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I-TASSER results for job id Rv2307c

[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
10.25 11 1iuoA ACT Rep, Mult 86,156,157,189,227,254
20.09 4 4uhdA ACT Rep, Mult 85,86,156,157,254
30.06 3 3pfbB ZYC Rep, Mult 86,87,89,155,156,157,180,183,186,193,197,254
40.04 2 2xmgA UUU Rep, Mult 131,135,138,139,152
50.04 2 3djyA UUU Rep, Mult 120,121,122,124,125
60.02 1 3muoA ZPR Rep, Mult 83,108,153,155,156,178,254,266,270
70.02 1 3pfcA NA Rep, Mult 224,225,226,227,253,254
80.02 1 3pfcA NA Rep, Mult 163,174,176
90.02 1 3fytC XYP Rep, Mult 83,88,97

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
10.3511i6wB0.5062.920.1610.5843.1.1.3156,225,254
20.3003cn7A0.5533.210.1860.6483.1.1.1156,225,254
30.2882ocgA0.6503.110.1820.7623.1.-.-156,158,162,218,225,228,254
40.2831auoA0.5693.260.1860.6653.1.1.1156,225,254
50.2373fcxB0.6593.370.1250.7973.1.2.12254
60.1881vkhA0.6203.520.1370.7543.5.1.9NA
70.1732h1iA0.5393.460.1860.6583.1.1.189,156,179
80.1151thtA0.6873.010.1640.8012.3.1.-156,254
90.1122d5lA0.6803.200.1590.8043.4.14.-156,225,254
100.0851j1iA0.6343.200.1810.7333.7.1.886,88,156
110.0851fj2A0.5853.440.1420.7013.1.4.39NA
120.0791va4A0.6433.000.1900.7473.1.1.2111,156
130.0761dinA0.5913.270.1610.7193.1.1.45225
140.0751a8qA0.6472.990.1610.7511.11.1.10156,226
150.0631e5tA0.6723.570.1140.8223.4.21.26156,225,254
160.0601zd3A0.6613.200.1190.7833.3.2.10NA
170.0602fj0A0.6653.920.1360.8293.1.1.1NA
180.0601thgA0.6653.790.1170.8293.1.1.3NA
190.0601vj5A0.6583.250.1190.7833.3.2.10,3.3.2.3154
200.0601gz7C0.6693.860.1200.8363.1.1.3NA
210.0601vlqA0.7043.930.1890.8863.1.1.41225,254
220.0602pm8A0.6683.830.1130.8363.1.1.8NA
230.0601maaD0.6683.710.1320.8263.1.1.7NA
240.0601eveA0.6673.810.1070.8363.1.1.7NA
250.0601cleA0.6683.920.1200.8363.1.1.3NA
260.0601ivyA0.6863.250.1520.8113.4.16.5NA
270.0601b41A0.6653.760.1400.8293.1.1.7NA
280.0601k8qA0.6763.110.1540.7903.1.1.3254
290.0603nwoA0.6593.130.1890.7723.4.11.5156
300.0603hjuA0.6912.960.1950.8013.1.1.23117,156
310.0602veoB0.6603.660.0920.8223.1.1.3115,165

(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
00.370.7112.520.210.793pf8A GO:0016787
10.320.6603.020.170.774x00A GO:0016787
20.320.7114.020.190.913fvrA GO:0008126 GO:0016787
30.280.6553.040.220.761q0rA GO:0016787 GO:0017000 GO:0052689
40.260.7093.950.180.901l7aA GO:0000272 GO:0005737 GO:0005975 GO:0016787 GO:0030245 GO:0046555 GO:0047739 GO:0052689
50.260.6532.610.200.742fukA GO:0016787
60.260.6593.090.160.784rncA GO:0016787 GO:0052689
70.240.6102.700.180.701imjA GO:0005634 GO:0005730 GO:0005737 GO:0005829 GO:0016787 GO:0045944 GO:0050427 GO:0070062
80.240.6623.400.140.804wy5A GO:0008152 GO:0016787 GO:0052689
90.240.6912.960.200.803hjuA GO:0004622 GO:0005654 GO:0005737 GO:0005789 GO:0005829 GO:0005886 GO:0006629 GO:0006631 GO:0006633 GO:0006954 GO:0009966 GO:0016020 GO:0016042 GO:0016787 GO:0019369 GO:0019433 GO:0019898 GO:0036155 GO:0042803 GO:0046464 GO:0047372 GO:0050727 GO:0051930 GO:0052689 GO:2000124
100.230.6543.150.160.774f0jA GO:0003824 GO:0016787
110.230.6673.170.170.794opmA GO:0004806 GO:0016787
120.230.6683.350.170.814bzwA GO:0008152 GO:0016787 GO:0042802
130.220.6663.870.180.835hfnD GO:0000272 GO:0005509 GO:0005737 GO:0005975 GO:0005976 GO:0008152 GO:0016787 GO:0030245 GO:0046555 GO:0046872 GO:0047739 GO:0052689
140.190.5813.270.220.694fhzA GO:0016787
150.190.6343.200.180.731j1iA GO:0016787
160.170.6523.090.160.774qesA 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
170.120.6302.710.200.722i3dB GO:0016787
180.110.7033.910.190.893m83A GO:0000272 GO:0005509 GO:0005737 GO:0005975 GO:0005976 GO:0008152 GO:0016787 GO:0030245 GO:0046555 GO:0046872 GO:0047739 GO:0052689
190.110.6863.790.160.873fcyA
200.100.7062.400.170.792wtmA
210.100.6853.540.150.824zwnB GO:0005737 GO:0005739 GO:0005741 GO:0005783 GO:0005811 GO:0006641 GO:0009966 GO:0016020 GO:0016787 GO:0019433 GO:0047372
220.090.6523.090.170.772og1A GO:0003824 GO:0016787 GO:0016823 GO:0018771 GO:0018774 GO:0019439
230.090.6603.540.140.812y6vC GO:0004806 GO:0005777 GO:0005782 GO:0007031 GO:0016298 GO:0016787 GO:0019433
240.090.6763.110.150.791k8qA GO:0004806 GO:0005576 GO:0006629 GO:0016042 GO:0016787 GO:0016788
250.090.6392.440.220.723trdA GO:0016787
260.090.6503.110.180.762ocgA GO:0005739 GO:0005741 GO:0006520 GO:0006805 GO:0009636 GO:0016787 GO:0047658 GO:0070062
270.090.6723.200.170.791hlgA GO:0004806 GO:0005576 GO:0005739 GO:0006108 GO:0006629 GO:0006641 GO:0008289 GO:0016042 GO:0016615 GO:0016787 GO:0016788 GO:0055114
280.080.6433.020.190.753heaA GO:0003824 GO:0004064 GO:0004601 GO:0016491 GO:0016787 GO:0055114 GO:0098869
290.080.6463.180.170.764dgqA GO:0004601 GO:0016491 GO:0016691 GO:0055114 GO:0098869
300.080.6472.990.160.751a8qA GO:0003824 GO:0004601 GO:0016491 GO:0017000 GO:0055114 GO:0098869
310.080.6403.060.160.751a8sA GO:0003824 GO:0004601 GO:0016491 GO:0016691 GO:0055114 GO:0098869
320.070.6413.010.150.753fobA GO:0003824 GO:0004601 GO:0009636 GO:0016491 GO:0016691 GO:0016787 GO:0019806 GO:0055114 GO:0098869
330.070.6583.470.150.804n5hX GO:0008152 GO:0016787
340.070.6603.020.140.773fnbA GO:0004252 GO:0006508


Consensus prediction of GO terms
 
Molecular Function GO:0019213 GO:0008126
GO-Score 0.53 0.32
Biological Processes GO:0016999 GO:0044249 GO:0030243 GO:0051275
GO-Score 0.56 0.56 0.53 0.53
Cellular Component GO:0044424
GO-Score 0.53

(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.