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I-TASSER results for job id Rv1685c

[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
10.12 25 5f0hA 5TC Rep, Mult 71,75,82,85,95,96,100,103,129,133,136,139,163,166,171,193
20.11 23 3g1mA RF3 Rep, Mult 82,95,96,99,100,103,133,139,140,143,163,166,167,170,193
30.08 16 3btjA DEQ Rep, Mult 71,74,75,77,78,106,107,110,118,132
40.05 7 1jt0C QNA Rep, Mult 40,41,42,53,57,62,63
50.04 8 3angA DCC Rep, Mult 74,115,119,127,128,131,136,157,160,164,167
60.02 4 3lsrA QNA Rep, Mult 41,42,43,47,53,54,57
70.02 5 3angD DCC Rep, Mult 168,172,176,177,179,180
80.02 4 1rkwA PNT Rep, Mult 74,77,78,81,99,103,106,107,110,140,163,166,167
90.02 3 3br0A MGR Rep, Mult 78,107,110,112,116,133,136,137,164,167,171
100.01 2 3lsjA COA Rep, Mult 96,148,197,198
110.01 3 1jt0D NUC Rep, Mult 19,20,50,51,52,53,54,55,58,59
120.01 2 2qop0 III Rep, Mult 36,118,126,129,130,157,160,161,163,164,165,168,169,171,172,175,176,184,187,188,190,191,194,195,200,201,202,203
130.01 2 3lsjB COA Rep, Mult 96,194,197,198
140.01 2 3br0A IMD Rep, Mult 133,136
150.00 1 2np5C NDS Rep, Mult 46,47,49,53
160.00 1 2uxi0 III Rep, Mult 37,38,39,118,120,121,126,130,133,134,137,157,160,163,164,165,167,168,169,171,172,174,175,176,188,190,191,194,201,202,203,205
170.00 1 3btjB DEQ Rep, Mult 110,113,171,172
180.00 1 3angB DCC Rep, Mult 172,176,180,181,184,188
190.00 1 3btjB DEQ Rep, Mult 21,24,59,60
200.00 1 1qvuA PRL Rep, Mult 75,78,106,107,110

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
10.0602i2xA0.4504.890.0680.7052.1.1.9032,62
20.0602zr8A0.4504.600.0600.6765.1.1.18NA
30.0603dwgA0.4524.370.0950.6762.5.1.47NA
40.0602azdB0.4603.790.0840.6332.4.1.168
50.0601tzmC0.4544.780.0920.7103.5.99.721,27,32
60.0601e6yA0.4494.960.0550.6862.8.4.1NA
70.0601vb3A0.4455.190.0370.7204.2.3.1NA
80.0602zpuA0.4514.580.0530.6765.1.1.18NA
90.0601yewB0.4494.590.0720.6571.14.13.25103
100.0601o58A0.4474.560.0660.6912.5.1.47NA
110.0603cf4A0.4715.470.0300.7971.2.99.2NA
120.0601up7A0.4605.230.0300.7393.2.1.86NA
130.0602efyA0.4494.760.0900.7152.5.1.47NA
140.0601tdjA0.4444.570.0730.6674.3.1.19NA
150.0601ve1A0.4564.290.1010.6762.5.1.47NA
160.0602q3dA0.4494.440.0600.6812.5.1.47NA
170.0601zjaA0.4534.790.1040.7055.4.99.11139
180.0601b1yA0.4485.250.0450.6963.2.1.219
190.0601y7lA0.4464.730.0710.7102.5.1.47160

(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
00.400.7622.610.150.913vibC GO:0003677 GO:0006351 GO:0006355
10.390.7882.490.170.933bcgA GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0008144 GO:0042493 GO:0043565 GO:0045892
20.380.6183.720.240.862np3B GO:0003677 GO:0006351 GO:0006355
30.370.6853.140.130.873ppbA GO:0003677 GO:0006351 GO:0006355
40.360.6902.930.150.864l62A GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355
50.360.6793.180.140.863on4A GO:0003677 GO:0006351 GO:0006355
60.360.7802.550.160.923lhqA GO:0003677 GO:0003700 GO:0006351 GO:0006355
70.330.7753.130.160.943lsjA GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0045922
80.330.6853.140.160.863f1bA GO:0003677 GO:0006351 GO:0006355
90.330.6523.350.120.864g12A GO:0003677 GO:0006351 GO:0006355
100.330.6443.400.140.853dewA GO:0003677 GO:0006351 GO:0006355 GO:0016020 GO:0016021
110.320.6673.140.140.863f0cA GO:0003677 GO:0006351 GO:0006355
120.320.5563.710.220.752qwtA GO:0003677 GO:0006351 GO:0006355
130.320.7092.760.160.862g3bA GO:0003677 GO:0006351 GO:0006355
140.320.6783.190.150.863vprA GO:0003677 GO:0006351 GO:0006355 GO:0042802
150.310.7502.660.170.895h9tH GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0051051
160.300.7023.060.150.883on2B GO:0003677 GO:0006351 GO:0006355
170.290.6453.570.160.864pxiB GO:0003677 GO:0006351 GO:0006355
180.290.7092.900.130.864yzeA GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0045892
190.290.7202.800.120.872genA GO:0003677 GO:0003700 GO:0006351 GO:0006355
200.290.7772.600.120.923e7qB GO:0003677 GO:0003700 GO:0006351 GO:0006355
210.290.7182.780.130.892wuiA GO:0003677 GO:0006351 GO:0006355
220.290.6942.850.170.854jl3C GO:0003677 GO:0006351 GO:0006355
230.280.7372.690.130.894ichA GO:0003677 GO:0006351 GO:0006355
240.280.6273.340.140.823vuqC GO:0003677 GO:0006351 GO:0006355
250.270.7732.340.130.903lwjA GO:0003677 GO:0006351 GO:0006355
260.270.6513.440.160.853s5rA GO:0003677 GO:0006351 GO:0006355
270.270.6443.390.080.852hkuA GO:0003677 GO:0006351 GO:0006355
280.270.6663.700.170.874nn1A GO:0003677 GO:0003700 GO:0006351 GO:0006355
290.270.7412.930.150.904gclB GO:0003677 GO:0005737 GO:0007049 GO:0009295 GO:0010974 GO:0043565 GO:0043590 GO:0051301 GO:0051302
300.270.6232.940.110.773egqA GO:0003677 GO:0006351 GO:0006355
310.270.6673.690.140.893pasB GO:0003677 GO:0006351 GO:0006355
320.270.7652.370.120.883whcA GO:0003677 GO:0005737 GO:0006351 GO:0006355 GO:0006629 GO:0006631 GO:0016042
330.260.7003.480.120.911rktA GO:0003677 GO:0006351 GO:0006355
340.260.6273.870.120.863bjbB GO:0003677 GO:0006351 GO:0006355
350.260.7013.330.150.892id6A GO:0003677 GO:0006351 GO:0006355
360.260.6233.760.180.863cdlB GO:0003677 GO:0006351 GO:0006355
370.260.6623.100.100.822zcnD GO:0003677 GO:0006351 GO:0006355
380.260.6723.600.100.893mvpA GO:0003677 GO:0006351 GO:0006355
390.260.6872.980.180.853dcfA GO:0003677 GO:0006351 GO:0006355
400.250.6713.510.160.874cgrA GO:0003677 GO:0006351 GO:0006355
410.250.6523.480.130.862pbxA
420.250.6493.540.140.863he0C GO:0003677 GO:0006351 GO:0006355
430.250.6563.530.140.864mxmA GO:0003677 GO:0006351 GO:0006355
440.250.6713.580.140.904jykA GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0045892 GO:0045893
450.250.6173.510.160.842oerB GO:0003677 GO:0006351 GO:0006355
460.240.5283.400.100.693ljlA GO:0003677
470.240.7243.160.120.923hggA GO:0003677 GO:0006351 GO:0006355
480.230.6482.930.150.802pz9A GO:0003677 GO:0003700 GO:0006351 GO:0006355
490.230.6733.150.110.852fq4A GO:0003677 GO:0006351 GO:0006355
500.230.6153.690.090.822zozB GO:0003677 GO:0006351 GO:0006355
510.230.7622.410.120.895f1jA GO:0003677 GO:0006351 GO:0006355
520.220.7452.870.140.913g7rB GO:0003677 GO:0003700 GO:0006351 GO:0006355
530.220.5834.190.120.813vvxA GO:0003677 GO:0006351 GO:0006355
540.210.7053.270.170.902qibA GO:0003677 GO:0003700 GO:0006351 GO:0006355
550.210.5444.170.140.772rekB GO:0003677 GO:0006351 GO:0006355
560.210.6783.260.100.883angC GO:0003677 GO:0006351 GO:0006355
570.210.6114.170.170.873gziA GO:0003677 GO:0006351 GO:0006355
580.210.7672.790.160.922uxhA GO:0003677 GO:0006351 GO:0006355
590.200.5984.160.080.822ibdA GO:0003677 GO:0006351 GO:0006355
600.200.6183.930.140.872of7A GO:0003677 GO:0006351 GO:0006355
610.200.5694.050.140.792q24B GO:0003677 GO:0006351 GO:0006355
620.200.6363.790.090.863ccyA GO:0003677 GO:0006351 GO:0006355
630.200.6034.270.070.864me9A GO:0003677 GO:0006351 GO:0006355
640.200.6083.970.100.843b81A GO:0003677 GO:0006351 GO:0006355
650.190.5704.270.120.815dy0A GO:0003677 GO:0006351 GO:0006355
660.190.6552.940.190.822dg8B GO:0003677 GO:0006351 GO:0006355
670.180.6573.700.120.882rasB GO:0003677 GO:0006351 GO:0006355
680.180.6443.720.120.883kz9B GO:0003677 GO:0006351 GO:0006355
690.170.6733.220.110.853geuA GO:0003677 GO:0006351 GO:0006355
700.170.5944.010.140.833colA GO:0003677 GO:0006351 GO:0006355
710.160.6343.190.110.822qkoB GO:0003677 GO:0006351 GO:0006355
720.150.6573.250.070.833vp5A GO:0003677 GO:0006351 GO:0006355 GO:0046872
730.150.6343.950.100.893nrgA GO:0003677 GO:0003700 GO:0006351 GO:0006355
740.150.7562.660.120.893p9tA GO:0003677 GO:0006351 GO:0006355
750.140.6882.510.120.822eh3A GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0046872
760.130.7453.180.170.933c07A GO:0003677 GO:0006351 GO:0006355
770.130.6943.020.150.882hyjA GO:0003677 GO:0003700 GO:0006351 GO:0006355
780.120.6742.970.120.843knwA GO:0003677 GO:0006351 GO:0006355
790.120.6913.370.100.893dpjA GO:0003677 GO:0006351 GO:0006355
800.110.6593.330.100.841sgmA GO:0003677 GO:0006351 GO:0006355
810.110.6263.650.120.862zb9A GO:0003677 GO:0006351 GO:0006355
820.100.6863.480.150.921t33A GO:0003677 GO:0003700 GO:0006351 GO:0006355
830.100.6683.620.180.852raeA GO:0003677 GO:0006351 GO:0006355
840.100.7003.250.120.903npiA GO:0003677 GO:0006351 GO:0006355
850.090.6483.570.090.872zcxA GO:0003677 GO:0006351 GO:0006355
860.080.6093.900.080.842dg7A GO:0003677 GO:0006351 GO:0006355
870.080.6314.080.200.872fbqA GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0044212 GO:0045893 GO:0050714
880.080.5803.700.160.812guhA GO:0003677 GO:0006351 GO:0006355
890.070.6323.740.090.863rh2A GO:0003677 GO:0006351 GO:0006355


Consensus prediction of GO terms
 
Molecular Function GO:0003700 GO:0008144 GO:0000976
GO-Score 0.61 0.39 0.36
Biological Processes GO:0042493 GO:0045892
GO-Score 0.39 0.39
Cellular Component GO:0005829
GO-Score 0.36

(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.