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I-TASSER results for job id Rv0775

[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
10.11 16 3frqA ERY Rep, Mult 23,27,72,75,100,105,118,121,137,138,165,168,169
20.11 16 3q3sA O8B Rep, Mult 76,93,96,97,100,117,121,134,138,141,144,145,165,168,169,172,173,176,194
30.10 15 3g1mA RF3 Rep, Mult 76,92,93,96,97,100,138,144,145,148,165,168,169,172,194
40.06 7 1jt0D QNA Rep, Mult 13,14,44,45,46,47,48,49,52,53
50.03 4 2yvhB NUC Rep, Mult 35,36,47,51,55,56,57
60.03 5 3btcA MGR Rep, Mult 72,113,138,141,142,165,166,169
70.03 4 1sgm0 III Rep, Mult 32,115,121,122,125,126,128,131,135,138,159,162,163,166,169,170,173,174,176,177,178,180,187,193,197
80.01 1 2id3B CA Rep, Mult 38,42
90.01 1 3htaB IMD Rep, Mult 118,121,137,169
100.01 2 3lsrA QNA Rep, Mult 35,36,37,41,47,48,51
110.01 1 3p9tA TCL Rep, Mult 65,69,72,104,114,117
120.01 1 1jt00 III Rep, Mult 117,121,163,166,167,169,170,171,173,174,175,186,189,190,193,194,196,197
130.01 1 2np5C NDS Rep, Mult 124,125,127,131
140.01 2 2dtz0 III Rep, Mult 117,118,121,122,124,128,138,156,163,166,167,169,170,173,174,175,178,182,186,189,190,193,194,196,197
150.01 1 3lsjB COA Rep, Mult 152,192,195,196
160.01 2 2np5A NDS Rep, Mult 177,178,179,180,181
170.01 2 3br5A RHQ Rep, Mult 68,71,72,75,78,100,101,137,141,171
180.01 1 2np5A NDS Rep, Mult 63,66

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
10.0602rd0A0.4215.200.0810.6812.7.1.153165
20.0601gaiA0.4255.290.0450.6913.2.1.3NA
30.0601e3pA0.3525.760.0410.5992.7.7.8101,136
40.0602fhcA0.4605.630.0640.7973.2.1.4156,64
50.0601mpxA0.4446.140.0630.8453.2.1.43NA
60.0602gq3A0.4275.370.0740.6862.3.3.9NA
70.0602e8yA0.4475.480.0840.7683.2.1.4115,58
80.0602g25A0.3405.850.0340.5991.2.4.1NA
90.0602zf5Y0.4005.610.0570.6962.7.1.3021
100.0602e9bA0.4435.910.0960.7923.2.1.413,61
110.0601l8aA0.4335.040.0530.7011.2.4.1121
120.0602a4zA0.4414.880.0620.6712.7.1.153NA
130.0601e6vA0.4425.230.0640.7012.8.4.1129
140.0602r8oB0.4255.490.0750.7302.2.1.1NA
150.0602weiA0.3756.060.0730.6862.7.1.17163
160.0601hbmA0.4405.210.0620.7012.8.4.1129
170.0602i2xA0.4474.980.0320.7052.1.1.9030
180.0603ffzA0.4285.890.0530.7633.4.24.69126
190.0601r9jB0.4285.360.0260.7252.2.1.1NA

(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
00.370.8791.980.130.983e7qB GO:0003677 GO:0003700 GO:0006351 GO:0006355
10.330.7393.230.110.942uxhA GO:0003677 GO:0006351 GO:0006355
20.320.6603.370.140.853vprA GO:0003677 GO:0006351 GO:0006355 GO:0042802
30.320.7042.880.130.873ppbA GO:0003677 GO:0006351 GO:0006355
40.320.6663.070.170.833s5rA GO:0003677 GO:0006351 GO:0006355
50.310.6353.520.150.844w97A GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0010468 GO:0019217
60.310.7222.920.150.884l62A GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355
70.300.7012.920.140.863he0C GO:0003677 GO:0006351 GO:0006355
80.300.7342.730.150.883crjA GO:0003677
90.300.6293.050.160.793egqA GO:0003677 GO:0006351 GO:0006355
100.290.6762.780.250.833t6nA GO:0003677 GO:0003700 GO:0006351 GO:0006355
110.290.7332.750.180.874yzeA GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0045892
120.290.6472.910.100.814aciB GO:0000287 GO:0003677 GO:0006351 GO:0006355 GO:0046872
130.290.7242.980.120.892id6A GO:0003677 GO:0006351 GO:0006355
140.290.6453.420.120.853ccyA GO:0003677 GO:0006351 GO:0006355
150.280.6992.590.210.832qkoB GO:0003677 GO:0006351 GO:0006355
160.280.7052.770.250.863htaA GO:0003677 GO:0006351 GO:0006355
170.280.7482.160.230.852dg8B GO:0003677 GO:0006351 GO:0006355
180.280.7372.820.170.904ichA GO:0003677 GO:0006351 GO:0006355
190.280.7423.000.140.902qibA GO:0003677 GO:0003700 GO:0006351 GO:0006355
200.270.6943.390.130.874nn1A GO:0003677 GO:0003700 GO:0006351 GO:0006355
210.270.7182.860.190.883f1bA GO:0003677 GO:0006351 GO:0006355
220.270.6513.230.170.842hkuA GO:0003677 GO:0006351 GO:0006355
230.250.6793.260.140.881rktA GO:0003677 GO:0006351 GO:0006355
240.250.6982.560.140.843knwA GO:0003677 GO:0006351 GO:0006355
250.250.7252.810.180.883jsjA GO:0003677 GO:0006351 GO:0006355
260.250.7132.780.180.872g3bA GO:0003677 GO:0006351 GO:0006355
270.250.6783.070.140.842hytA GO:0003677 GO:0006351 GO:0006355
280.250.7543.010.140.913eupA GO:0003677 GO:0006351 GO:0006355
290.240.7143.070.120.913npiA GO:0003677 GO:0006351 GO:0006355
300.240.6293.670.130.854pxiB GO:0003677 GO:0006351 GO:0006355
310.240.6563.310.140.854mxmA GO:0003677 GO:0006351 GO:0006355
320.240.6243.370.120.812np3B GO:0003677 GO:0006351 GO:0006355
330.240.7283.060.140.913p9tA GO:0003677 GO:0006351 GO:0006355
340.240.6283.370.150.823vuqC GO:0003677 GO:0006351 GO:0006355
350.230.6943.050.090.862f07A GO:0003677 GO:0006351 GO:0006355
360.230.7163.070.150.893kz9B GO:0003677 GO:0006351 GO:0006355
370.220.7072.920.100.873qkxA GO:0003677 GO:0006351 GO:0006355
380.220.7193.090.130.883pasB GO:0003677 GO:0006351 GO:0006355
390.220.7183.010.120.892pbxA
400.220.7762.160.180.882np5A GO:0003677 GO:0006351 GO:0006355
410.220.6323.360.150.843dewA GO:0003677 GO:0006351 GO:0006355 GO:0016020 GO:0016021
420.220.5763.770.140.802iaiA GO:0003677 GO:0006351 GO:0006355
430.210.6703.030.200.832fd5A GO:0003677 GO:0003700 GO:0006351 GO:0006355
440.210.6703.100.160.844jl3C GO:0003677 GO:0006351 GO:0006355
450.200.6392.970.140.772pz9A GO:0003677 GO:0003700 GO:0006351 GO:0006355
460.200.6643.170.130.862genA GO:0003677 GO:0003700 GO:0006351 GO:0006355
470.200.6803.110.140.872nx4A GO:0003677 GO:0006351 GO:0006355
480.190.6573.680.170.873angC GO:0003677 GO:0006351 GO:0006355
490.190.7532.730.120.903g7rB GO:0003677 GO:0003700 GO:0006351 GO:0006355
500.180.6343.350.100.833cdlB GO:0003677 GO:0006351 GO:0006355
510.180.6183.890.120.853rh2A GO:0003677 GO:0006351 GO:0006355
520.170.5923.950.160.832ibdA GO:0003677 GO:0006351 GO:0006355
530.170.6253.820.130.863gziA GO:0003677 GO:0006351 GO:0006355
540.160.5253.510.100.713ljlA GO:0003677
550.130.7213.130.120.913dpjA GO:0003677 GO:0006351 GO:0006355
560.130.7443.200.140.933c07A GO:0003677 GO:0006351 GO:0006355
570.090.6404.070.120.903nrgA GO:0003677 GO:0003700 GO:0006351 GO:0006355
580.080.6403.930.140.912fbqA GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0044212 GO:0045893 GO:0050714


Consensus prediction of GO terms
 
Molecular Function GO:0003677 GO:0003700 GO:0042802
GO-Score 0.86 0.37 0.32
Biological Processes GO:0006355
GO-Score 0.86
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.