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I-TASSER results for job id Rv1732c

[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
10.13 2 4grfA GSH Rep, Mult 6,8,9,116,135
20.10 2 1i5gA TS5 Rep, Mult 46,47,49,118,119,120
30.05 1 3lorB CA Rep, Mult 16,17,18
40.05 1 3lwaA CA Rep, Mult 21,22,28,102,103
50.05 1 1gfzA CFF Rep, Mult 45,77,82
60.05 1 3gknB BIH Rep, Mult 22,23,70,100,101,102
70.05 1 3hdc0 III Rep, Mult 46,48,49,76,112,118,119,120,125,134
80.05 1 2p5q0 III Rep, Mult 56,118,135,153,156,157

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
10.2061xvwB0.6752.360.2300.7801.11.1.1551
20.1843cynC0.6472.920.1470.7861.11.1.9115,161
30.1782fy6A0.6083.130.1300.7581.8.4.11,1.8.4.1229
40.1321zofH0.6643.000.1740.8081.11.1.15NA
50.1221cqgA0.4572.560.1810.5381.8.4.10120
60.0972vl3A0.6212.920.1340.7531.11.1.1577
70.0922p31A0.6512.650.1900.7691.11.1.999
80.0671uvzA0.4742.170.1310.5441.8.1.8NA
90.0671aiuA0.4702.240.1920.5331.8.4.10NA
100.0672vimA0.4682.430.1440.5381.8.4.8NA
110.0671nswA0.4682.320.1460.5441.8.1.9NA
120.0672dj2A0.4713.130.1270.5825.3.4.1NA
130.0671dbyA0.4582.450.1430.5441.8.4.10NA
140.0671syrA0.4532.640.0880.5381.8.1.8NA
150.0661x5cA0.4712.730.1210.5665.3.4.1NA
160.0661t00A0.4672.560.1000.5551.8.1.8NA
170.0602azdB0.5275.220.0700.8852.4.1.1NA
180.0601n8jT0.6882.700.1540.8131.11.1.1558,140,160
190.0601ahpA0.5335.100.0520.8792.4.1.1NA
200.0601prxA0.6642.770.1700.7971.11.1.7,1.11.1.15139,160
210.0601pn0C0.6063.030.1180.7751.14.13.7NA
220.0603cmiA0.5683.060.1590.6921.11.1.15NA
230.0602rm5A0.5952.970.1450.7361.11.1.9181
240.0602i3yA0.6432.790.1130.7801.11.1.999
250.0601fa9A0.5235.110.0690.8682.4.1.1NA
260.0601ygpA0.5345.190.0610.8682.4.1.131
270.0602gs3A0.6442.760.1320.7691.11.1.1284,181
280.0602qllA0.5265.150.0690.8742.4.1.1NA
290.0601e1yA0.5334.840.0950.8522.4.1.1NA
300.0602wgrA0.6512.770.1510.7801.11.1.977
310.0602v1mA0.6562.880.1510.7861.11.1.984
320.0602bmxB0.6692.820.1990.7971.11.1.1550,85,101
330.0601zyeK0.6692.660.1640.7911.11.1.1578
340.0602r37A0.6422.870.0780.7861.11.1.999
350.0602pn8A0.6732.890.1300.8131.11.1.1550

(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
00.570.9780.780.541.002ywiA GO:0016209 GO:0016491 GO:0055114 GO:0098869
10.490.8851.810.410.962ywoA GO:0016209 GO:0016491 GO:0016853 GO:0055114 GO:0098869
20.490.9740.670.490.993u5rF GO:0016209 GO:0016491 GO:0055114 GO:0098869
30.410.6922.020.180.773gl3A GO:0016491 GO:0055114
40.400.6752.360.230.781xvwB GO:0004601 GO:0005829 GO:0016209 GO:0016491 GO:0051409 GO:0051920 GO:0052060 GO:0055114 GO:0098869
50.390.6692.530.170.793kh7A GO:0005886 GO:0015036 GO:0016020 GO:0016021 GO:0016491 GO:0017004 GO:0030288 GO:0045454 GO:0055114
60.370.6671.870.260.743or5A GO:0005623 GO:0016491 GO:0045454 GO:0055114
70.370.7112.490.180.832ls5A GO:0016491 GO:0055114
80.360.6552.400.210.765enuA GO:0016209 GO:0016491 GO:0055114 GO:0098869
90.350.6383.330.110.823kebA GO:0004601 GO:0016491 GO:0055114 GO:0098869
100.350.6792.140.200.774hqzB GO:0016209 GO:0016491 GO:0055114 GO:0098869
110.330.6661.980.190.753c71A GO:0005886 GO:0015036 GO:0016020 GO:0016021 GO:0016209 GO:0016491 GO:0017004 GO:0045454 GO:0055114 GO:0098869
120.330.6772.370.170.773hjpA GO:0016209 GO:0016491 GO:0055114 GO:0098869
130.330.6712.420.180.772lrnA GO:0004601 GO:0016209 GO:0016491 GO:0051920 GO:0055114 GO:0098869
140.330.6752.100.150.764nmuA GO:0005886 GO:0015036 GO:0016020 GO:0016021 GO:0016209 GO:0016491 GO:0017004 GO:0045454 GO:0055114 GO:0098869
150.330.6743.040.170.821qmvA GO:0000302 GO:0004601 GO:0005737 GO:0005829 GO:0006979 GO:0008379 GO:0016209 GO:0016491 GO:0019430 GO:0034599 GO:0042744 GO:0042981 GO:0043066 GO:0043524 GO:0051920 GO:0055114 GO:0070062
160.320.6972.190.190.802b5xA GO:0000103 GO:0005737 GO:0006457 GO:0015035 GO:0016209 GO:0016491 GO:0016671 GO:0034599 GO:0045454 GO:0055114 GO:0098869
170.320.6242.850.230.734g2eA GO:0004601 GO:0016209 GO:0016491 GO:0051920 GO:0055114 GO:0098869
180.320.6552.210.220.741kngA GO:0015036 GO:0016491 GO:0017004 GO:0030288 GO:0042597 GO:0045454 GO:0055114
190.310.6542.270.230.753kcmD GO:0005623 GO:0016209 GO:0016491 GO:0045454 GO:0055114 GO:0098869
200.310.6072.350.160.713razA GO:0005623 GO:0016491 GO:0045454 GO:0055114
210.300.6431.960.200.723iosA GO:0005623 GO:0016209 GO:0016491 GO:0016972 GO:0045454 GO:0055114 GO:0098869
220.290.6052.730.120.733erwA GO:0016020 GO:0016209 GO:0016491 GO:0030435 GO:0043594 GO:0045454 GO:0055114 GO:0098869
230.290.6472.190.180.731lu4A GO:0003756 GO:0005576 GO:0005623 GO:0015035 GO:0016209 GO:0016491 GO:0045454 GO:0055114 GO:0098869
240.280.6802.540.170.803lorA GO:0016209 GO:0016491 GO:0016853 GO:0046872 GO:0055114 GO:0098869
250.280.6742.090.150.763fw2A
260.270.6362.350.220.743ia1A GO:0016209 GO:0016491 GO:0016853 GO:0055114 GO:0098869
270.270.6722.380.180.783k8nA GO:0005886 GO:0015036 GO:0016020 GO:0016021 GO:0016491 GO:0017004 GO:0030288 GO:0031237 GO:0045454 GO:0055114
280.260.6412.380.130.754evmA GO:0016209 GO:0016491 GO:0055114 GO:0098869
290.250.6581.910.180.743fkfA
300.250.6222.560.150.742ljaA GO:0016491 GO:0055114
310.250.6642.040.130.764ka0A GO:0016491 GO:0055114
320.240.6582.110.170.752l5oA GO:0016491 GO:0055114
330.240.6812.350.210.774pq1B GO:0016209 GO:0016491 GO:0055114 GO:0098869
340.240.6552.510.130.763hczA GO:0016209 GO:0016491 GO:0016853 GO:0055114 GO:0098869
350.220.6163.060.100.772h30A GO:0003824 GO:0006979 GO:0008113 GO:0008152 GO:0016491 GO:0016671 GO:0030091 GO:0033743 GO:0055114
360.220.6093.170.210.772m72A GO:0016209 GO:0016491 GO:0055114 GO:0098869
370.220.6992.250.170.793lwaA GO:0016209 GO:0016491 GO:0016853 GO:0055114 GO:0098869
380.220.5803.210.160.743e0uA GO:0004601 GO:0004602 GO:0006979 GO:0016491 GO:0055114 GO:0098869
390.220.5773.090.150.731o73A GO:0005623 GO:0045454 GO:0055114
400.200.6712.560.200.793ixrA GO:0016209 GO:0016491 GO:0055114 GO:0098869
410.200.6503.070.150.804txoE GO:0000103 GO:0005737 GO:0005886 GO:0006457 GO:0015035 GO:0016020 GO:0016021 GO:0016491 GO:0016671 GO:0017004 GO:0034599 GO:0045454 GO:0055114
420.200.4672.090.130.532f51A GO:0000103 GO:0005737 GO:0006457 GO:0006662 GO:0015035 GO:0016671 GO:0034599 GO:0045454 GO:0055114
430.190.4842.240.170.552e0qA GO:0005623 GO:0006662 GO:0015035 GO:0045454 GO:0055114
440.190.6592.870.160.804kw6A GO:0016209 GO:0016491 GO:0051920 GO:0055114 GO:0098869
450.190.6662.920.150.812v2gA GO:0016209 GO:0016491 GO:0051920 GO:0055114 GO:0098869
460.190.4802.360.140.541xwaA GO:0000103 GO:0005634 GO:0005739 GO:0006457 GO:0006662 GO:0006974 GO:0006979 GO:0008340 GO:0015035 GO:0015036 GO:0016671 GO:0034599 GO:0045454 GO:0050832 GO:0055114
470.180.6292.460.130.733ha9A GO:0016209 GO:0016491 GO:0055114 GO:0098869
480.180.6592.020.230.743hdcA GO:0005623 GO:0016209 GO:0016491 GO:0045454 GO:0055114 GO:0098869
490.180.4722.250.180.543hhvA GO:0000103 GO:0005737 GO:0006457 GO:0006662 GO:0015035 GO:0016671 GO:0034599 GO:0045454 GO:0055114
500.180.5952.970.140.742rm5A GO:0004601 GO:0004602 GO:0006979 GO:0016491 GO:0055114 GO:0098869
510.170.5953.110.160.741on4A GO:0005886 GO:0016020 GO:0046872
520.170.4752.450.170.551ep7A GO:0005737 GO:0045454 GO:0055114
530.160.4632.450.150.544pobA GO:0005623 GO:0006662 GO:0015035 GO:0045454 GO:0055114
540.160.4893.080.060.612dj3A GO:0003756 GO:0005783 GO:0005788 GO:0006457 GO:0009986 GO:0016853 GO:0034663 GO:0034976 GO:0042470 GO:0044822 GO:0045454 GO:0061077
550.160.4682.430.140.542vimA GO:0005623 GO:0006662 GO:0015035 GO:0045454 GO:0055114
560.160.4752.240.140.544xhmA GO:0005623 GO:0006662 GO:0015035 GO:0045454 GO:0055114
570.150.4832.150.120.542cvkA GO:0005623 GO:0006662 GO:0015035 GO:0045454 GO:0055114
580.150.4682.320.150.541nswA GO:0005623 GO:0006662 GO:0015035 GO:0045454 GO:0055114
590.150.6802.910.130.825dvbA GO:0004601 GO:0005737 GO:0006457 GO:0008379 GO:0016209 GO:0016491 GO:0034599 GO:0045454 GO:0051920 GO:0055114 GO:0098869
600.150.4832.100.090.542pukC GO:0006662 GO:0009507 GO:0009536 GO:0015035 GO:0045454 GO:0055114
610.150.4712.580.150.552vocA GO:0000103 GO:0005737 GO:0006457 GO:0006662 GO:0015035 GO:0016671 GO:0034599 GO:0045454 GO:0055114
620.140.5713.110.110.713s9fA GO:0005739 GO:0005829 GO:0042744
630.140.4922.720.120.583d22A GO:0005737 GO:0006662 GO:0015035 GO:0045454 GO:0055114
640.140.4612.280.150.534aj6A GO:0005623 GO:0006662 GO:0015035 GO:0045454 GO:0055114
650.140.4841.850.140.533tcoA GO:0000103 GO:0005737 GO:0006457 GO:0006662 GO:0015035 GO:0016671 GO:0034599 GO:0045454 GO:0055114
660.140.4553.210.080.581wmjA GO:0000103 GO:0004857 GO:0005737 GO:0005829 GO:0005886 GO:0006457 GO:0006662 GO:0006979 GO:0009409 GO:0010497 GO:0015035 GO:0016671 GO:0034599 GO:0043086 GO:0045454 GO:0055114
670.140.5943.200.130.761o81A
680.130.4672.560.100.551t00A GO:0000103 GO:0005737 GO:0006457 GO:0006662 GO:0015035 GO:0016671 GO:0034599 GO:0045454 GO:0055114
690.130.4652.280.130.532xc2A GO:0000103 GO:0005737 GO:0006457 GO:0006662 GO:0015035 GO:0016671 GO:0034599 GO:0045454 GO:0046872 GO:0055114
700.130.4732.260.100.541thxA GO:0005623 GO:0006662 GO:0015035 GO:0045454 GO:0055114
710.130.4602.260.120.532oe0A GO:0000103 GO:0005739 GO:0006457 GO:0006662 GO:0015035 GO:0015036 GO:0016671 GO:0034599 GO:0045454 GO:0055114
720.130.4572.540.140.544wxtA GO:0005623 GO:0006662 GO:0015035 GO:0045454 GO:0055114
730.120.4702.150.110.534cw9B GO:0005623 GO:0006662 GO:0015035 GO:0045454 GO:0055114
740.120.7292.940.130.865cyyA GO:0005886 GO:0016020 GO:0016021 GO:0016209 GO:0016491 GO:0017004 GO:0055114 GO:0098869
750.110.4652.420.170.541m7tA GO:0000103 GO:0005829 GO:0006457 GO:0006662 GO:0015035 GO:0016032 GO:0016671 GO:0034599 GO:0045454 GO:0055114
760.110.4772.100.150.544kndA GO:0005623 GO:0006662 GO:0015035 GO:0045454 GO:0055114
770.100.6522.650.200.773gknA GO:0016209 GO:0016491 GO:0055114 GO:0098869
780.100.4582.450.140.541dbyA GO:0006662 GO:0009507 GO:0009536 GO:0015035 GO:0045454 GO:0055114
790.100.4652.290.110.542i4aA
800.100.4572.470.140.551ti3A GO:0005623 GO:0006662 GO:0015035 GO:0045454 GO:0055114
810.090.6643.000.170.811zofB GO:0004601 GO:0016209 GO:0016491 GO:0051920 GO:0055114 GO:0098869
820.090.4672.560.110.552j23A GO:0005623 GO:0006662 GO:0015035 GO:0045454 GO:0055114
830.090.6472.920.150.793cynC GO:0000302 GO:0004601 GO:0004602 GO:0005788 GO:0006979 GO:0016020 GO:0016021 GO:0016491 GO:0055114 GO:0098869
840.080.4552.290.070.533vfiA GO:0006662 GO:0015035 GO:0045454 GO:0055114
850.070.6803.000.140.832z9sA GO:0004601 GO:0005719 GO:0005730 GO:0005737 GO:0005759 GO:0005782 GO:0005829 GO:0006979 GO:0016209 GO:0016491 GO:0020037 GO:0042470 GO:0042803 GO:0051920 GO:0055114 GO:0098869
860.070.5843.140.100.731ezkA
870.070.4622.300.130.533f3qA GO:0000011 GO:0000103 GO:0000139 GO:0000324 GO:0005634 GO:0005737 GO:0005739 GO:0005758 GO:0005794 GO:0005829 GO:0006457 GO:0006662 GO:0006888 GO:0006890 GO:0009263 GO:0015031 GO:0015035 GO:0015036 GO:0016020 GO:0016671 GO:0034599 GO:0042144 GO:0045454 GO:0055114 GO:0080058


Consensus prediction of GO terms		 
Molecular Function GO:0016853 GO:0004601 GO:0051920
GO-Score 0.49 0.40 0.40
Biological Processes GO:0055114 GO:0098869 GO:0051409 GO:0052060
GO-Score 0.96 0.93 0.40 0.40
Cellular Component GO:0005829
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.