[Home] [Server] [About] [Statistics] [Annotation]

I-TASSER results for job id Rv0142

[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
10.41 56 3ktuA NUC Rep, Mult 131,132,133,134,135,136,138,185,188,220,222,223,224,225,226,227,234,243,246,247,248,282,286
20.37 46 3cwaB NUC Rep, Mult 132,133,221,222,223,224,225,226,227
30.06 13 2nozA QNA Rep, Mult 133,138,183,185,186,188
40.04 9 3f10A 8HG Rep, Mult 31,128,131,136,226,234,243,246,249,282,283,286
50.02 4 2i5wA CA Rep, Mult 218,220,223
60.01 2 3d4vD QNA Rep, Mult 225,263,265
70.01 3 3cvtC NUC Rep, Mult 263,264,265,268
80.00 1 1m3hA UUU Rep, Mult 133,134,135,136,139,226,247,248
90.00 1 3ogdA NUC Rep, Mult 185,187
100.00 1 2nofA QNA Rep, Mult 218,224,226,227
110.00 1 3cwaC NUC Rep, Mult 187,263,265

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
10.1603f0zA0.7583.010.1270.8934.2.99.18246
20.1451keaA0.4793.510.1750.5843.2.2.-131
30.1201mudA0.4803.460.1510.5883.2.2.-137
40.0833fhgA0.4573.670.1160.5554.2.99.18NA
50.0661xg7A0.4614.390.0730.6174.2.99.18227
60.0601ea0A0.3456.490.0430.5911.4.1.13NA
70.0601mo7A0.2346.390.0290.3993.6.3.9228
80.0601xqoA0.4844.000.0930.6174.2.99.18136,247
90.0603l4uA0.4126.280.0700.6793.2.1.20,3.2.1.3229,236,267
100.0602jhnA0.8182.620.1480.9223.2.2.21226
110.0602is4B0.3705.950.0520.5973.6.1.-NA
120.0602fugU0.3996.330.0880.6691.6.99.5229,277
130.0601llwA0.4106.290.0360.6791.4.7.1NA
140.0603ixzA0.3996.080.0450.6363.6.3.10NA
150.0601q16A0.3536.870.0350.6401.7.99.4NA
160.0601kg5A0.4823.510.1530.5943.2.2.-131
170.0601fn7A0.7593.130.1140.8964.2.99.18,3.2.2.-NA
180.0602ajqA0.4046.110.0320.6492.7.7.7NA
190.0601qbaA0.3936.650.0320.6753.2.1.52NA
200.0603b8eC0.3996.040.0380.6363.6.3.925
210.0602abkA0.5052.940.1510.5884.2.99.18246
220.0601br2A0.3336.710.0450.5913.6.1.32NA
230.0602is6A0.3975.940.0520.6333.6.4.12NA
240.0601dizA0.8541.630.1560.8963.2.2.21246

(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
00.540.8521.760.140.903ogdA GO:0003824 GO:0003905 GO:0005737 GO:0006281 GO:0006284 GO:0006307 GO:0006974 GO:0008725 GO:0016787 GO:0043916 GO:0052821 GO:0052822
10.410.8182.620.150.922jhnA GO:0003824 GO:0006281 GO:0006284
20.360.7533.200.100.902xhiA GO:0002526 GO:0003677 GO:0003684 GO:0003824 GO:0003906 GO:0004519 GO:0005634 GO:0005654 GO:0005739 GO:0006281 GO:0006284 GO:0006289 GO:0006355 GO:0006974 GO:0006979 GO:0007568 GO:0008017 GO:0008152 GO:0008534 GO:0009314 GO:0009416 GO:0016363 GO:0016607 GO:0016787 GO:0016798 GO:0016829 GO:0019104 GO:0032355 GO:0032357 GO:0033158 GO:0033683 GO:0034039 GO:0042493 GO:0043066 GO:0043234 GO:0045007 GO:0045008 GO:0045471 GO:0051593 GO:0071276 GO:1901291
30.310.7792.880.120.914ejyA GO:0003684 GO:0003824 GO:0006281 GO:0006284 GO:0006289 GO:0008534
40.230.7703.200.120.923f10A GO:0003684 GO:0003824 GO:0006281 GO:0006284 GO:0006289 GO:0008534
50.200.5223.130.180.622yg8A GO:0003824 GO:0006281 GO:0006284 GO:0008152 GO:0016798 GO:0019104
60.200.4913.150.160.581ornA
70.190.5702.810.160.662h56A GO:0003824 GO:0006281 GO:0006284 GO:0008152 GO:0016798
80.170.5592.510.170.633s6iD GO:0003684 GO:0003824 GO:0003905 GO:0005634 GO:0006281 GO:0006284 GO:0006285 GO:0006307 GO:0006974 GO:0008725 GO:0016787 GO:0032131 GO:0032993 GO:0043916 GO:0045007 GO:0052820 GO:0052821 GO:0052822
90.150.5083.240.180.614unfA GO:0003824 GO:0003906 GO:0004519 GO:0006281 GO:0006284 GO:0006974 GO:0008152 GO:0016787 GO:0016798 GO:0046872 GO:0051536 GO:0051539 GO:0090305
100.150.5632.400.130.634b21A GO:0003824 GO:0003905 GO:0005634 GO:0006281 GO:0006284 GO:0006285 GO:0006307 GO:0006974 GO:0008725 GO:0016787 GO:0019104 GO:0043916 GO:0052821 GO:0052822
110.140.5063.220.170.614uobA GO:0003824 GO:0004519 GO:0006281 GO:0006284 GO:0046872 GO:0051536 GO:0051539 GO:0090305
120.140.4823.510.150.591kg5A GO:0003677 GO:0003824 GO:0006281 GO:0006284 GO:0006974 GO:0008152 GO:0016787 GO:0016798 GO:0019104 GO:0046872 GO:0051536 GO:0051539
130.070.4993.480.110.604yprA GO:0003677 GO:0003824 GO:0006281 GO:0006284 GO:0006974 GO:0008152 GO:0016787 GO:0016798 GO:0019104 GO:0046872 GO:0051536 GO:0051539
140.070.5052.940.150.592abkA GO:0000703 GO:0003677 GO:0003824 GO:0003906 GO:0006281 GO:0006284 GO:0006285 GO:0006974 GO:0008152 GO:0016787 GO:0016798 GO:0016829 GO:0019104 GO:0034644 GO:0046872 GO:0051536 GO:0051539
150.070.4843.380.120.581pu6A GO:0003677 GO:0003824 GO:0004519 GO:0006281 GO:0006284 GO:0090305
160.070.4793.510.170.581keaA GO:0003677 GO:0003824 GO:0003906 GO:0006281 GO:0006284 GO:0006974 GO:0008152 GO:0016787 GO:0016798 GO:0046872 GO:0051536 GO:0051539
170.060.3107.190.080.584kb5A GO:0004252 GO:0006508 GO:0016020 GO:0016021
180.060.3696.050.060.594n56A GO:0001882 GO:0003676 GO:0003677 GO:0003824 GO:0003887 GO:0006260 GO:0006261 GO:0006281 GO:0006974 GO:0016740 GO:0016779 GO:0071897


Consensus prediction of GO terms
 
Molecular Function GO:0052822 GO:0043916 GO:0052821 GO:0008725 GO:0034039 GO:0032357 GO:0008017
GO-Score 0.54 0.54 0.54 0.54 0.36 0.36 0.36
Biological Processes GO:0006307 GO:0042493 GO:0002526 GO:1901291 GO:0051593 GO:0045007 GO:0009416 GO:0033683 GO:0033158 GO:0045008 GO:0007568 GO:0045471 GO:0006979 GO:0006355 GO:0071276 GO:0032355 GO:0043066
GO-Score 0.54 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36
Cellular Component GO:0005739 GO:0016607 GO:0043234 GO:0016363
GO-Score 0.36 0.36 0.36 0.36

(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.