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I-TASSER results for job id Rv2160A

[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
10.19 12 3locA URA Rep, Mult 65,68,69,93,107,166,170
20.11 6 1jt0D QNA Rep, Mult 9,10,40,41,42,43,44,45,48,49
30.08 4 1jt0A QNA Rep, Mult 31,32,43,47,52,53
40.04 3 3anpA DCC Rep, Mult 175,179,183,184,187
50.04 3 2uxiB G50 Rep, Mult 72,75,76,86,89,93,135,139,142,166,169,173
60.03 2 3lsrA QNA Rep, Mult 31,32,33,37,43,44,47
70.03 2 3p9tA TCL Rep, Mult 61,65,68,96,104,107
80.01 1 2np5C NDS Rep, Mult 17,18,20
90.01 1 3angB DCC Rep, Mult 179,183,187,188,191,195
100.01 1 2uxiB G50 Rep, Mult 64,107,128,132,170
110.01 1 3btjB DEQ Rep, Mult 11,14,49,50
120.01 1 2id3B CA Rep, Mult 34,38

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
10.0602d0tB0.4635.370.0480.7821.13.11.5212,48
20.0601zyzA0.4375.090.0730.6971.17.4.1NA
30.0601p7cB0.4185.020.0610.6492.7.1.2129
40.0602oniA0.4244.610.0640.6496.3.2.-NA
50.0601g0dA0.4215.830.0690.7252.3.2.13NA
60.0601orvA0.4155.900.0370.7013.4.14.5NA
70.0602qtcB0.4275.770.0340.7201.2.4.1109
80.0601bf2A0.4445.210.0800.7353.2.1.68NA
90.0601y7910.4275.220.0950.6733.4.15.5NA
100.0601tiwA0.3386.110.0740.6351.5.1.12,1.5.99.888,139,200
110.0601r9mB0.4155.700.0330.7113.4.14.5NA
120.0601m7xB0.4385.300.0870.7162.4.1.1862
130.0601k87A0.4645.700.0490.8201.5.99.888,139,200
140.0601jagA0.4164.500.0290.6112.7.1.113143
150.0603gm8A0.4185.740.0270.7203.2.1.-NA
160.0603k1dA0.4375.300.0810.7012.4.1.18NA
170.0601xmeA0.4265.280.0410.6821.9.3.1NA
180.0603fn9C0.4216.010.0510.7633.2.1.23NA
190.0601c4zA0.4304.490.0550.6266.3.2.1934

(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
00.400.6203.660.170.812zozB GO:0003677 GO:0006351 GO:0006355
10.390.7352.810.170.883vprA GO:0003677 GO:0006351 GO:0006355 GO:0042802
20.360.7293.300.130.933bcgA GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0008144 GO:0042493 GO:0043565 GO:0045892
30.350.7062.950.170.893dewA GO:0003677 GO:0006351 GO:0006355 GO:0016020 GO:0016021
40.340.7013.530.140.913vibC GO:0003677 GO:0006351 GO:0006355
50.340.6193.960.130.894l62A GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355
60.330.5744.080.130.792np3B GO:0003677 GO:0006351 GO:0006355
70.330.6793.430.140.893ppbA GO:0003677 GO:0006351 GO:0006355
80.330.7302.850.140.893pasB GO:0003677 GO:0006351 GO:0006355
90.320.8572.010.150.954jykA GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0045892 GO:0045893
100.310.6643.470.180.894pxiB GO:0003677 GO:0006351 GO:0006355
110.310.6723.320.120.863f1bA GO:0003677 GO:0006351 GO:0006355
120.300.6373.680.110.883on4A GO:0003677 GO:0006351 GO:0006355
130.300.7433.190.120.933lhqA GO:0003677 GO:0003700 GO:0006351 GO:0006355
140.300.6683.680.140.893on2B GO:0003677 GO:0006351 GO:0006355
150.290.5314.300.180.772qwtA GO:0003677 GO:0006351 GO:0006355
160.290.7293.170.120.912id6A GO:0003677 GO:0006351 GO:0006355
170.290.7233.030.110.904w97A GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0010468 GO:0019217
180.280.6363.720.130.894yzeA GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0045892
190.280.6953.270.110.894me9A GO:0003677 GO:0006351 GO:0006355
200.280.7302.770.150.892genA GO:0003677 GO:0003700 GO:0006351 GO:0006355
210.270.7612.540.120.903s5rA GO:0003677 GO:0006351 GO:0006355
220.270.5904.310.070.863f0cA GO:0003677 GO:0006351 GO:0006355
230.270.6993.320.130.894g12A GO:0003677 GO:0006351 GO:0006355
240.270.6174.300.100.891rktA GO:0003677 GO:0006351 GO:0006355
250.270.6962.950.110.863ccyA GO:0003677 GO:0006351 GO:0006355
260.260.7173.150.120.893e7qB GO:0003677 GO:0003700 GO:0006351 GO:0006355
270.260.6373.750.140.882g3bA GO:0003677 GO:0006351 GO:0006355
280.250.6663.570.110.904ichA GO:0003677 GO:0006351 GO:0006355
290.250.6903.330.070.893lwjA GO:0003677 GO:0006351 GO:0006355
300.240.6883.310.130.892ibdA GO:0003677 GO:0006351 GO:0006355
310.240.7413.100.160.943npiA GO:0003677 GO:0006351 GO:0006355
320.230.6883.220.100.893whcA GO:0003677 GO:0005737 GO:0006351 GO:0006355 GO:0006629 GO:0006631 GO:0016042
330.220.7103.420.110.922qtqA GO:0003677 GO:0006351 GO:0006355
340.220.5744.310.120.824cgrA GO:0003677 GO:0006351 GO:0006355
350.220.6473.650.180.883he0C GO:0003677 GO:0006351 GO:0006355
360.220.6903.050.100.883kz9B GO:0003677 GO:0006351 GO:0006355
370.210.7192.490.110.832pz9A GO:0003677 GO:0003700 GO:0006351 GO:0006355
380.210.5423.720.140.763egqA GO:0003677 GO:0006351 GO:0006355
390.210.6683.280.110.872zcnD GO:0003677 GO:0006351 GO:0006355
400.210.6733.370.120.884gctC GO:0000976 GO:0003677 GO:0003700 GO:0005737 GO:0005829 GO:0006355 GO:0007049 GO:0009295 GO:0010974 GO:0043565 GO:0043590 GO:0051301 GO:0051302
410.210.6773.270.150.854mxmA GO:0003677 GO:0006351 GO:0006355
420.210.5764.530.090.842y31A GO:0003677 GO:0006351 GO:0006355 GO:0045892
430.210.5984.650.160.874nn1A GO:0003677 GO:0003700 GO:0006351 GO:0006355
440.200.5144.430.100.743b81A GO:0003677 GO:0006351 GO:0006355
450.200.6253.140.060.803vp5A GO:0003677 GO:0006351 GO:0006355 GO:0046872
460.200.6373.730.130.893mvpA GO:0003677 GO:0006351 GO:0006355
470.200.5414.510.090.803bjbB GO:0003677 GO:0006351 GO:0006355
480.200.6763.910.100.923nrgA GO:0003677 GO:0003700 GO:0006351 GO:0006355
490.200.5364.520.150.793vuqC GO:0003677 GO:0006351 GO:0006355
500.190.6564.120.120.953gziA GO:0003677 GO:0006351 GO:0006355
510.190.6014.090.110.872hkuA GO:0003677 GO:0006351 GO:0006355
520.180.6693.340.150.863cdlB GO:0003677 GO:0006351 GO:0006355
530.180.5854.390.100.843vvxA GO:0003677 GO:0006351 GO:0006355
540.180.6573.470.100.893geuA GO:0003677 GO:0006351 GO:0006355
550.170.5374.460.160.812q24B GO:0003677 GO:0006351 GO:0006355
560.170.6413.300.120.833dcfA GO:0003677 GO:0006351 GO:0006355
570.170.7332.830.140.905h9tH GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0051051
580.170.7053.110.080.902pbxA
590.170.6833.210.100.885f1jA GO:0003677 GO:0006351 GO:0006355
600.160.5824.480.130.872rasB GO:0003677 GO:0006351 GO:0006355
610.160.6014.280.090.872oerB GO:0003677 GO:0006351 GO:0006355
620.160.6293.680.110.845dy0A GO:0003677 GO:0006351 GO:0006355
630.150.5694.340.060.832fq4A GO:0003677 GO:0006351 GO:0006355
640.150.5304.680.090.802of7A GO:0003677 GO:0006351 GO:0006355
650.140.7662.890.120.931t33A GO:0003677 GO:0003700 GO:0006351 GO:0006355
660.140.6023.690.090.822qkoB GO:0003677 GO:0006351 GO:0006355
670.130.5974.190.050.853angC GO:0003677 GO:0006351 GO:0006355
680.120.7412.960.120.912uxhA GO:0003677 GO:0006351 GO:0006355
690.120.6672.840.170.812eh3A GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0046872
700.110.6393.470.130.863knwA GO:0003677 GO:0006351 GO:0006355
710.110.6903.300.260.902hyjA GO:0003677 GO:0003700 GO:0006351 GO:0006355
720.110.6543.250.160.832guhA GO:0003677 GO:0006351 GO:0006355
730.110.5814.100.120.833htaA GO:0003677 GO:0006351 GO:0006355
740.100.6873.440.110.902fbqA GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0044212 GO:0045893 GO:0050714
750.090.6083.760.130.853jsjA GO:0003677 GO:0006351 GO:0006355
760.080.5883.870.160.822dg8B GO:0003677 GO:0006351 GO:0006355
770.080.6314.110.050.882zcxA GO:0003677 GO:0006351 GO:0006355
780.080.6053.830.070.824jl3C GO:0003677 GO:0006351 GO:0006355
790.080.6304.140.060.893hggA GO:0003677 GO:0006351 GO:0006355
800.080.6314.020.120.893rh2A GO:0003677 GO:0006351 GO:0006355
810.080.5894.100.080.841sgmA GO:0003677 GO:0006351 GO:0006355
820.070.6473.810.120.883c07A GO:0003677 GO:0006351 GO:0006355
830.070.5774.390.130.842dg7A GO:0003677 GO:0006351 GO:0006355
840.070.6213.860.110.862qibA GO:0003677 GO:0003700 GO:0006351 GO:0006355
850.070.5904.420.060.913dpjA GO:0003677 GO:0006351 GO:0006355
860.070.6094.190.100.862jj7B GO:0003677 GO:0006351 GO:0006355 GO:0042802
870.070.5664.060.080.802raeA GO:0003677 GO:0006351 GO:0006355
880.070.5624.240.060.802zb9A GO:0003677 GO:0006351 GO:0006355


Consensus prediction of GO terms
 
Molecular Function GO:0042802 GO:0043565 GO:0008144 GO:0003700
GO-Score 0.39 0.36 0.36 0.36
Biological Processes GO:0045892 GO:0042493
GO-Score 0.36 0.36
Cellular Component GO:0016021
GO-Score 0.35

(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.