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I-TASSER results for job id Rv1691

[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
10.18 7 3ro3A III Rep, Mult 133,136,137,162,163,167,170,173,174,201,204,205,208,211,212,239,242,245
20.13 5 2qfcB III Rep, Mult 129,133,134,136,137,163,166,167,170,198,201,204
30.05 2 4am9A III Rep, Mult 62,66,69,74,81,93,96,97,100,103,130,163
40.03 1 1fchA III Rep, Mult 142,143,145,146,177,179
50.03 1 1fchA III Rep, Mult 179,180,182,183,215,218
60.03 1 1na0B IPT Rep, Mult 69,100,103,104,130
70.03 1 3fp4A III Rep, Mult 62,66,69,81,93,97,130
80.03 1 2vq2A SO3 Rep, Mult 177,179,180

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
10.0901w3bA0.6713.150.0860.8202.4.1.-NA
20.0602qnoA0.5254.920.0570.7803.2.1.4142
30.0601fmiA0.5025.170.0540.7803.2.1.113NA
40.0601f1sA0.5184.890.0490.7924.2.2.1NA
50.0605acnA0.4835.860.0600.8244.2.1.3NA
60.0601hn0A0.5185.270.0830.8084.2.2.20172
70.0603ebgA0.5275.520.0860.8483.4.11.-NA
80.0602vn4A0.5045.250.0690.7963.2.1.3208
90.0601kktA0.5044.850.0530.7443.2.1.113NA
100.0601w3bB0.6673.410.1200.8202.4.1.-92
110.0601h19A0.4784.450.0600.6843.3.2.6NA
120.0601ks8A0.4894.670.0690.7003.2.1.4NA
130.0601rw9A0.5075.560.0610.8284.2.2.5172
140.0601w6jA0.4904.950.0970.7445.4.99.7NA
150.0602f6dA0.5114.760.0430.7403.2.1.3NA
160.0603c5wA0.4674.790.0880.7043.1.3.16135
170.0602c0lA0.5784.120.1120.7562.3.1.176173
180.0601i8qA0.5314.690.0450.7844.2.2.196
190.0601ia7A0.4925.240.0560.7523.2.1.4NA
200.0602pziA0.6414.420.0910.8882.7.11.1135

(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
00.300.7361.440.150.772q7fA
10.250.6673.410.120.821w3bB GO:0000123 GO:0000791 GO:0001933 GO:0001934 GO:0005547 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005829 GO:0005886 GO:0006041 GO:0006110 GO:0006486 GO:0006493 GO:0006915 GO:0007165 GO:0007584 GO:0008047 GO:0008134 GO:0008289 GO:0008375 GO:0010628 GO:0010801 GO:0016020 GO:0016262 GO:0016568 GO:0016740 GO:0016757 GO:0019904 GO:0030854 GO:0030900 GO:0031397 GO:0032868 GO:0032869 GO:0032922 GO:0033137 GO:0035020 GO:0042277 GO:0042588 GO:0043005 GO:0043025 GO:0043085 GO:0043981 GO:0043982 GO:0043984 GO:0043995 GO:0043996 GO:0045793 GO:0045862 GO:0045944 GO:0046626 GO:0046972 GO:0048015 GO:0048029 GO:0048312 GO:0048511 GO:0051571 GO:0060548 GO:0061087 GO:0070207 GO:0070208 GO:0070688 GO:0071222 GO:0071300 GO:0071333 GO:0080182 GO:0090315 GO:0090526 GO:0097237 GO:0097363 GO:1900038 GO:1900182 GO:1903428
20.230.6713.150.090.821w3bA GO:0000123 GO:0000791 GO:0001933 GO:0001934 GO:0005547 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005829 GO:0005886 GO:0006041 GO:0006110 GO:0006486 GO:0006493 GO:0006915 GO:0007165 GO:0007584 GO:0008047 GO:0008134 GO:0008289 GO:0008375 GO:0010628 GO:0010801 GO:0016020 GO:0016262 GO:0016568 GO:0016740 GO:0016757 GO:0019904 GO:0030854 GO:0030900 GO:0031397 GO:0032868 GO:0032869 GO:0032922 GO:0033137 GO:0035020 GO:0042277 GO:0042588 GO:0043005 GO:0043025 GO:0043085 GO:0043981 GO:0043982 GO:0043984 GO:0043995 GO:0043996 GO:0045793 GO:0045862 GO:0045944 GO:0046626 GO:0046972 GO:0048015 GO:0048029 GO:0048312 GO:0048511 GO:0051571 GO:0060548 GO:0061087 GO:0070207 GO:0070208 GO:0070688 GO:0071222 GO:0071300 GO:0071333 GO:0080182 GO:0090315 GO:0090526 GO:0097237 GO:0097363 GO:1900038 GO:1900182 GO:1903428
30.200.6673.100.100.814bujB GO:0005634 GO:0005737 GO:0034427 GO:0051607 GO:0055087 GO:0070478 GO:0070481
40.200.6783.880.100.864a1sA GO:0000132 GO:0005938 GO:0007400 GO:0007405 GO:0008105 GO:0008356 GO:0019904 GO:0030695 GO:0040001 GO:0045167 GO:0045175 GO:0045177 GO:0045179 GO:0045185 GO:0050790 GO:0051294 GO:0055059
50.190.5253.300.160.642pl2A
60.180.5434.690.100.745aioA GO:0000127 GO:0000999 GO:0001002 GO:0001003 GO:0001005 GO:0001008 GO:0001009 GO:0001021 GO:0001041 GO:0003677 GO:0005634 GO:0005654 GO:0006351 GO:0006355 GO:0006383 GO:0006385 GO:0008301 GO:0042791
70.170.5784.170.110.752c0mC GO:0000268 GO:0005052 GO:0005622 GO:0005737 GO:0005777 GO:0005778 GO:0005782 GO:0005829 GO:0006625 GO:0006810 GO:0008022 GO:0015031 GO:0016020 GO:0016558 GO:0016560 GO:0016561 GO:0019899 GO:0031267 GO:0043234 GO:0045046 GO:0047485 GO:0051262 GO:1901094
80.170.5584.320.140.765a31Y GO:0005634 GO:0005654 GO:0005680 GO:0005829 GO:0007049 GO:0007067 GO:0016567 GO:0019903 GO:0031145 GO:0042787 GO:0043161 GO:0051301 GO:0051436 GO:0051437 GO:0051439 GO:0070979
90.170.5723.980.070.763lcaA GO:0005739 GO:0005741 GO:0006626 GO:0015266 GO:0016020 GO:0016021 GO:0031307 GO:0071806
100.170.6383.360.130.802fi7A GO:0009297 GO:0043683 GO:0046903
110.160.6283.670.130.805dseA GO:0005737 GO:0005829 GO:0005886 GO:0016020 GO:0046854 GO:0090002
120.160.6843.920.090.875a6cB GO:0000132 GO:0000166 GO:0000922 GO:0001965 GO:0005092 GO:0005654 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005911 GO:0005912 GO:0005913 GO:0005938 GO:0007052 GO:0007155 GO:0007165 GO:0007186 GO:0007267 GO:0008022 GO:0017016 GO:0030054 GO:0030695 GO:0034332 GO:0042802 GO:0043547 GO:0045177 GO:0050790 GO:0051661 GO:0060487 GO:0090557 GO:0097431 GO:0098609 GO:0098641
130.160.6013.050.120.724jhrA GO:0000132 GO:0000166 GO:0000922 GO:0001965 GO:0005092 GO:0005737 GO:0005856 GO:0005938 GO:0007052 GO:0030695 GO:0042802 GO:0045177 GO:0050790 GO:0051661 GO:0060487 GO:0097431
140.160.6304.110.120.824horA GO:0000049 GO:0002376 GO:0003723 GO:0003727 GO:0005886 GO:0015629 GO:0016020 GO:0032587 GO:0042995 GO:0043231 GO:0044822 GO:0045087 GO:0045177 GO:0051607
150.160.5724.680.070.833fp3A GO:0005739 GO:0005741 GO:0006626 GO:0015266 GO:0016020 GO:0016021 GO:0031307 GO:0071806
160.140.5734.020.120.744eqfA GO:0000268 GO:0005052 GO:0005737 GO:0005778 GO:0005829 GO:0016020 GO:0016560 GO:0030425 GO:0031267 GO:0042391 GO:0043235 GO:0043949 GO:0045185
170.120.5743.950.100.741xnfB GO:0005886 GO:0007049 GO:0016020 GO:0030674 GO:0051301
180.120.5904.520.110.804xifA GO:0000123 GO:0000791 GO:0001933 GO:0001934 GO:0005547 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005829 GO:0005886 GO:0006041 GO:0006110 GO:0006486 GO:0006493 GO:0006915 GO:0007165 GO:0007584 GO:0008047 GO:0008134 GO:0008289 GO:0008375 GO:0010628 GO:0010801 GO:0016020 GO:0016262 GO:0016568 GO:0016740 GO:0016757 GO:0019904 GO:0030854 GO:0030900 GO:0031397 GO:0032868 GO:0032869 GO:0032922 GO:0033137 GO:0035020 GO:0042277 GO:0042588 GO:0043005 GO:0043025 GO:0043085 GO:0043981 GO:0043982 GO:0043984 GO:0043995 GO:0043996 GO:0045793 GO:0045862 GO:0045944 GO:0046626 GO:0046972 GO:0048015 GO:0048029 GO:0048312 GO:0048511 GO:0051571 GO:0060548 GO:0061087 GO:0070207 GO:0070208 GO:0070688 GO:0071222 GO:0071300 GO:0071333 GO:0080182 GO:0090315 GO:0090526 GO:0097237 GO:0097363 GO:1900038 GO:1900182 GO:1903428
190.100.5914.150.080.802gw1A GO:0005739 GO:0005741 GO:0005742 GO:0006626 GO:0006886 GO:0015266 GO:0015450 GO:0016020 GO:0016021 GO:0030150 GO:0030943 GO:0031307 GO:0045039
200.090.4872.050.170.542fo7A
210.070.5543.910.120.725a01A GO:0006486 GO:0006493 GO:0008375 GO:0016740 GO:0016757 GO:0035220 GO:0045475


Consensus prediction of GO terms
 
Molecular Function GO:0019904 GO:0097363 GO:0043996 GO:0043995 GO:0048029 GO:0016262 GO:0005547 GO:0042277 GO:0046972 GO:0008134 GO:0008047 GO:0060589
GO-Score 0.54 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.40
Biological Processes GO:0045944 GO:0035020 GO:0006493 GO:0007584 GO:0048015 GO:0046626 GO:0071333 GO:0006110 GO:0090526 GO:0030900 GO:1900038 GO:0071300 GO:0070207 GO:1903428 GO:1900182 GO:0043981 GO:0071222 GO:0090315 GO:0006041 GO:0070208 GO:0045793 GO:0043984 GO:0031397 GO:0097237 GO:0001934 GO:0060548 GO:0080182 GO:0006915 GO:0048312 GO:0030854 GO:0016568 GO:0045862 GO:0043085 GO:0061087 GO:0033137 GO:0051571 GO:0010801 GO:0043982 GO:0032922 GO:0002252 GO:0098542 GO:0098722 GO:0048867 GO:0051235 GO:1903047 GO:0043928 GO:0030010 GO:0000184 GO:0051293 GO:0055057 GO:0008105 GO:0009615 GO:0014017
GO-Score 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40
Cellular Component GO:0070688 GO:0005829 GO:0000123 GO:0000791 GO:0043025 GO:0005886 GO:0043005 GO:0005739 GO:0042588 GO:0099738 GO:0045177
GO-Score 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.40 0.40

(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.