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

I-TASSER results for job id Rv3690

[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
10.11 6 1f59B III Rep, Mult 116,119,120,123,124,185,186
20.06 3 4qi1B MPG Rep, Mult 64,67,93,100
30.04 2 1fbmA RTL Rep, Mult 90,97,100
40.04 2 2ie7A CA Rep, Mult 140,142
50.04 2 3obvC SUC Rep, Mult 146,147,150
60.02 1 2wy2A PO3 Rep, Mult 62,120
70.02 1 4evtA URE Rep, Mult 152,193,197
80.02 1 3ue8A 09M Rep, Mult 140,173
90.02 1 3k7tA GP7 Rep, Mult 52,53
100.02 1 2z38A CL Rep, Mult 174,178,182
110.02 1 4tt0B IOD Rep, Mult 98,99,102
120.02 1 3t1gA ZN Rep, Mult 27,32
130.02 1 4rkuL CLA Rep, Mult 61,65
140.02 1 1iw7P MG Rep, Mult 118,122
150.02 1 1vdfB CL Rep, Mult 97,100
160.02 1 2ia5C MG Rep, Mult 188,190
170.02 1 1f59A III Rep, Mult 31,34,35,38,39,89,92,96

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
10.0661ujkB0.4583.740.0740.6223.4.23.46NA
20.0602pflA0.4955.180.0610.8022.3.1.54184
30.0601e1eB0.4565.030.0450.6963.2.1.21NA
40.0602vuaA0.2826.140.0350.4983.4.24.69NA
50.0602cerA0.5025.260.0810.7933.2.1.23NA
60.0601v03A0.5135.130.0710.8113.2.1.21NA
70.0601h54B0.5514.750.0750.8252.4.1.8NA
80.0601r76A0.5175.470.0740.8394.2.2.2NA
90.0601ayxA0.5404.900.0590.8253.2.1.3NA
100.0603c5wA0.5273.590.0780.7053.1.3.1666
110.0601kktA0.4974.720.0790.7603.2.1.113NA
120.0601gonA0.5184.980.1100.7883.2.1.21176
130.0601ho8A0.5583.750.0770.7563.6.3.1495,154,161
140.0602jf6B0.5275.070.0600.8113.2.1.105NA
150.0601bgaA0.5184.920.0560.7793.2.1.21NA
160.0601h16A0.5035.350.0610.8252.3.1.54NA
170.0602gtqA0.5044.690.0800.7563.4.11.2NA
180.0603eqoA0.5015.140.0790.8063.2.1.58NA
190.0601gowA0.5015.170.0860.7833.2.1.23NA
200.0603btaA0.5064.860.0400.7513.4.24.69NA

(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
00.190.6044.590.040.914uvkA GO:0000755 GO:0003682 GO:0005634 GO:0005829 GO:0006473 GO:0007064 GO:0009847 GO:0031505 GO:0031618 GO:0031934 GO:0034990 GO:1990707
10.180.6403.370.060.824u1dA GO:0000131 GO:0001731 GO:0002188 GO:0003743 GO:0005737 GO:0005852 GO:0006412 GO:0006413 GO:0006446 GO:0010494 GO:0016282 GO:0033290 GO:0043614
20.140.6423.390.120.823j8bA GO:0001731 GO:0001732 GO:0003743 GO:0005198 GO:0005634 GO:0005730 GO:0005737 GO:0005829 GO:0005852 GO:0006412 GO:0006413 GO:0006446 GO:0016020 GO:0016282 GO:0033290 GO:0044822 GO:0071541 GO:0075522 GO:0075525
30.100.6423.230.060.825a5tA GO:0001731 GO:0001732 GO:0003743 GO:0005634 GO:0005730 GO:0005737 GO:0005852 GO:0006412 GO:0006413 GO:0006446 GO:0016020 GO:0016282 GO:0033290 GO:0044822 GO:0071541
40.070.6344.090.050.874by6A GO:0046872
50.070.5924.480.070.845fu7A GO:0000122 GO:0000289 GO:0000932 GO:0004535 GO:0005615 GO:0005634 GO:0005737 GO:0005778 GO:0005829 GO:0006351 GO:0006355 GO:0006417 GO:0006977 GO:0007275 GO:0010606 GO:0016020 GO:0017148 GO:0019904 GO:0030014 GO:0030015 GO:0030331 GO:0031047 GO:0032947 GO:0033147 GO:0035195 GO:0042974 GO:0043231 GO:0044822 GO:0048387 GO:0060213 GO:0061014 GO:0070016 GO:0090503 GO:1900153 GO:2000036
60.060.4275.520.040.713renA GO:0003824 GO:0004553 GO:0005975 GO:0016020 GO:0016021 GO:0016787
70.060.3804.740.060.582y4uA GO:0004860 GO:0005737 GO:0005783 GO:0005788 GO:0005790 GO:0005829 GO:0006417 GO:0006986 GO:0016020 GO:0019901 GO:0031205 GO:0036494 GO:0036498 GO:0043066 GO:0051087 GO:0051603 GO:0051607 GO:0051787 GO:0070062 GO:0070417 GO:1903561 GO:1903912 GO:1904030
80.060.4064.900.050.603l0oA GO:0000166 GO:0003676 GO:0003723 GO:0004386 GO:0005524 GO:0006351 GO:0006353 GO:0006355 GO:0008186 GO:0016787
90.060.3555.430.040.574xb1A GO:0004412 GO:0006520 GO:0016491 GO:0050661 GO:0055114
100.060.3605.070.040.573wwpA GO:0016829 GO:0046872
110.060.3544.610.040.541n0rA
120.060.2855.940.050.495jj6B GO:0000166 GO:0005524 GO:0016020 GO:0016021 GO:0016740 GO:0016779 GO:0018117 GO:0070733
130.060.3185.040.040.504hea5 GO:0005886 GO:0006810 GO:0008137 GO:0016020 GO:0016491 GO:0016651 GO:0048038 GO:0050136 GO:0055114
140.060.3145.680.030.542cuzA GO:0000049 GO:0000166 GO:0004812 GO:0004818 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006424 GO:0016874 GO:0016876 GO:0043039
150.060.3115.670.010.534p3lA GO:0006810 GO:0008643 GO:0030288 GO:0042597
160.060.3045.450.070.504p7kA GO:0000287 GO:0005737 GO:0005739 GO:0005829 GO:0005886 GO:0006584 GO:0007565 GO:0007612 GO:0007614 GO:0008168 GO:0008171 GO:0008210 GO:0009712 GO:0014070 GO:0016020 GO:0016021 GO:0016036 GO:0016206 GO:0016740 GO:0030424 GO:0030425 GO:0032259 GO:0032496 GO:0032502 GO:0035814 GO:0042135 GO:0042417 GO:0042420 GO:0042493 GO:0043197 GO:0044297 GO:0045211 GO:0045963 GO:0046498 GO:0046500 GO:0046872 GO:0048265 GO:0048609 GO:0048662 GO:0050668 GO:0051930 GO:0070062
170.060.3003.960.030.414k51B GO:0000131 GO:0001731 GO:0002188 GO:0003743 GO:0005737 GO:0005852 GO:0006412 GO:0006413 GO:0006446 GO:0010494 GO:0016282 GO:0033290 GO:0043614
180.060.2815.440.030.424k3vB GO:0006810 GO:0007155 GO:0030001 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0044877 GO:0003743
GO-Score 0.38 0.37
Biological Processes GO:0002183 GO:0071555 GO:0043543 GO:0000070 GO:0000747 GO:0032502 GO:0071852 GO:0022413 GO:0007062 GO:0006446 GO:0001731
GO-Score 0.46 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.37 0.37
Cellular Component GO:0005721 GO:0000798 GO:0030892 GO:1990421 GO:0005720 GO:0005852 GO:0016282 GO:0033290 GO:0036464 GO:0005829
GO-Score 0.38 0.38 0.38 0.38 0.38 0.37 0.37 0.37 0.36 0.30

(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.