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I-TASSER results for job id Rv0135c

[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
10.14 35 3sfiA 3SF Rep, Mult 78,81,91,92,95,96,99,103,129,136,139,140,166,169,170,173,193
20.09 22 4w97A UCA Rep, Mult 70,113,114,133,136,163,166,167,170
30.05 8 1jt0A QNA Rep, Mult 37,38,49,53,58,59
40.05 12 1jumA BER Rep, Mult 70,71,74,102,106,133,136,166
50.04 11 3q0vA LL4 Rep, Mult 78,91,92,95,96,99,133,139,140,143,166,169,193
60.04 11 3br1A DEQ Rep, Mult 67,70,71,74,102,103,106,110,114,129,136
70.03 8 3angD DCC Rep, Mult 70,99,113,117,118,125,126,129,132,157,160,163,166,167,170
80.03 8 1vi0B DCC Rep, Mult 171,174,175,179,180
90.03 8 2uxiB G50 Rep, Mult 74,110,129,133,170
100.03 7 1jt0D QNA Rep, Mult 15,16,46,47,48,49,50,51,54,55
110.02 5 3angA DCC Rep, Mult 70,113,117,127,128,131,136,157,160,163,167,170
120.01 2 3lsrA NUC Rep, Mult 8,9,37,38,39,43,49,50,53
130.01 2 1jt00 III Rep, Mult 111,115,163,167,169,170,173,174,175,188,191,192,195,196,198
140.01 4 3btjB DEQ Rep, Mult 108,111,174,175
150.01 2 2nx40 III Rep, Mult 25,26,27,111,114,117,119,130,137,157,159,160,163,164,167,168,171,174,187,189,192,193
160.01 2 3lsjA COA Rep, Mult 86,91,149,194,195,198
170.00 1 3locB URA Rep, Mult 21,24,25,37,59
180.00 1 2v57A PRL Rep, Mult 71,74,75,78,110,132,141,162,166
190.00 1 3locA URA Rep, Mult 175
200.00 1 3angB DCC Rep, Mult 175,180,181,184,188

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
10.0603i39X0.4435.480.0720.7611.2.99.2103,174
20.0602zpuA0.4414.920.0630.6975.1.1.18NA
30.0601z7wA0.4404.840.0850.6972.5.1.47NA
40.0601udyA0.4404.460.0860.6521.3.99.3187
50.0601j0bU0.4484.960.0500.7213.5.99.7NA
60.0601rqxC0.4485.070.0560.7363.5.99.7NA
70.0602b0cA0.3504.980.0610.5773.1.3.-NA
80.0601tdjA0.4404.840.0690.6924.3.1.19NA
90.0601zd3A0.4524.440.0920.6773.3.2.1067
100.0601p6xA0.4425.110.0240.7072.7.1.21NA
110.0601tzmC0.4475.050.0550.7363.5.99.719
120.0602z1qB0.4435.570.0830.7711.3.99.365
130.0601vj5A0.4714.250.0860.6923.3.2.10,3.3.2.3NA
140.0602zr8A0.4404.840.0570.6925.1.1.18NA
150.0601s6yA0.4424.770.0610.6773.2.1.86NA
160.0602uxwA0.4435.260.0530.7361.3.99.-23,65
170.0603mddA0.3415.100.0610.5471.3.99.3NA
180.0601ig8A0.4354.660.0270.6622.7.1.143
190.0601xmeA0.4594.950.0900.7161.9.3.1NA

(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
00.430.6963.320.150.921jt0A GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0045892
10.430.8381.880.200.923vprA GO:0003677 GO:0006351 GO:0006355 GO:0042802
20.420.7852.530.180.924g12A GO:0003677 GO:0006351 GO:0006355
30.410.8841.680.210.964w97A GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0010468 GO:0019217
40.370.7482.430.130.882iaiA GO:0003677 GO:0006351 GO:0006355
50.360.6283.430.120.834aciB GO:0000287 GO:0003677 GO:0006351 GO:0006355 GO:0046872
60.360.7862.260.200.912ibdA GO:0003677 GO:0006351 GO:0006355
70.350.7093.220.140.913whcA GO:0003677 GO:0005737 GO:0006351 GO:0006355 GO:0006629 GO:0006631 GO:0016042
80.340.6583.620.160.903ppbA GO:0003677 GO:0006351 GO:0006355
90.330.7203.390.140.933bcgA GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0008144 GO:0042493 GO:0043565 GO:0045892
100.330.7153.420.170.933pasB GO:0003677 GO:0006351 GO:0006355
110.330.7253.310.150.932id6A GO:0003677 GO:0006351 GO:0006355
120.320.7952.380.140.903ccyA GO:0003677 GO:0006351 GO:0006355
130.320.7572.630.170.893f1bA GO:0003677 GO:0006351 GO:0006355
140.320.8711.790.190.953himB GO:0003677 GO:0006351 GO:0006355
150.310.7493.170.140.943lhqA GO:0003677 GO:0003700 GO:0006351 GO:0006355
160.300.7613.150.140.934mxmA GO:0003677 GO:0006351 GO:0006355
170.300.7612.560.120.904gclB GO:0003677 GO:0005737 GO:0007049 GO:0009295 GO:0010974 GO:0043565 GO:0043590 GO:0051301 GO:0051302
180.300.5484.180.110.792np3B GO:0003677 GO:0006351 GO:0006355
190.300.6813.660.110.913vibC GO:0003677 GO:0006351 GO:0006355
200.290.7032.960.120.892zcnD GO:0003677 GO:0006351 GO:0006355
210.290.7282.950.130.894ichA GO:0003677 GO:0006351 GO:0006355
220.280.7762.480.150.914gctC 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
230.280.7302.920.100.903nnrA GO:0003677 GO:0006351 GO:0006355
240.280.6563.550.080.852hytA GO:0003677 GO:0006351 GO:0006355
250.280.7202.870.110.863dcfA GO:0003677 GO:0006351 GO:0006355
260.280.7103.100.150.904me9A GO:0003677 GO:0006351 GO:0006355
270.270.7323.160.170.913s5rA GO:0003677 GO:0006351 GO:0006355
280.270.6903.440.140.903on4A GO:0003677 GO:0006351 GO:0006355
290.260.5604.120.140.804hkuA GO:0003677 GO:0006351 GO:0006355
300.260.7293.280.150.912wuiA GO:0003677 GO:0006351 GO:0006355
310.250.6893.580.150.912uxhA GO:0003677 GO:0006351 GO:0006355
320.250.7013.410.140.923qbmA GO:0003677 GO:0003700 GO:0006351 GO:0006355
330.240.7232.930.130.903dewA GO:0003677 GO:0006351 GO:0006355 GO:0016020 GO:0016021
340.240.6563.580.120.884l62A GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355
350.230.5993.780.100.813cjdA GO:0003677 GO:0006351 GO:0006355
360.230.5704.050.110.803bniA GO:0003677 GO:0006351 GO:0006355
370.230.6903.720.110.923lwjA GO:0003677 GO:0006351 GO:0006355
380.230.7183.110.170.895dy0A GO:0003677 GO:0006351 GO:0006355
390.230.6244.050.110.873hggA GO:0003677 GO:0006351 GO:0006355
400.230.6753.590.100.903eupA GO:0003677 GO:0006351 GO:0006355
410.220.7302.770.140.892genA GO:0003677 GO:0003700 GO:0006351 GO:0006355
420.220.7582.620.150.914pxiB GO:0003677 GO:0006351 GO:0006355
430.210.6513.600.090.863f0cA GO:0003677 GO:0006351 GO:0006355
440.210.6533.480.180.873cdlB GO:0003677 GO:0006351 GO:0006355
450.200.5884.620.090.911rktA GO:0003677 GO:0006351 GO:0006355
460.200.6973.440.090.923rh2A GO:0003677 GO:0006351 GO:0006355
470.200.5524.000.120.782qwtA GO:0003677 GO:0006351 GO:0006355
480.200.6314.020.130.903bhqA GO:0003677 GO:0006351 GO:0006355
490.190.7142.830.140.882np5A GO:0003677 GO:0006351 GO:0006355
500.190.6294.140.110.885d18A GO:0003677 GO:0006351 GO:0006355
510.190.7162.910.150.903geuA GO:0003677 GO:0006351 GO:0006355
520.190.6384.120.120.933gziA GO:0003677 GO:0006351 GO:0006355
530.190.6952.740.170.842eh3A GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0046872
540.190.6223.800.110.843angC GO:0003677 GO:0006351 GO:0006355
550.180.6044.390.130.892rasB GO:0003677 GO:0006351 GO:0006355
560.180.6503.620.140.872jj7B GO:0003677 GO:0006351 GO:0006355 GO:0042802
570.160.7163.370.150.945h9tH GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0051051
580.160.6753.360.100.873mvpA GO:0003677 GO:0006351 GO:0006355
590.160.5354.450.080.783b81A GO:0003677 GO:0006351 GO:0006355
600.150.6133.760.100.843ni7A GO:0003677 GO:0006351 GO:0006355
610.130.7353.150.150.911t33A GO:0003677 GO:0003700 GO:0006351 GO:0006355
620.130.6163.720.090.833zqgA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677 GO:0046872
630.130.5863.790.100.803zqfA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677 GO:0046872
640.120.6963.400.120.922hyjA GO:0003677 GO:0003700 GO:0006351 GO:0006355
650.110.7053.280.120.913p9tA GO:0003677 GO:0006351 GO:0006355
660.100.5854.000.060.824auxA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677 GO:0046872
670.080.6293.790.110.873dpjA GO:0003677 GO:0006351 GO:0006355
680.080.6573.420.120.872fbqA GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0044212 GO:0045893 GO:0050714
690.070.6193.850.070.872zcxA GO:0003677 GO:0006351 GO:0006355
700.070.5724.150.100.812vprA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677 GO:0046872
710.070.5904.480.130.872raeA GO:0003677 GO:0006351 GO:0006355


Consensus prediction of GO terms
 
Molecular Function GO:0003677 GO:0003700 GO:0042802
GO-Score 0.93 0.67 0.43
Biological Processes GO:0045892 GO:0019217
GO-Score 0.43 0.41
Cellular Component
GO-Score

(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.