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I-TASSER results for job id Rv2730

[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 2ro1A ZN Rep, Mult 28,40,67,70
20.06 3 1x11B III Rep, Mult 111,115
30.04 2 3ma2D CA Rep, Mult 60,62,63,64,66,94,97
40.04 2 4umoA K Rep, Mult 106,109,110
50.04 2 3j47V III Rep, Mult 116,120,123
60.04 2 1j95A TBA Rep, Mult 58,119
70.02 1 2xs4A III Rep, Mult 10,24,27,28,31,119
80.02 1 1ocyA ZN Rep, Mult 41,42
90.02 1 2fjcA FE Rep, Mult 122,126
100.02 1 3draB ZN Rep, Mult 105,114,150
110.02 1 3d5bF MG Rep, Mult 59,60,61
120.02 1 1xur0 III Rep, Mult 124,125,147,150,151,154,155
130.02 1 2xquC CVM Rep, Mult 121,124
140.02 1 1uk4A ATO Rep, Mult 28,41,42
150.02 1 4zb6A GDS Rep, Mult 74,110
160.02 1 3pyoE MG Rep, Mult 69,90
170.02 1 2xquB CVM Rep, Mult 117,121

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
10.1461aykA0.5414.240.0970.8483.4.24.7NA
20.1311eubA0.5663.960.0450.8423.4.24.-NA
30.1221hovA0.5494.280.0670.8543.4.24.24NA
40.1221bzsA0.5564.200.0880.8613.4.24.34NA
50.1191q3aB0.5544.140.0740.8543.4.24.22NA
60.1091rm8A0.5604.380.0620.8993.4.24.-NA
70.0771jizA0.5494.360.1020.8673.4.24.65NA
80.0664aykA0.5524.220.1110.8543.4.24.716,41,43,45,48
90.0601eakD0.5564.340.0860.8733.4.24.2447,60
100.0601vlcA0.5494.640.0720.8801.1.1.85NA
110.0601t09B0.5514.620.0470.9051.1.1.4259,68
120.0602jsdA0.5484.380.0430.8733.4.24.-NA
130.0601pb3A0.5474.300.0430.8421.1.1.42113,119
140.0602b0tA0.5634.500.0760.8991.1.1.4257
150.0601p8fA0.5484.270.0430.8421.1.1.42NA
160.0601l6jA0.5614.160.0650.8733.4.24.35NA
170.0601hv5E0.5484.280.0520.8483.4.24.-NA
180.0601gxdA0.5534.220.0580.8803.4.24.24NA
190.0602d1cA0.5424.440.0950.8481.1.1.42NA
200.0601itwB0.5674.500.0610.9181.1.1.42136
210.0601bqqM0.5724.190.0500.8923.4.24.80NA
220.0601vqwA0.5434.030.0590.8231.14.13.-NA
230.0603dmsA0.5484.400.0500.8541.1.1.42NA
240.0601ks0A0.1744.640.0190.2913.4.24.24NA
250.0601su3B0.5554.260.0960.8543.4.24.7NA
260.0602d4vA0.5404.070.0710.8041.1.1.42NA
270.0602ddyA0.5624.250.0860.8733.4.24.23126

(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
00.130.5524.200.090.861slmA GO:0004175 GO:0004222 GO:0004252 GO:0005509 GO:0005576 GO:0005578 GO:0005615 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0010727 GO:0016787 GO:0022617 GO:0030574 GO:0031012 GO:0032461 GO:0046872 GO:0071732 GO:1903209
10.120.5544.140.070.851q3aB GO:0004222 GO:0004252 GO:0005509 GO:0005576 GO:0005578 GO:0005615 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0022617 GO:0030334 GO:0030574 GO:0031012 GO:0046872
20.100.5564.200.090.861bzsA GO:0004222 GO:0004252 GO:0005509 GO:0005576 GO:0005578 GO:0005615 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0022617 GO:0030574 GO:0031012 GO:0035987 GO:0046872
30.090.5494.220.080.853ba0A GO:0004175 GO:0004222 GO:0004252 GO:0005509 GO:0005576 GO:0005578 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0014070 GO:0016787 GO:0022617 GO:0030574 GO:0031012 GO:0035313 GO:0042060 GO:0042493 GO:0046872 GO:0050679 GO:0060054
40.070.5604.380.060.901rm8A GO:0001503 GO:0001958 GO:0004222 GO:0005509 GO:0005576 GO:0005578 GO:0005796 GO:0005886 GO:0005887 GO:0006508 GO:0008047 GO:0008233 GO:0008237 GO:0008270 GO:0009986 GO:0016020 GO:0016021 GO:0016787 GO:0022617 GO:0030574 GO:0031012 GO:0035988 GO:0043085 GO:0046872 GO:0048701 GO:0060348 GO:0097094
50.070.5724.190.050.891bqqM GO:0001503 GO:0001525 GO:0001541 GO:0001666 GO:0001935 GO:0001958 GO:0004222 GO:0004252 GO:0005178 GO:0005509 GO:0005737 GO:0005796 GO:0005886 GO:0005887 GO:0005925 GO:0006508 GO:0006979 GO:0008233 GO:0008237 GO:0008270 GO:0008584 GO:0009612 GO:0009725 GO:0010831 GO:0010952 GO:0014070 GO:0016020 GO:0016021 GO:0016477 GO:0016504 GO:0016787 GO:0022617 GO:0030307 GO:0030324 GO:0030335 GO:0030574 GO:0031012 GO:0031410 GO:0031638 GO:0035987 GO:0035988 GO:0042470 GO:0043615 GO:0043627 GO:0044354 GO:0045579 GO:0045746 GO:0046872 GO:0048701 GO:0048754 GO:0048771 GO:0051895 GO:0060348 GO:0097094
60.070.5484.380.040.872jsdA GO:0004222 GO:0004252 GO:0005509 GO:0005576 GO:0005578 GO:0005615 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0022617 GO:0030163 GO:0030574 GO:0031012 GO:0046872 GO:0070173 GO:0097186
70.070.5304.540.090.872mzeA GO:0004222 GO:0004252 GO:0005576 GO:0005578 GO:0005615 GO:0006508 GO:0007568 GO:0008201 GO:0008233 GO:0008237 GO:0008270 GO:0009986 GO:0016787 GO:0022617 GO:0030574 GO:0031012 GO:0031667 GO:0044849 GO:0046872 GO:0060135 GO:0070062 GO:0071260
80.070.5644.170.090.874r3vA GO:0004222 GO:0005576 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0009405 GO:0016787 GO:0031012 GO:0046872
90.070.5484.280.050.851hv5E GO:0004222 GO:0005509 GO:0005576 GO:0005578 GO:0006508 GO:0007275 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0030198 GO:0030199 GO:0030574 GO:0031012 GO:0045599 GO:0046872 GO:0071711
100.070.5434.240.090.843lmcA GO:0006508 GO:0008237 GO:0008270 GO:0046872
110.070.5534.220.060.881gxdA GO:0001525 GO:0001666 GO:0001955 GO:0001957 GO:0004222 GO:0004252 GO:0005576 GO:0005578 GO:0005615 GO:0005634 GO:0005737 GO:0005739 GO:0005886 GO:0006508 GO:0007566 GO:0008233 GO:0008237 GO:0008270 GO:0016020 GO:0016787 GO:0022617 GO:0030017 GO:0030574 GO:0031012 GO:0035987 GO:0044267 GO:0045089 GO:0046872 GO:0048013 GO:0048705 GO:0060325 GO:0060346 GO:0071230
120.070.5734.470.070.911itwA GO:0004450 GO:0005737 GO:0006097 GO:0006099 GO:0016491 GO:0016616 GO:0046872 GO:0055114
130.070.5544.130.040.854fu4A GO:0001503 GO:0001554 GO:0001649 GO:0001666 GO:0001958 GO:0001968 GO:0003417 GO:0004222 GO:0004252 GO:0005509 GO:0005518 GO:0005576 GO:0005578 GO:0005615 GO:0005764 GO:0005794 GO:0006508 GO:0007507 GO:0007567 GO:0008233 GO:0008237 GO:0008270 GO:0009612 GO:0016787 GO:0022617 GO:0030282 GO:0030574 GO:0031012 GO:0035116 GO:0042493 GO:0043171 GO:0043627 GO:0044267 GO:0044849 GO:0046581 GO:0046872 GO:0048306 GO:0050750 GO:0051216 GO:0060349 GO:0071498 GO:1904244
140.070.5374.290.040.821af0A GO:0004222 GO:0005509 GO:0005576 GO:0005615 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0009405 GO:0016787 GO:0031012 GO:0046872
150.070.5224.120.040.773hdaP GO:0004222 GO:0005509 GO:0005576 GO:0005615 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0031012 GO:0046872
160.070.5524.260.070.875cuhA GO:0001501 GO:0001503 GO:0001934 GO:0004175 GO:0004222 GO:0004252 GO:0005518 GO:0005576 GO:0005578 GO:0005615 GO:0006508 GO:0007566 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0022617 GO:0030198 GO:0030225 GO:0030574 GO:0031012 GO:0035987 GO:0042802 GO:0043065 GO:0043066 GO:0043388 GO:0045742 GO:0046872 GO:0048013 GO:0050900 GO:0051549 GO:0070062 GO:0090200 GO:1900122 GO:2001243 GO:2001258 GO:2001268
170.070.5534.250.090.863ayuA GO:0001525 GO:0001666 GO:0001955 GO:0001957 GO:0004222 GO:0004252 GO:0005576 GO:0005578 GO:0005615 GO:0005634 GO:0005737 GO:0005739 GO:0005886 GO:0006508 GO:0007566 GO:0008233 GO:0008237 GO:0008270 GO:0016020 GO:0016787 GO:0022617 GO:0030017 GO:0030574 GO:0031012 GO:0035987 GO:0044267 GO:0045089 GO:0046872 GO:0048013 GO:0048705 GO:0060325 GO:0060346 GO:0071230
180.070.5554.260.100.851su3B GO:0004175 GO:0004222 GO:0004252 GO:0005509 GO:0005576 GO:0005578 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0016032 GO:0016787 GO:0022617 GO:0030574 GO:0031012 GO:0032461 GO:0044267 GO:0046872 GO:0050900


Consensus prediction of GO terms
 
Molecular Function GO:0004222 GO:0005509 GO:0008270 GO:0004252
GO-Score 0.41 0.41 0.41 0.37
Biological Processes GO:0030574 GO:0022617 GO:0006508
GO-Score 0.41 0.41 0.41
Cellular Component GO:0005578 GO:0005615
GO-Score 0.41 0.31

(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.