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I-TASSER results for job id Rv1191

[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
10.29 35 1a8uB BEZ Rep, Mult 40,41,106,107,108,197,254,255,280
20.20 28 1x2bA STX Rep, Mult 40,41,106,107,108,130,197,220,224
30.06 13 3hssB MLA Rep, Mult 42,107,108,139,143,280
40.06 12 1vj5A CIU Rep, Mult 41,107,108,111,155,156,176,185,223,280,281
50.01 3 3c6yA ACN Rep, Mult 40,107,189,198,280
60.01 2 1q0rA AKT Rep, Mult 107,108,111,131,132,133,139,140,165,225,226,228,230,254
70.01 2 3muoA ZPR Rep, Mult 37,63,104,106,107,131,280,294,298
80.01 2 1xrpA PRO Rep, Mult 41,42,107,108,214,218,221,222,225
90.01 3 4fwbA 3KP Rep, Mult 107,133,146,165,173,253,254,280
100.01 2 3hi4A ACT Rep, Mult 41,107,108,133,137,229
110.01 2 1xqyA III Rep, Mult 183,184,187,197,205,214
120.01 3 3otqA MZL Rep, Mult 41,107,108,111,155,173,174,176,181,183,185,194,223,254,255,280,281
130.00 1 3a2mB SUC Rep, Mult 29,31,32,58
140.00 1 3v1nA HPK Rep, Mult 39,40,45,46,49,50,190,197,202,206,281,284
150.00 1 1xrpA III Rep, Mult 187,205,208,209,214
160.00 1 3a2mA SUC Rep, Mult 114,117,124,126,127
170.00 1 1uk8A LEA Rep, Mult 261,264,265,272
180.00 1 1cqwA IOD Rep, Mult 169,173,280
190.00 1 3bwxA CA Rep, Mult 222,225
200.00 1 1g42A CP2 Rep, Mult 32,33

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
10.3591a8qA0.7113.110.2020.8321.11.1.10107,252,280
20.3361a7uA0.7073.350.1910.8451.11.1.10107,252,280
30.3041qj4A0.6113.490.1410.7434.1.2.37107,252,280
40.2862r11D0.6743.520.1940.8093.1.1.1106,113
50.2741va4A0.7063.230.2030.8423.1.1.2107,282
60.2581mj5A0.7223.740.1280.9013.8.1.5280
70.2472qvbB0.7173.810.1460.9013.8.1.5280
80.1982psfA0.7133.880.1200.8981.13.12.5280
90.1903hjuA0.7023.480.1290.8453.1.1.2372,107,212
100.1762og1A0.7093.630.2140.8683.7.1.8NA
110.1432vf2A0.7233.540.1540.8753.7.1.870,72
120.1411u2eA0.7173.670.1950.8753.7.1.-107,252,280
130.1281y37A0.7313.620.1610.8983.8.1.3NA
140.1261j1iA0.6723.210.1650.7963.7.1.8107,255
150.0983bf7A0.6333.710.1460.7803.1.-.-107,238
160.0871dwoA0.6093.600.1130.7474.1.2.3741,107,252,280
170.0603e3aB0.7023.170.1860.8321.11.1.-40,43,67,71,281
180.0601iunB0.6983.540.1510.8423.7.1.9252,280
190.0601zoiA0.7083.360.2000.8523.1.1.-107,252,280
200.0603a2lA0.7283.690.1230.9083.8.1.5NA
210.0602ocgA0.6962.820.1650.7963.1.-.-38,107,109,252,255,272,280
220.0601a88B0.7103.410.1770.8551.11.1.10284
230.0601hlgB0.7413.720.1250.9113.1.1.3NA
240.0602v9zA0.7264.210.1480.9343.8.1.5NA
250.0602pu5A0.7073.600.2140.8653.7.1.843
260.0601a88A0.7103.340.1770.8521.11.1.10107,252,280
270.0602vavB0.7283.550.1380.8822.3.1.175192,197,278
280.0601ivyA0.7433.640.1310.9053.4.16.5NA
290.0601ehyA0.6963.660.1650.8553.3.2.10252,280
300.0601azwA0.9600.910.2050.9773.4.11.5107,252,280
310.0601a8sA0.7043.220.1770.8321.11.1.10107,252,280
320.0601qtrA0.9561.150.1770.9843.4.11.5107,252,280
330.0602b61A0.7183.510.1140.8682.3.1.31NA
340.0603nwoA0.7123.830.1930.8853.4.11.5107
350.0601c4xA0.7183.210.1950.8453.7.1.8284

(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
00.370.9561.150.180.981qtrA GO:0004177 GO:0005737 GO:0006508 GO:0008233 GO:0016787
10.350.7253.620.130.884opmA GO:0004806 GO:0016787
20.340.7313.890.160.914haiA GO:0000287 GO:0003824 GO:0004301 GO:0005102 GO:0005737 GO:0005777 GO:0005829 GO:0006629 GO:0006805 GO:0006874 GO:0006954 GO:0008152 GO:0008217 GO:0009636 GO:0010628 GO:0015643 GO:0016311 GO:0016787 GO:0016791 GO:0017144 GO:0019373 GO:0019439 GO:0033885 GO:0042577 GO:0042632 GO:0042803 GO:0045909 GO:0046272 GO:0046839 GO:0046872 GO:0070062 GO:0072593 GO:0090181
30.330.7103.620.190.852yysA GO:0006508 GO:0008233
40.320.6983.540.150.841iunB GO:0003824 GO:0016787
50.320.7023.170.190.833e3aB GO:0003824 GO:0004601 GO:0009062 GO:0016298 GO:0016491 GO:0055114 GO:0098869
60.310.7243.780.170.895aljA GO:0000287 GO:0003824 GO:0004301 GO:0005102 GO:0005737 GO:0005777 GO:0005829 GO:0006629 GO:0006805 GO:0006874 GO:0006954 GO:0008152 GO:0008217 GO:0009636 GO:0010628 GO:0015643 GO:0016311 GO:0016787 GO:0016791 GO:0017144 GO:0019373 GO:0019439 GO:0033885 GO:0042577 GO:0042632 GO:0042803 GO:0045909 GO:0046272 GO:0046839 GO:0046872 GO:0070062 GO:0072593 GO:0090181
70.300.7113.040.200.831hkhA GO:0003824 GO:0004601 GO:0098869
80.300.7022.770.160.813v48A GO:0006212 GO:0016787 GO:0016811 GO:0019740
90.300.7053.280.200.843heaA GO:0003824 GO:0004064 GO:0004601 GO:0016491 GO:0016787 GO:0055114 GO:0098869
100.290.7173.340.190.864qesA GO:0003723 GO:0003824 GO:0004601 GO:0005198 GO:0005576 GO:0005654 GO:0005829 GO:0005886 GO:0016020 GO:0016032 GO:0016491 GO:0017000 GO:0019012 GO:0019061 GO:0019062 GO:0019064 GO:0019065 GO:0019068 GO:0019070 GO:0019072 GO:0019076 GO:0019083 GO:0030666 GO:0030683 GO:0031904 GO:0039573 GO:0039660 GO:0042025 GO:0046761 GO:0055036 GO:0055114 GO:0075733 GO:0098869
110.290.6913.340.170.824ns4A GO:0016787 GO:0016788
120.290.6713.870.140.823qitB GO:0003824 GO:0008152 GO:0016740 GO:0031177
130.290.7113.110.200.831a8qA GO:0003824 GO:0004601 GO:0016491 GO:0017000 GO:0055114 GO:0098869
140.280.6853.590.170.833oosA GO:0004177 GO:0006508 GO:0016787
150.280.7233.790.140.914kajA GO:0003824 GO:0009636 GO:0016787 GO:0018786
160.280.7103.340.180.851a88A GO:0003824 GO:0004601 GO:0016491 GO:0016691 GO:0055114 GO:0098869
170.260.7093.240.180.841womA GO:0016787
180.260.9600.910.200.981azwA GO:0004177 GO:0005737 GO:0006508 GO:0008233 GO:0016787
190.250.6653.350.150.814nmwA GO:0005737 GO:0009102 GO:0016787 GO:0052689
200.250.7143.010.200.843fobA GO:0003824 GO:0004601 GO:0009636 GO:0016491 GO:0016691 GO:0016787 GO:0019806 GO:0055114 GO:0098869
210.250.6963.450.200.831q0rA GO:0016787 GO:0017000 GO:0052689
220.250.7373.620.170.901mt3A GO:0004177 GO:0006508 GO:0008233 GO:0016787
230.230.7254.310.140.953sk0A GO:0003824 GO:0009636 GO:0016787 GO:0018786
240.230.7053.380.170.854lxhA GO:0016787
250.230.7223.060.180.854rncA GO:0016787 GO:0052689
260.230.7043.220.180.831a8sA GO:0003824 GO:0004601 GO:0016491 GO:0016691 GO:0055114 GO:0098869
270.220.6723.210.170.801j1iA GO:0016787
280.180.7123.830.190.883nwoA GO:0006508 GO:0008233 GO:0016787
290.150.7443.400.190.893wmrA GO:0006508 GO:0008233 GO:0016787
300.140.7213.010.180.854x00A GO:0016787
310.130.7233.540.150.882vf2A GO:0005618 GO:0005886 GO:0006629 GO:0006694 GO:0016042 GO:0016787 GO:0018774 GO:0019439 GO:0034820 GO:0044117 GO:0102296
320.130.7163.390.160.864f0jA GO:0003824 GO:0016787
330.130.7373.360.140.885d6oA GO:0004414 GO:0005737 GO:0008652 GO:0009086 GO:0016740 GO:0016746
340.130.7134.100.110.914qlaA GO:0003824 GO:0005783 GO:0005789 GO:0016020 GO:0016021 GO:0016787 GO:0019439 GO:0031090 GO:0033961 GO:0043231
350.130.7093.630.210.872og1A GO:0003824 GO:0016787 GO:0016823 GO:0018771 GO:0018774 GO:0019439
360.120.7153.310.180.854i3fA GO:0016787
370.120.7193.920.150.895bovB GO:0003824 GO:0016787
380.120.6663.420.170.811m33A GO:0005737 GO:0009102 GO:0016787 GO:0052689 GO:0090499
390.120.7183.820.130.903u1tB GO:0003824
400.120.7033.920.140.874io0A GO:0003824 GO:0008152 GO:0016787 GO:0016798 GO:0047405
410.100.7093.760.150.882e3jA GO:0003824 GO:0016787
420.080.7094.240.090.924qa9A GO:0003824 GO:0016787 GO:0033961


Consensus prediction of GO terms
 
Molecular Function GO:0004177 GO:0004806 GO:0042577 GO:0033885 GO:0005102 GO:0042803 GO:0004301 GO:0000287 GO:0015643
GO-Score 0.37 0.35 0.34 0.34 0.34 0.34 0.34 0.34 0.34
Biological Processes GO:0006508 GO:0008217 GO:0046272 GO:0006954 GO:0009636 GO:0006874 GO:0045909 GO:0010628 GO:0019373 GO:0006805 GO:0046839 GO:0072593 GO:0017144 GO:0090181 GO:0042632
GO-Score 0.58 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
Cellular Component GO:0005777 GO:0005829 GO:0070062
GO-Score 0.34 0.34 0.34

(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.