810 GO:0008144 GO:0008284 GO:0008289 GO:0015909 GO:0016209 GO:0019433 GO:0032000 GO:0032052 GO:0043066 GO:0043154 GO:0044255 GO:0045179 GO:0050892 GO:0051345 GO:0070062 GO:0070301 GO:0071456 GO:0098779 GO:0098792 GO:0098869
260.100.6273.630.100.873qq2B GO:0005576 GO:0007155 GO:0009279 GO:0009405 GO:0009986 GO:0016020 GO:0016021 GO:0019867 GO:0042597
270.100.5573.150.070.732fljA GO:0005215 GO:0005737 GO:0006810 GO:0008289
280.090.6643.640.070.893sloA GO:0004175 GO:0004252 GO:0005576 GO:0006508 GO:0008233 GO:0008236 GO:0009279 GO:0009405 GO:0009986 GO:0016020 GO:0016021 GO:0016787 GO:0019867 GO:0042597
290.080.6653.390.060.873aehA GO:0004175 GO:0004252 GO:0005576 GO:0006508 GO:0008233 GO:0008236 GO:0009279 GO:0009405 GO:0009986 GO:0016020 GO:0016021 GO:0016787 GO:0019867 GO:0042597
300.080.5953.280.090.774a60A GO:0001669 GO:0001675 GO:0005215 GO:0005737 GO:0005829 GO:0006810 GO:0008289 GO:0019433
310.080.5813.020.140.741vyfA GO:0005215 GO:0005737 GO:0006810 GO:0008289
320.070.5863.150.090.763p6cA GO:0001816 GO:0005215 GO:0005504 GO:0005634 GO:0005737 GO:0005811 GO:0005829 GO:0006469 GO:0006810 GO:0008289 GO:0019433 GO:0042632 GO:0045892 GO:0050727 GO:0050729 GO:0050872 GO:0050873 GO:0070062 GO:0071285
330.070.5602.630.140.692ft9A GO:0005215 GO:0005504 GO:0005737 GO:0006810 GO:0008289
340.070.5672.680.100.701ealA GO:0005215 GO:0005737 GO:0006810 GO:0006869 GO:0008206 GO:0008289 GO:0016020 GO:0032052
350.070.5752.950.100.731kqwA GO:0005215 GO:0006776 GO:0006810 GO:0008289 GO:0016918
360.070.5552.860.120.702qo5A GO:0005215 GO:0005504 GO:0005737 GO:0006810 GO:0008289 GO:0032052
370.070.5533.430.090.744lktA GO:0005215 GO:0005504 GO:0005654 GO:0005737 GO:0005829 GO:0006006 GO:0006629 GO:0006656 GO:0006810 GO:0008289 GO:0008544 GO:0009611 GO:0015758 GO:0019433 GO:0070062
380.070.5543.230.080.731fdqA GO:0001964 GO:0005215 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0005911 GO:0006810 GO:0007399 GO:0008285 GO:0008289 GO:0019433 GO:0021846 GO:0022008 GO:0042995 GO:0043025 GO:0044297 GO:0050673 GO:0060134 GO:0071944
390.070.6663.520.060.884meeA GO:0005576 GO:0007155 GO:0009279 GO:0009405 GO:0009986 GO:0016020 GO:0016021 GO:0019867 GO:0042597
400.070.5723.040.120.732rcqA GO:0001523 GO:0005215 GO:0005501 GO:0005737 GO:0005829 GO:0006776 GO:0006810 GO:0008289 GO:0008544 GO:0016918 GO:0019841
410.070.5453.110.120.691p6pA GO:0005215 GO:0005504 GO:0005737 GO:0006810 GO:0006869 GO:0008289
420.070.5433.510.090.731cbiA GO:0001972 GO:0005215 GO:0005501 GO:0005737 GO:0005829 GO:0006810 GO:0008289 GO:0016918 GO:0019841 GO:0034653
430.070.5173.690.080.711mdcA GO:0005215 GO:0005737 GO:0006810 GO:0008289
440.070.5193.380.140.692mm3A GO:0005215 GO:0005737 GO:0005829 GO:0006629 GO:0006810 GO:0006869 GO:0008206 GO:0008285 GO:0008289 GO:0015721 GO:0016020 GO:0019433 GO:0032052
450.070.4783.980.080.712n93A GO:0005215 GO:0006810 GO:0008289
460.070.4963.540.080.701aelA GO:0005215 GO:0005324 GO:0005504 GO:0005737 GO:0005886 GO:0005902 GO:0006631 GO:0006810 GO:0008289 GO:0015908 GO:0015909 GO:0045179 GO:0050892
470.070.4014.860.040.674q2hA GO:0016853 GO:0047580
480.060.3705.080.060.634ohqB GO:0003824 GO:0004807 GO:0005739 GO:0005829 GO:0006094 GO:0006096 GO:0006642 GO:0008152 GO:0009507 GO:0009536 GO:0009570 GO:0009579 GO:0009658 GO:0009941 GO:0016853 GO:0019253 GO:0019563 GO:0032504 GO:0046166 GO:0048046 GO:0080022
490.060.3594.420.050.541l8kA GO:0004721 GO:0004725 GO:0004726 GO:0005178 GO:0005634 GO:0005654 GO:0005737 GO:0005783 GO:0005793 GO:0005886 GO:0006470 GO:0008285 GO:0008286 GO:0010804 GO:0010888 GO:0016020 GO:0016311 GO:0016787 GO:0016791 GO:0019901 GO:0019905 GO:0030183 GO:0030217 GO:0030218 GO:0030971 GO:0035335 GO:0042059 GO:0042512 GO:0042518 GO:0042524 GO:0042527 GO:0042593 GO:0045650 GO:0045722 GO:0046627 GO:0050728 GO:0050860 GO:0050922 GO:0060334 GO:0060336 GO:0060339 GO:0061099 GO:0070104 GO:0070373 GO:1902202 GO:1902206 GO:1902212 GO:1902215 GO:1902227 GO:1902233 GO:1902237 GO:1903899 GO:2000587
500.060.3645.290.060.643e74B GO:0000256 GO:0004038 GO:0005737 GO:0006144 GO:0008270 GO:0009442 GO:0016787 GO:0016810 GO:0046872 GO:0050897
510.060.3605.480.090.663opnA GO:0003723 GO:0008168 GO:0032259
520.060.3475.980.040.701wxrA GO:0004175 GO:0004252 GO:0005576 GO:0006508 GO:0008233 GO:0008236 GO:0009279 GO:0009405 GO:0009986 GO:0016020 GO:0016021 GO:0016787 GO:0019867 GO:0042597
530.060.3405.910.060.683ak5A GO:0004175 GO:0004252 GO:0005576 GO:0006508 GO:0008233 GO:0008236 GO:0009279 GO:0009405 GO:0009986 GO:0016020 GO:0016021 GO:0016787 GO:0019867 GO:0042597


Consensus prediction of GO terms
 
Molecular Function GO:0003677 GO:0046872 GO:0033293
GO-Score 0.41 0.41 0.40
Biological Processes GO:0006810 GO:0033673 GO:0055092 GO:0001933 GO:0044707 GO:0071345 GO:1903507 GO:0010629 GO:0045859 GO:0006954 GO:0006355 GO:2000113 GO:0071248 GO:0031349 GO:0045444 GO:0034612 GO:0032103 GO:0010226
GO-Score 0.93 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40
Cellular Component GO:0005886 GO:0005829 GO:0031988 GO:1903561 GO:0031981
GO-Score 0.46 0.44 0.40 0.40 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.