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

I-TASSER results for job id Rv2603c

[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
10.06 3 3b1rD MG Rep, Mult 33,70
20.04 2 1vf5A CLA Rep, Mult 32,36,56
30.04 2 3cgxA IMD Rep, Mult 6,25,105
40.04 2 4mb2D ATP Rep, Mult 20,27
50.02 1 1rxcA R1P Rep, Mult 4,68
60.02 1 3g1bA MG Rep, Mult 139,199
70.02 1 3quiC ADP Rep, Mult 91,95,124
80.02 1 2colA POP Rep, Mult 6,13,170
90.02 1 3rbxA CA Rep, Mult 129,180
100.02 1 4fevD KAN Rep, Mult 2,4
110.02 1 3ue8A 09M Rep, Mult 41,91
120.02 1 4xk86 CLA Rep, Mult 27,30,31
130.02 1 2b0qA MG Rep, Mult 229,230
140.02 1 1sijA FES Rep, Mult 34,35,36,39,41,42,71,73
150.02 1 1sijA FES Rep, Mult 37,38,39,41,45,46,47
160.02 1 2wpnB SBY Rep, Mult 36,39,41,42,49,52,53
170.02 1 5ijeA ZN Rep, Mult 18,21
180.02 1 2v0nA GAV Rep, Mult 80,81
190.02 1 4dkiB BCT Rep, Mult 223,226
200.02 1 2gagA FMN Rep, Mult 26,27,33,66,68

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
10.0602efyA0.3755.480.0520.6062.5.1.47NA
20.0601yniB0.3816.240.0460.6773.5.3.23NA
30.0603cmmC0.3956.010.0450.6896.3.2.1922
40.0602e0wB0.3795.530.0490.5982.3.2.2NA
50.0601v6cB0.3746.270.0710.6613.4.21.-NA
60.0601fohC0.3786.190.0550.6451.14.13.7NA
70.0601oqzB0.3806.060.0520.6413.5.1.93NA
80.0602z8kD0.2604.820.0420.3742.3.2.239,107
90.0603dwbA0.3756.410.0350.6693.4.24.71NA
100.0601ddzA0.3815.370.0600.5944.2.1.1NA
110.0601vlbA0.3876.220.0520.6931.2.99.7NA
120.0601dgjA0.3796.380.0670.7011.2.-.-199
130.0601f2dA0.3916.020.0520.6733.5.99.710
140.0603g5sA0.3785.700.0380.6142.1.1.74221
150.0601uiqD0.3845.520.0380.6254.2.3.1NA
160.0601pn0C0.3865.910.0500.6411.14.13.7NA
170.0601yq2A0.3866.150.0400.6693.2.1.2367
180.0601uwkA0.3865.790.0450.6414.2.1.49NA
190.0601ve1A0.3106.430.0510.5702.5.1.47NA

(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
00.490.9530.640.460.961lfpA GO:0003677 GO:0005737 GO:0005829 GO:0006351 GO:0006355
10.420.6763.810.390.834f3qA GO:0003677 GO:0005737 GO:0005829 GO:0006351 GO:0006355
20.400.7422.490.260.851mw7A GO:0003677 GO:0005737 GO:0006351 GO:0006355
30.380.7483.130.410.921konA GO:0003677 GO:0005737 GO:0005829 GO:0006351 GO:0006355 GO:0010212
40.060.3045.840.030.514qflA GO:0043190 GO:0055085
50.060.3546.080.030.602zj8A GO:0000166 GO:0003676 GO:0003677 GO:0004386 GO:0005524 GO:0006281 GO:0006974 GO:0016787 GO:0016818
60.060.3176.050.060.533p2cA GO:0003824
70.060.3256.080.050.553on6A GO:0003824
80.060.2846.330.070.502bklB GO:0004252 GO:0006508 GO:0008236 GO:0070008
90.060.2595.310.070.403u27C GO:0005198 GO:0009605
100.060.2916.140.050.493j4aA GO:0019012 GO:0019028 GO:0019076 GO:0046718
110.060.2986.240.030.524q6xA GO:0006629 GO:0008081
120.060.3055.550.070.494b5nA GO:0000166 GO:0003824 GO:0003959 GO:0005829 GO:0010181 GO:0016491 GO:0042602 GO:0055114
130.060.2616.400.040.475a1vK GO:0000139 GO:0005179 GO:0005198 GO:0005576 GO:0005615 GO:0005737 GO:0005794 GO:0006810 GO:0006886 GO:0006888 GO:0006890 GO:0006891 GO:0015031 GO:0016020 GO:0016192 GO:0030117 GO:0030126 GO:0030157 GO:0030663 GO:0031410 GO:0070062
140.060.3196.220.060.563aquA GO:0004553 GO:0004568 GO:0005576 GO:0005618 GO:0005975 GO:0006032 GO:0008061 GO:0008843 GO:0009651 GO:0009737 GO:0009753 GO:0035885
150.060.3255.990.060.553d0cA GO:0003824 GO:0008152 GO:0016829
160.060.2765.680.060.463cjiA GO:0000166 GO:0001172 GO:0003723 GO:0003724 GO:0003968 GO:0004197 GO:0004386 GO:0005198 GO:0005216 GO:0005524 GO:0006351 GO:0006508 GO:0006810 GO:0006811 GO:0008233 GO:0008234 GO:0016020 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0019012 GO:0019028 GO:0019030 GO:0019062 GO:0030430 GO:0033644 GO:0034220 GO:0039694 GO:0039707 GO:0044161 GO:0044162 GO:0044385 GO:0046718 GO:0051259
170.060.2335.940.050.392fcaA GO:0006400 GO:0008033 GO:0008168 GO:0008176 GO:0016740 GO:0032259 GO:0036265 GO:0043527
180.060.1654.610.020.231wjoA GO:0003779 GO:0005509 GO:0005737 GO:0032420 GO:0042491 GO:0046872 GO:0060348


Consensus prediction of GO terms
 
Molecular Function GO:0003677
GO-Score 0.89
Biological Processes GO:0006355 GO:0010212
GO-Score 0.89 0.38
Cellular Component GO:0005829
GO-Score 0.82

(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.