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

I-TASSER results for job id Rv2025c

[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
10.29 8 2x171 AG Rep, Mult 76,80,188
20.07 2 2qfiB ZN Rep, Mult 262,275,316,320
30.03 1 2qfiB ZN Rep, Mult 314,316
40.03 1 3h90A ZN Rep, Mult 99,102,106
50.02 1 3wmm7 CRT Rep, Mult 215,225
60.02 1 3jcuB CLA Rep, Mult 108,112,236,237
70.02 1 1kprA III Rep, Mult 62,210
80.02 1 2c41G CL Rep, Mult 108,112
90.02 1 1ibk2 III Rep, Mult 167,168,170,171,175
100.02 1 5erjA CPT Rep, Mult 83,184
110.02 1 1hnz2 III Rep, Mult 281,291,315,316,317,318
120.02 1 4ispA FE Rep, Mult 62,73,77,156,159,191
130.02 1 1l0l5 III Rep, Mult 88,89,114,121,125

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
10.0602vuaA0.3226.740.0550.5543.4.24.69127
20.0601mo7A0.2206.060.0310.3493.6.3.9155
30.0603kvnX0.3576.780.0520.6113.1.1.173
40.0602vumA0.2856.180.0300.4462.7.7.657
50.0601yguB0.3736.450.0470.6243.1.3.48185
60.0602pziA0.3556.390.0660.5752.7.11.1NA
70.0603b8eA0.3096.850.0500.5393.6.3.9NA
80.0602gv9B0.3796.640.0260.6352.7.7.7220,224
90.0602o1xB0.3556.410.0570.5902.2.1.7NA
100.0601pn0C0.3685.950.0580.5721.14.13.7NA
110.0602jjdF0.3606.670.0410.6263.1.3.48111
120.0603g61A0.4046.710.0710.7023.6.3.44NA
130.0603e04D0.3555.230.0350.5004.2.1.2213,220
140.0603eqlD0.3716.350.0500.6082.7.7.690,182
150.0603btaA0.3616.480.0390.5993.4.24.69NA
160.0603no9A0.3545.320.0790.5124.2.1.283
170.0601br2A0.3316.290.0410.5363.6.1.32NA
180.0603b8eC0.3107.020.0290.5423.6.3.972,163
190.0601fohC0.3296.540.0290.5451.14.13.7NA

(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
00.430.8581.380.220.893j1zP GO:0005886 GO:0006810 GO:0006812 GO:0008324 GO:0010043 GO:0015086 GO:0015093 GO:0015341 GO:0015684 GO:0016020 GO:0016021 GO:0055085 GO:0061088 GO:0070574 GO:0071577 GO:1903874
10.320.6034.040.100.762qfiA GO:0005215 GO:0005886 GO:0006810 GO:0006811 GO:0006812 GO:0006829 GO:0006876 GO:0006882 GO:0008324 GO:0010043 GO:0015086 GO:0015093 GO:0015341 GO:0015684 GO:0015691 GO:0016020 GO:0016021 GO:0046873 GO:0055072 GO:0055085 GO:0061088 GO:0070574 GO:0071577 GO:0098655 GO:1903874
20.070.4395.830.060.694hg6A GO:0000166 GO:0006011 GO:0016020 GO:0016021 GO:0016740 GO:0016757 GO:0016759 GO:0016760 GO:0030244 GO:0035438
30.060.4204.810.050.565azpB GO:0005215 GO:0006810 GO:0008289 GO:0009279 GO:0016020 GO:0016021
40.060.4144.990.070.561yc9A GO:0005215 GO:0006810 GO:0006855 GO:0008289 GO:0009279 GO:0016020 GO:0016021 GO:0042493
50.060.4055.180.030.574k7rA GO:0005215 GO:0005375 GO:0005507 GO:0006810 GO:0006811 GO:0006878 GO:0008289 GO:0009279 GO:0010272 GO:0010273 GO:0015288 GO:0016020 GO:0016021 GO:0018345 GO:0019992 GO:0046688 GO:0046930 GO:0060003 GO:0070207
60.060.4204.950.060.574mt0A GO:0005215 GO:0005886 GO:0006810 GO:0008289 GO:0016020 GO:0016021
70.060.4075.280.030.585azsC GO:0005215 GO:0006810 GO:0008289 GO:0009279 GO:0016020 GO:0016021 GO:0046677
80.060.3975.330.040.571wp1B GO:0005215 GO:0006810 GO:0006855 GO:0008289 GO:0009279 GO:0015238 GO:0016020 GO:0016021 GO:0046677
90.060.3935.320.040.564mt4B GO:0005215 GO:0005886 GO:0006810 GO:0008289 GO:0016020 GO:0016021
100.060.3885.380.060.554y1kA GO:0005215 GO:0006810 GO:0006855 GO:0008289 GO:0009279 GO:0015238 GO:0016020 GO:0016021 GO:0046677
110.060.3316.210.040.524k34B GO:0005215 GO:0005375 GO:0005507 GO:0006810 GO:0006811 GO:0006878 GO:0008289 GO:0009279 GO:0010272 GO:0010273 GO:0015288 GO:0016020 GO:0016021 GO:0018345 GO:0019992 GO:0046688 GO:0046930 GO:0060003 GO:0070207
120.060.3376.150.030.534k34A GO:0005215 GO:0005375 GO:0005507 GO:0006810 GO:0006811 GO:0006878 GO:0008289 GO:0009279 GO:0010272 GO:0010273 GO:0015288 GO:0016020 GO:0016021 GO:0018345 GO:0019992 GO:0046688 GO:0046930 GO:0060003 GO:0070207
130.060.2576.050.070.402qe7G GO:0005524 GO:0005886 GO:0006754 GO:0006810 GO:0006811 GO:0015986 GO:0015992 GO:0016020 GO:0042777 GO:0045261 GO:0046933 GO:0046961
140.060.2536.830.040.441yxaA GO:0004867 GO:0005576 GO:0005615 GO:0006953 GO:0010466 GO:0010951 GO:0030414 GO:0034097 GO:0043434 GO:0070062 GO:0072562
150.060.2566.080.070.402hpsA GO:0005509 GO:0046872
160.060.2796.520.030.483v76A GO:0016491 GO:0055114
170.060.2656.200.060.435b6oA GO:0000166 GO:0000175 GO:0001172 GO:0003676 GO:0003723 GO:0003725 GO:0003727 GO:0003968 GO:0004197 GO:0004386 GO:0004482 GO:0004483 GO:0004518 GO:0004519 GO:0004527 GO:0005524 GO:0006351 GO:0006370 GO:0006508 GO:0008168 GO:0008233 GO:0008234 GO:0008242 GO:0008270 GO:0016020 GO:0016021 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0016788 GO:0016817 GO:0016896 GO:0019079 GO:0019082 GO:0019083 GO:0030430 GO:0030683 GO:0032259 GO:0033644 GO:0036265 GO:0036459 GO:0039502 GO:0039503 GO:0039519 GO:0039520 GO:0039549 GO:0039579 GO:0039595 GO:0039604 GO:0039644 GO:0039648 GO:0039657 GO:0039690 GO:0039694 GO:0039714 GO:0044172 GO:0044220 GO:0046872 GO:0071108 GO:0080009 GO:0090305 GO:0090503 GO:1990380 GO:2000158
180.060.2435.010.050.351cydA GO:0004090 GO:0005739 GO:0005759 GO:0006116 GO:0016491 GO:0043621 GO:0051262 GO:0055114


Consensus prediction of GO terms
 
Molecular Function GO:0015093 GO:0015341 GO:0015086
GO-Score 0.61 0.61 0.61
Biological Processes GO:0070574 GO:0010043 GO:1903874 GO:0061088 GO:0071577 GO:0006876 GO:0055072
GO-Score 0.61 0.61 0.61 0.61 0.61 0.32 0.32
Cellular Component GO:0016021 GO:0005886
GO-Score 0.69 0.61

(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.