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I-TASSER results for job id Rv0877

[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
10.07 5 4m8lC ARF Rep, Mult 181,184,185
20.06 4 3i04B SF4 Rep, Mult 196,199,211
30.03 2 1vk6A ZN Rep, Mult 191,194,211,228
40.03 2 1focA HEM Rep, Mult 191,194
50.03 2 1jqkA SF4 Rep, Mult 160,161,163,164,180,210
60.03 2 3oojC GLU Rep, Mult 65,66,68,124,125,129
70.03 2 1shkA MG Rep, Mult 214,217
80.01 1 2a68O MG Rep, Mult 91,96
90.01 1 1su6A SF4 Rep, Mult 166,168,170,183
100.01 1 2ypaB NUC Rep, Mult 29,32
110.01 1 1o5qA MG Rep, Mult 159,224
120.01 1 1mjgA SF4 Rep, Mult 79,80,83,84,85,114
130.01 1 2z8yC SF4 Rep, Mult 83,88,91
140.01 1 1oaoA SF4 Rep, Mult 66,78,85,256
150.01 1 5ioeB ZN Rep, Mult 25,29
160.01 1 1dxeA MG Rep, Mult 91,122
170.01 1 3tdvA MG Rep, Mult 231,249
180.01 1 3fyuC XYP Rep, Mult 232,233
190.01 1 3uilB DAO Rep, Mult 34,35
200.01 1 4toqA MG Rep, Mult 187,216

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
10.0603dy5A0.3916.390.0480.6951.13.11.40,4.2.1.92NA
20.0601pj6A0.4176.020.0680.7021.5.3.10NA
30.0602nlkA0.3906.320.0280.6833.1.3.48NA
40.0602et6A0.4016.060.0420.6761.1.1.-NA
50.0601vlbA0.3696.360.0370.6601.2.99.7164
60.0601larA0.4046.300.0680.7023.1.3.48NA
70.0602q28A0.3965.260.0650.5884.1.1.871
80.0601jqkF0.4355.690.0520.7061.2.99.2203
90.0602ow6A0.3956.370.0390.6953.2.1.11446
100.0601gz3A0.4095.390.0560.6491.1.1.38NA
110.0603cskA0.3946.220.0500.6833.4.14.4NA
120.0603fg3A0.3306.500.0280.5994.2.1.92,1.13.11.40NA
130.0603l4uA0.4355.660.0430.7023.2.1.20,3.2.1.3184,188,197
140.0602x0sA0.3885.730.0410.6222.7.9.1NA
150.0601o0sA0.3945.730.0620.6451.1.1.38NA
160.0602q5lA0.3905.450.0780.5884.1.1.74,4.1.1.43NA
170.0602j5wA0.3966.040.0340.6761.16.3.1NA
180.0602zuwC0.4135.800.0580.6762.4.1.211182
190.0602fh7A0.3096.090.0400.5343.1.3.48176

(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
00.130.7283.930.110.891yt8A GO:0004792 GO:0016740
10.060.3805.820.050.613ippB GO:0004792 GO:0016740 GO:0016783 GO:0042597
20.060.3274.720.060.451h4kX GO:0004792 GO:0005737 GO:0016740
30.060.3285.150.060.491uarA GO:0004792 GO:0016740
40.060.3274.560.040.463hzuA GO:0004792 GO:0005618 GO:0005829 GO:0005886 GO:0016740
50.060.3375.740.050.534jgtA GO:0001822 GO:0001889 GO:0004792 GO:0005737 GO:0005739 GO:0005829 GO:0009440 GO:0009636 GO:0016740 GO:0016784 GO:0019346 GO:0021510 GO:0030054 GO:0042802 GO:0043005 GO:0045202 GO:0070062 GO:0070814
60.060.3235.080.080.483p3aA GO:0004792 GO:0016740
70.060.3014.180.020.392eg4A GO:0004792 GO:0016740 GO:0046872
80.060.3016.040.050.511fg3A GO:0000105 GO:0003824 GO:0004400 GO:0005829 GO:0008152 GO:0008483 GO:0008652 GO:0009058 GO:0016740 GO:0030170 GO:0042802 GO:0080130
90.060.2953.060.080.351gn0A GO:0004792 GO:0005737 GO:0006071 GO:0016740
100.060.3925.560.050.614qq8C GO:0000287 GO:0003824 GO:0016829 GO:0030976 GO:0046872
110.060.2843.120.050.343d1pA GO:0004792 GO:0005739 GO:0016740
120.060.3405.220.030.513tp9A GO:0046872
130.060.3225.490.030.501urhA GO:0004792 GO:0005737 GO:0005829 GO:0016740 GO:0016784 GO:0046677
140.060.2793.200.090.342moiA GO:0004792 GO:0005886 GO:0005887 GO:0016020 GO:0016021
150.060.1986.810.030.373zpyA GO:0016829 GO:0045135
160.060.2796.890.040.531k3vA GO:0005198 GO:0016032 GO:0019012 GO:0019028 GO:0019062 GO:0039615 GO:0039665 GO:0042025 GO:0046718 GO:0046872 GO:0075509 GO:0075512 GO:0075521 GO:0075606 GO:0075732
170.060.2564.020.050.351t3kA GO:0004721 GO:0004725 GO:0005634 GO:0005739 GO:0006468 GO:0006470 GO:0007049 GO:0007067 GO:0009507 GO:0016491 GO:0016787 GO:0035335 GO:0046685 GO:0046872 GO:0051301 GO:0055114
180.060.2342.070.070.262jtqA GO:0004792 GO:0016740 GO:0030288 GO:0042597


Consensus prediction of GO terms
 
Molecular Function GO:0004792
GO-Score 0.33
Biological Processes
GO-Score
Cellular Component GO:0005886 GO:0042597 GO:0005829 GO:0005618
GO-Score 0.06 0.06 0.06 0.06

(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.