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I-TASSER results for job id Rv1978

[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
10.57 30 4iwnA GEK Rep, Mult 53,63,86,88,91,109,110,111,114,134,135,136,152,153,157,158,213
20.03 2 1d2hA SAH Rep, Mult 109,110,114,134,135,136,154,157
30.02 1 1yz30 III Rep, Mult 65,68,183,226,227,247,248

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
10.1473e05D0.5132.700.0970.5852.1.1.13253,87
20.1422iftA0.4602.600.1230.5252.1.1.5287,97
30.0701wznA0.5853.260.1330.6952.1.1.-155
40.0692pxxA0.5563.410.1640.6633.4.24.7190
50.0673e05B0.5102.570.0970.5782.1.1.132NA
60.0671xcjA0.5673.230.0880.6812.1.1.2NA
70.0672a14A0.5923.340.0940.7062.1.1.4986,88,154
80.0672cl5A0.5233.240.1140.6212.1.1.691
90.0673bwmA0.5233.280.1360.6212.1.1.6NA
100.0673grzB0.5072.560.0780.5712.1.1.-NA
110.0671nt2A0.4972.880.0920.5752.1.1.-NA
120.0671f38A0.4972.810.1420.5752.1.1.-NA
130.0671xxlA0.5472.920.1600.6242.1.1.-156
140.0663cbgA0.5113.400.1250.6102.1.1.-NA
150.0601tw2B0.6173.830.1380.7622.1.1.-NA
160.0602h11B0.5563.670.0670.6812.1.1.6785
170.0602qyoA0.5324.310.1500.6812.1.1.46156
180.0601kpiA0.5804.470.1430.7592.1.1.79241
190.0602vdwG0.5823.620.1040.7062.7.7.50NA
200.0602aovA0.5614.170.1130.6992.1.1.8NA
210.0602pjdA0.5493.640.1110.6672.1.1.52NA
220.0603g5tA0.5733.820.0980.7092.1.1.145110
230.0601p91A0.5383.360.0860.6312.1.1.5170
240.0603hnrA0.5693.100.1640.6672.1.1.-156
250.0602fk8A0.5554.350.1130.7092.1.1.-NA
260.0601bhjA0.6114.220.1270.7692.1.1.20270
270.0603lccA0.5603.550.0940.6772.1.1.-54,86
280.0601ri1A0.5633.940.1110.6952.1.1.5686,109
290.0601fp1D0.5583.670.0960.6812.1.1.-156
300.0602o06A0.5394.120.0730.6812.5.1.1686,88,158
310.0602ex4A0.5913.620.1250.7202.1.1.-NA
320.0603bgdA0.5563.690.0970.6812.1.1.67NA
330.0603ftfA0.5353.480.1240.6522.1.1.-86

(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
00.270.6593.790.140.814krgA GO:0008152 GO:0008168 GO:0032259
10.270.5332.720.140.614qtuB GO:0000056 GO:0000447 GO:0005634 GO:0005730 GO:0005737 GO:0006364 GO:0008152 GO:0008168 GO:0008757 GO:0016435 GO:0016740 GO:0032259 GO:0070476
20.250.5482.910.130.621vl5A GO:0008152 GO:0008168 GO:0016740 GO:0032259
30.230.5693.460.120.693mggB GO:0008168 GO:0016740 GO:0032259
40.230.4772.710.110.545bxyA GO:0008168 GO:0032259
50.220.5853.260.130.691wznA
60.220.5223.030.180.613ccfB GO:0008152 GO:0008168 GO:0016740 GO:0030798 GO:0032259
70.210.4862.530.160.553hm2A GO:0006479 GO:0008152 GO:0008168 GO:0008276 GO:0009236 GO:0016740 GO:0032259
80.200.4932.930.130.573gdhA GO:0000387 GO:0001510 GO:0005615 GO:0005634 GO:0005654 GO:0005730 GO:0005737 GO:0005829 GO:0006351 GO:0006355 GO:0008168 GO:0008173 GO:0009452 GO:0015030 GO:0016740 GO:0022613 GO:0030532 GO:0032259 GO:0036261 GO:0044255 GO:0071164 GO:0071167
90.200.5683.760.090.703f4kA GO:0005737 GO:0008168 GO:0008757 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
100.200.5964.010.130.744krhA GO:0008152 GO:0008168 GO:0032259 GO:0046872 GO:0051536 GO:0051539
110.200.7201.450.100.764obwC GO:0005739 GO:0005743 GO:0005759 GO:0006744 GO:0008168 GO:0009060 GO:0016020 GO:0016740 GO:0031314 GO:0032259 GO:0043334 GO:0102005
120.200.5582.900.150.643sm3A GO:0008152 GO:0008168 GO:0016740 GO:0032259 GO:0046872
130.190.5893.740.110.724kifB GO:0008168 GO:0016740 GO:0017000 GO:0032259
140.180.6043.380.130.724pneB GO:0008152 GO:0008168 GO:0016740 GO:0032259
150.180.5482.890.160.622gluA GO:0005737 GO:0008152 GO:0008168 GO:0008757 GO:0016740 GO:0032259
160.180.5413.930.140.685bp7A GO:0005737 GO:0008168 GO:0008757 GO:0016740 GO:0032259
170.180.6053.020.140.703d2lC GO:0008168 GO:0016740 GO:0032259
180.170.5943.100.140.691x19A GO:0008168 GO:0008171 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
190.170.6213.190.130.725egpA GO:0008168 GO:0016740 GO:0032259
200.170.4972.810.140.571f38A GO:0006479 GO:0008168 GO:0008276 GO:0009236 GO:0016740 GO:0032259 GO:0046140
210.170.6084.140.110.771qzzA GO:0008168 GO:0008171 GO:0016829 GO:0016831 GO:0017000 GO:0032259
220.170.5793.040.120.682zfuA GO:0000183 GO:0005634 GO:0005654 GO:0005677 GO:0005730 GO:0005737 GO:0005886 GO:0006351 GO:0006355 GO:0006364 GO:0008168 GO:0008757 GO:0016568 GO:0016740 GO:0032259 GO:0033553 GO:0035064 GO:0042149 GO:0044822 GO:0046015 GO:0071158 GO:0072332
230.170.6173.830.140.761tw2B GO:0008168 GO:0008171 GO:0016740 GO:0017000 GO:0032259 GO:1901771
240.170.5963.410.110.711ve3B GO:0046872 GO:0051536 GO:0051539
250.160.5253.260.130.624xucA GO:0000287 GO:0005737 GO:0005739 GO:0005829 GO:0005886 GO:0006584 GO:0007565 GO:0007612 GO:0007614 GO:0008168 GO:0008171 GO:0008210 GO:0009712 GO:0014070 GO:0016020 GO:0016021 GO:0016036 GO:0016206 GO:0016740 GO:0030424 GO:0030425 GO:0032259 GO:0032496 GO:0032502 GO:0035814 GO:0042135 GO:0042417 GO:0042420 GO:0042493 GO:0043197 GO:0044297 GO:0045211 GO:0045963 GO:0046872 GO:0048265 GO:0048609 GO:0048662 GO:0050668 GO:0051930 GO:0070062
260.160.4852.580.110.553njrA GO:0006479 GO:0008152 GO:0008168 GO:0008276 GO:0009236 GO:0016740 GO:0032259 GO:0046025
270.160.6134.170.120.774qvgC GO:0008168 GO:0008171 GO:0032259
280.150.5923.920.120.731xtpA GO:0005737 GO:0006480 GO:0008168
290.150.5954.030.120.744ineA GO:0000773 GO:0005737 GO:0006656 GO:0008152 GO:0008168 GO:0016740 GO:0032259 GO:0080101
300.150.5693.980.100.713kkzA GO:0046872 GO:0051536 GO:0051539
310.150.4743.530.120.574rx1A GO:0008168 GO:0016740 GO:0032259
320.140.5753.300.120.684qdkA GO:0005737 GO:0008168 GO:0008757 GO:0015979 GO:0015995 GO:0016740 GO:0032259 GO:0036068 GO:0046406
330.130.5282.810.080.603lpmA GO:0008168 GO:0032259
340.130.4783.570.120.573g07A GO:0000122 GO:0001510 GO:0008168 GO:0008173 GO:0008757 GO:0016073 GO:0016740 GO:0032259 GO:0035562 GO:0040031 GO:0044822 GO:1900087
350.120.5903.570.120.725cvdA GO:0005634 GO:0005654 GO:0005737 GO:0006480 GO:0007051 GO:0007059 GO:0008168 GO:0008276 GO:0016740 GO:0018011 GO:0018012 GO:0018016 GO:0032259 GO:0035572 GO:0035573 GO:0071885
360.120.5383.550.100.653h2bB GO:0008168 GO:0016740 GO:0032259
370.070.6053.110.090.711y8cA GO:0008168 GO:0016740 GO:0032259
380.070.5824.100.130.754eviA GO:0008168 GO:0008171 GO:0016740 GO:0032259 GO:0046983
390.070.5963.950.080.733vc1D GO:0008152 GO:0008168 GO:0008169 GO:0008757 GO:0016740 GO:0032259 GO:0042214
400.070.5953.930.080.734f86A GO:0008168 GO:0008169 GO:0008757 GO:0016740 GO:0032259 GO:0042214
410.070.5923.990.110.734mwzB GO:0008168 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
420.070.5813.350.140.692ip2A GO:0008168 GO:0008171 GO:0008757 GO:0016740 GO:0019438 GO:0032259


Consensus prediction of GO terms
 
Molecular Function GO:0008649
GO-Score 0.53
Biological Processes GO:0000466 GO:0000479 GO:0036265 GO:0070475 GO:0000054 GO:0000462
GO-Score 0.53 0.53 0.53 0.53 0.53 0.53
Cellular Component GO:0043232 GO:0031981
GO-Score 0.53 0.53

(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.