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

I-TASSER results for job id Rv2123

[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
10.08 4 3gp4A MED Rep, Mult 96,100
20.04 2 3j0aB FUC Rep, Mult 116,120
30.04 2 3ar3A PTY Rep, Mult 147,150,154,158
40.04 2 5hhjA GLY Rep, Mult 146,149
50.02 1 2g38B MN Rep, Mult 152,155,156
60.02 1 2w0sB BVP Rep, Mult 27,31,34
70.02 1 3ag3A PEK Rep, Mult 94,98,251
80.02 1 3iilA MG Rep, Mult 11,12
90.02 1 2agvA BHQ Rep, Mult 115,139,143,146,147
100.02 1 1izlA CLA Rep, Mult 85,86
110.02 1 2xquC CVM Rep, Mult 78,79,82,83
120.02 1 2q68A CA Rep, Mult 130,132
130.02 1 1lghA DET Rep, Mult 38,45
140.02 1 3k3wA CA Rep, Mult 132,140
150.02 1 4m9vC MPD Rep, Mult 93,96
160.02 1 2wqyD CBE Rep, Mult 142,143
170.02 1 3fgoB CZA Rep, Mult 119,120,123,135,139,140
180.02 1 3k71E UUU Rep, Mult 164,176,178,180
190.02 1 3zciA BU9 Rep, Mult 76,79
200.02 1 3tomB ZN Rep, Mult 81,85

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
10.0603ecqB0.3077.470.0370.5223.2.1.97NA
20.0601j3uA0.3056.830.0530.4764.3.1.1171
30.0603g61A0.3276.290.0680.4823.6.3.44117,145,167
40.0602pdaA0.2807.370.0300.4651.2.7.1105
50.0602ztgA0.3157.750.0850.5436.1.1.739
60.0601n1hA0.3037.270.0380.5032.7.7.48NA
70.0601ea0A0.3067.060.0620.4931.4.1.13264
80.0603b8eC0.3767.420.0580.6243.6.3.9151
90.0601z0hB0.2586.730.0270.4003.4.24.69116,138,148
100.0601eulA0.2767.890.0440.4863.6.3.8NA
110.0601mhsA0.3187.390.0520.5243.6.3.6NA
120.0602jlzB0.2517.150.0470.4083.4.21.91110,144
130.0603lxuX0.3187.670.0170.5433.4.14.10104,115,203
140.0602np0A0.3327.570.0430.5673.4.24.69145
150.0602vdcF0.2897.830.0400.5071.4.1.1325,95
160.0601e6yA0.3086.970.0740.4902.8.4.1247
170.0603b8eA0.3747.340.0500.6133.6.3.9NA
180.0602eabA0.3147.440.0350.5283.2.1.63NA
190.0601kv3A0.2667.190.0240.4332.3.2.13NA

(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
00.160.7763.750.080.894ut1A GO:0005198 GO:0009424 GO:0044780
10.070.6024.240.080.732d4yA GO:0005198 GO:0005576 GO:0009288 GO:0009424 GO:0044780 GO:0071973
20.060.3767.350.040.623a3yA GO:0000166 GO:0005391 GO:0005524 GO:0006810 GO:0006811 GO:0006813 GO:0006814 GO:0010248 GO:0016020 GO:0016021 GO:0016787 GO:0046872 GO:0090662
30.060.3827.320.040.623ixzA GO:0000166 GO:0000287 GO:0005391 GO:0005524 GO:0005886 GO:0005887 GO:0006810 GO:0006811 GO:0006813 GO:0006814 GO:0006883 GO:0008900 GO:0010107 GO:0010248 GO:0015991 GO:0015992 GO:0016020 GO:0016021 GO:0016787 GO:0030007 GO:0036376 GO:0043231 GO:0046872
40.060.3747.340.050.613b8eA GO:0000166 GO:0002028 GO:0005391 GO:0005524 GO:0005886 GO:0005890 GO:0006810 GO:0006811 GO:0006813 GO:0006814 GO:0006883 GO:0010107 GO:0010248 GO:0015991 GO:0016020 GO:0016021 GO:0016787 GO:0030007 GO:0030955 GO:0031402 GO:0036376 GO:0042383 GO:0043231 GO:0046872 GO:0051117 GO:0086009 GO:0090662 GO:1990573
50.060.2717.700.060.463b8cA GO:0000166 GO:0000287 GO:0005524 GO:0005886 GO:0005887 GO:0006754 GO:0006810 GO:0006811 GO:0008553 GO:0015991 GO:0015992 GO:0016020 GO:0016021 GO:0016787 GO:0016887 GO:0046872 GO:0051453
60.060.3127.250.030.503w5bA GO:0000166 GO:0005388 GO:0005509 GO:0005524 GO:0005783 GO:0005789 GO:0005793 GO:0006810 GO:0006811 GO:0006816 GO:0006942 GO:0016020 GO:0016021 GO:0016529 GO:0016787 GO:0031448 GO:0031673 GO:0031674 GO:0033017 GO:0045988 GO:0046872 GO:0048471 GO:0070588
70.060.2518.010.030.454n0rA GO:0005975
80.060.2637.340.040.434bbjA GO:0000166 GO:0005886 GO:0006812 GO:0016020 GO:0016021 GO:0016787 GO:0019829 GO:0046872 GO:0098655
90.060.2798.150.050.513j09A GO:0000166 GO:0005507 GO:0005524 GO:0005886 GO:0006810 GO:0006811 GO:0006812 GO:0006825 GO:0016020 GO:0016021 GO:0016787 GO:0019829 GO:0030001 GO:0046872 GO:0098655
100.060.3187.390.050.521mhsA GO:0000166 GO:0005524 GO:0005886 GO:0005887 GO:0006754 GO:0006810 GO:0006811 GO:0008553 GO:0015992 GO:0016020 GO:0016021 GO:0016787 GO:0016887 GO:0043231 GO:0046872 GO:0051453 GO:1902600
110.060.2487.300.050.412wssA 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
120.060.2266.310.070.341n8pA GO:0003824 GO:0003962 GO:0004123 GO:0005737 GO:0008652 GO:0016829 GO:0019343 GO:0019344 GO:0019346 GO:0030170 GO:0042802 GO:0044540 GO:0071266 GO:0080146
130.060.2326.770.050.353peiA GO:0004177 GO:0005622 GO:0005737 GO:0006508 GO:0008233 GO:0008235 GO:0016787 GO:0019538 GO:0030145 GO:0046872
140.060.2467.070.050.404umvA GO:0000166 GO:0005886 GO:0006812 GO:0016020 GO:0016021 GO:0016787 GO:0019829 GO:0030001 GO:0046872 GO:0098655
150.060.2417.290.060.404c0qA GO:0004872 GO:0005634 GO:0005737 GO:0006810 GO:0008139 GO:0008565 GO:0015031 GO:0031965 GO:0035048 GO:0042802 GO:0043231
160.060.2207.090.030.352aekA GO:0016106 GO:0016829 GO:0045482
170.060.1956.680.040.312ayxA GO:0000155 GO:0000160 GO:0000166 GO:0004673 GO:0004871 GO:0005524 GO:0005622 GO:0005886 GO:0005887 GO:0006355 GO:0007165 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0018106 GO:0023014 GO:0044010 GO:0046777 GO:0071470
180.060.2257.240.040.373v7dB GO:0000082 GO:0000086 GO:0004842 GO:0005634 GO:0007049 GO:0007067 GO:0007126 GO:0016363 GO:0016567 GO:0019005 GO:0030435 GO:0031146 GO:0042787 GO:0043130 GO:0043224 GO:0050815 GO:0051301 GO:0061630


Consensus prediction of GO terms
 
Molecular Function GO:0008556 GO:0015081 GO:0032550 GO:0043169 GO:0035639 GO:0032559
GO-Score 0.36 0.36 0.36 0.36 0.36 0.36
Biological Processes GO:0070925 GO:0030031 GO:0044781 GO:0034220 GO:0015672 GO:0030001
GO-Score 0.44 0.44 0.44 0.36 0.36 0.36
Cellular Component GO:0044461
GO-Score 0.44

(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.