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

I-TASSER results for job id Rv2190c

[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
10.06 3 2e42B NUC Rep, Mult 150,151,154,155,157,158,159,161
20.04 2 2qveA 247 Rep, Mult 327,340,350
30.04 2 3p93A KDG Rep, Mult 288,290
40.04 2 3sjqD PHU Rep, Mult 87,90,91
50.02 1 3h41A UUU Rep, Mult 162,197,290,291,299,300,301,318,319,347
60.02 1 4f8hA LMD Rep, Mult 94,97
70.02 1 3athC AKG Rep, Mult 291,352
80.02 1 1yklG DHB Rep, Mult 285,287
90.02 1 3e1nE UNK Rep, Mult 60,190
100.02 1 1l5gB III Rep, Mult 288,310,311,312,314,315
110.02 1 1bviD CA Rep, Mult 297,299
120.02 1 1m1xB UUU Rep, Mult 289,290,291,292,293,307,312
130.02 1 2c9qA CU Rep, Mult 340,348
140.02 1 4zxqA CA Rep, Mult 145,148
150.02 1 1utzA PF3 Rep, Mult 360,361
160.02 1 2vdoB III Rep, Mult 304,307,308,368,369
170.02 1 2iunB CA Rep, Mult 291,299
180.02 1 3cp0A ZN Rep, Mult 348,355
190.02 1 3c9iA CA Rep, Mult 148,151
200.02 1 2ll8A PNS Rep, Mult 299,301

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
10.0601eulA0.3355.740.0410.4933.6.3.8267
20.0601fziA0.3355.790.0360.4781.14.13.25NA
30.0601pj6A0.3247.160.0490.5581.5.3.10NA
40.0603e04D0.3305.420.0470.4624.2.1.2NA
50.0603ffzA0.3566.470.0300.5533.4.24.69NA
60.0602fenD0.3195.520.0530.4575.5.1.2NA
70.0602vuaA0.2266.920.0510.3773.4.24.69352
80.0601b8fA0.3215.360.0580.4444.3.1.3NA
90.0601mhsA0.3427.060.0620.5773.6.3.6NA
100.0601ti2A0.3216.510.0490.5191.97.1.2NA
110.0603lssB0.3215.080.0380.4316.1.1.11NA
120.0601p4rA0.3376.920.0520.5822.1.2.3,3.5.4.10NA
130.0601w27A0.3745.440.0700.5384.3.1.24NA
140.0601ffyA0.3407.240.0770.5906.1.1.5296
150.0602gq3A0.3246.330.0410.5122.3.3.9299
160.0603g61A0.3435.920.0440.4963.6.3.44350
170.0601ti6A0.3206.580.0450.5221.97.1.2NA
180.0602vumB0.2707.300.0310.4732.7.7.6NA
190.0602j0mA0.2206.780.0260.3662.7.10.2NA

(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
00.060.4266.460.070.671ciiA GO:0005886 GO:0016020 GO:0016021 GO:0019835 GO:0042742 GO:0050829
10.060.2637.450.050.473nogA GO:0005215 GO:0005886 GO:0005887 GO:0006810 GO:0006855 GO:0015238 GO:0015307 GO:0016020 GO:0016021 GO:0042493 GO:0042802 GO:0046618
20.060.3567.270.090.622v50D GO:0005215 GO:0005886 GO:0006810 GO:0006855 GO:0015238 GO:0016020 GO:0016021 GO:0046677
30.060.3957.110.060.663w9iF GO:0005215 GO:0005886 GO:0006810 GO:0006855 GO:0015238 GO:0016020 GO:0016021 GO:0046677
40.060.3116.320.050.482d4yA GO:0005198 GO:0005576 GO:0009288 GO:0009424 GO:0044780 GO:0071973
50.060.3855.830.070.574ut1A GO:0005198 GO:0009424 GO:0044780
60.060.3847.170.040.654k0eA GO:0005215 GO:0006810 GO:0006812 GO:0008324 GO:0016020 GO:0016021 GO:0098655
70.060.3176.980.050.544k0eC GO:0005215 GO:0006810 GO:0006812 GO:0008324 GO:0016020 GO:0016021 GO:0098655
80.060.2727.080.040.461rh1A GO:0005886 GO:0009405 GO:0016020 GO:0016021 GO:0019835 GO:0042742 GO:0050829
90.060.3856.980.040.643d9bA GO:0005215 GO:0005886 GO:0005887 GO:0006810 GO:0006855 GO:0015238 GO:0015307 GO:0016020 GO:0016021 GO:0042493 GO:0042802 GO:0046618
100.060.2637.110.050.452wssA GO:0000166 GO:0005524 GO:0005739 GO:0005743 GO:0005753 GO:0005886 GO:0006754 GO:0006810 GO:0006811 GO:0015986 GO:0015991 GO:0015992 GO:0016020 GO:0016820 GO:0033178 GO:0045261 GO:0046034 GO:0046933 GO:0046961
110.060.3457.160.060.594dnrA GO:0005215 GO:0005375 GO:0005507 GO:0005886 GO:0006810 GO:0006811 GO:0006812 GO:0006825 GO:0006878 GO:0008324 GO:0010272 GO:0010273 GO:0015080 GO:0015673 GO:0015679 GO:0016020 GO:0016021 GO:0046688 GO:0060003 GO:1902601
120.060.3077.430.070.564k0eB GO:0005215 GO:0006810 GO:0006812 GO:0008324 GO:0016020 GO:0016021 GO:0098655
130.060.2696.970.050.452ad5B GO:0000166 GO:0003883 GO:0005524 GO:0005829 GO:0006221 GO:0006241 GO:0006541 GO:0016874 GO:0042802 GO:0044210
140.060.2856.880.020.484mt1A GO:0005215 GO:0006810 GO:0016020 GO:0016021
150.060.2556.600.040.413i6sA GO:0004252 GO:0005618 GO:0006508 GO:0008233 GO:0008236 GO:0016787
160.060.2897.000.050.493fewX GO:0016020 GO:0016021 GO:0019835 GO:0050829
170.060.2975.940.040.455en5C GO:0005215 GO:0005886 GO:0005887 GO:0006810 GO:0006855 GO:0015238 GO:0015307 GO:0016020 GO:0016021 GO:0042493 GO:0042802 GO:0046618
180.060.2035.310.060.283lidA GO:0000155 GO:0000160 GO:0005622 GO:0023014


Consensus prediction of GO terms
 
Molecular Function GO:0022857 GO:0090484
GO-Score 0.36 0.36
Biological Processes GO:0055085 GO:0015893
GO-Score 0.36 0.36
Cellular Component GO:0071944 GO:0031224
GO-Score 0.47 0.37

(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.