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I-TASSER results for job id Rv2743c

[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
10.05 3 3hb3A CA Rep, Mult 205,208,212,213
20.04 2 5ezmA MPG Rep, Mult 29,69
30.03 2 1f59A III Rep, Mult 60,63,64,67,68,134,138
40.03 2 4z9hA ASP Rep, Mult 45,49
50.03 2 4qi1B MPG Rep, Mult 62,65,95,102
60.03 2 4ea0A MG Rep, Mult 17,20,24
70.03 2 3nteA FE Rep, Mult 156,159
80.03 2 5csdA ACD Rep, Mult 73,86,92,96,139,163,164,167,171,173,174,177,190,197
90.02 1 3f1eT MG Rep, Mult 126,131
100.02 1 2bf0X CA Rep, Mult 247,250
110.02 1 2bptA III Rep, Mult 192,195,196,199,200,250,253
120.02 1 1o6pB III Rep, Mult 67,71,139,142,143
130.02 1 5da5A GOA Rep, Mult 95,135
140.02 1 3fk7A 4DM Rep, Mult 260,264
150.02 1 3rkoL LFA Rep, Mult 28,31,32,66
160.02 1 2x4hB ZN Rep, Mult 139,180
170.02 1 3dtuC DMU Rep, Mult 64,67,68,71
180.02 1 3omiC TRD Rep, Mult 38,41,45
190.02 1 5l8gB CA Rep, Mult 194,227,230
200.02 1 2b05E III Rep, Mult 40,41,93,94,97,166,169,173,177

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
10.0601m56A0.5075.450.0310.7961.9.3.1NA
20.0601s4bP0.4564.920.0570.6593.4.24.15243
30.0601dl2A0.4884.950.0340.7303.2.1.113NA
40.0602o36A0.4584.910.0570.6563.4.24.15NA
50.0601fp3A0.4665.390.0460.7115.1.3.893
60.0601ihgA0.4614.850.0530.6565.2.1.8NA
70.0601h54B0.4504.710.0350.6442.4.1.8NA
80.0601f1sA0.4955.530.0380.7784.2.2.1NA
90.0601ho8A0.4814.490.0440.6673.6.3.14191,196,246
100.0603c5wA0.4454.520.1240.6153.1.3.16174
110.0601w6jA0.4615.870.0650.7375.4.99.7NA
120.0601ayxA0.4675.120.0600.6783.2.1.3NA
130.0601i1iP0.4635.130.0400.6813.4.24.16NA
140.0602vn7A0.4825.480.0800.7483.2.1.3NA
150.0602q1fA0.4915.470.0400.7524.2.2.21109,168
160.0602f6dA0.4695.450.0550.7263.2.1.3NA
170.0601nxcA0.4485.240.0510.6853.2.1.113NA
180.0601qd1B0.3195.570.0560.5002.1.2.5,4.3.1.4NA
190.0602pfdB0.4675.290.0340.6962.1.2.5,4.3.1.4147,164,198

(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
00.300.5643.900.040.743gb8A GO:0000055 GO:0000056 GO:0000122 GO:0000776 GO:0003723 GO:0005215 GO:0005487 GO:0005634 GO:0005635 GO:0005642 GO:0005654 GO:0005730 GO:0005737 GO:0005829 GO:0006611 GO:0006810 GO:0006886 GO:0007062 GO:0008536 GO:0008565 GO:0010824 GO:0015030 GO:0015031 GO:0016020 GO:0016032 GO:0019904 GO:0030529 GO:0031965 GO:0034504 GO:0042176 GO:0042493 GO:0043231 GO:0043488 GO:0046825 GO:0051028 GO:0075733
10.170.6123.910.060.793icqT GO:0000049 GO:0003723 GO:0005525 GO:0005634 GO:0005635 GO:0005643 GO:0005737 GO:0005829 GO:0006409 GO:0006605 GO:0006810 GO:0008033 GO:0008536 GO:0015932 GO:0016363 GO:0071528
20.110.5104.990.040.764uvkA GO:0000755 GO:0003682 GO:0005634 GO:0005829 GO:0006473 GO:0007064 GO:0009847 GO:0031505 GO:0031618 GO:0031934 GO:0034990 GO:1990707
30.070.6304.380.100.873zkvA GO:0005737 GO:0006606 GO:0006886 GO:0007270 GO:0008139 GO:0008536 GO:0008565 GO:0031965 GO:0042331 GO:0050804
40.070.5854.340.070.784c0qB GO:0004872 GO:0005634 GO:0005737 GO:0006810 GO:0008139 GO:0008565 GO:0015031 GO:0031965 GO:0035048 GO:0042802 GO:0043231
50.070.6264.280.080.862x1gF GO:0005737 GO:0006606 GO:0006886 GO:0007270 GO:0008139 GO:0008536 GO:0008565 GO:0031965 GO:0042331 GO:0050804
60.070.5634.430.050.763zjyE GO:0005634 GO:0005737 GO:0006606 GO:0006810 GO:0006886 GO:0008139 GO:0008536 GO:0008565 GO:0015031 GO:0031965
70.070.5074.640.080.704bsmA GO:0000055 GO:0000056 GO:0000122 GO:0000776 GO:0003723 GO:0005215 GO:0005487 GO:0005634 GO:0005635 GO:0005642 GO:0005654 GO:0005730 GO:0005737 GO:0005829 GO:0006611 GO:0006810 GO:0006886 GO:0007062 GO:0008536 GO:0008565 GO:0010824 GO:0015030 GO:0015031 GO:0016020 GO:0016032 GO:0019904 GO:0030529 GO:0031965 GO:0034504 GO:0042176 GO:0042493 GO:0043231 GO:0043488 GO:0046825 GO:0051028 GO:0075733
80.070.5844.220.070.793a6pA GO:0000049 GO:0003723 GO:0003729 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0006611 GO:0006810 GO:0006886 GO:0008536 GO:0008565 GO:0015031 GO:0031047 GO:0035281 GO:0042565 GO:0044822 GO:0070883 GO:0090631 GO:1900370
90.070.5773.910.070.763wyfC GO:0000055 GO:0000776 GO:0005634 GO:0005737 GO:0005816 GO:0006406 GO:0006611 GO:0006810 GO:0006886 GO:0008536 GO:0008565 GO:0015031 GO:0034501 GO:0048471
100.070.5684.260.070.783gjxA GO:0000055 GO:0000056 GO:0000122 GO:0000776 GO:0003723 GO:0005487 GO:0005634 GO:0005642 GO:0005654 GO:0005730 GO:0005737 GO:0006611 GO:0006810 GO:0006886 GO:0008536 GO:0008565 GO:0010824 GO:0015030 GO:0015031 GO:0016020 GO:0019904 GO:0030529 GO:0031965 GO:0034504 GO:0042176 GO:0042493 GO:0043231 GO:0046825 GO:0051028
110.070.5753.920.070.765difC GO:0000055 GO:0000776 GO:0005634 GO:0005737 GO:0005816 GO:0006406 GO:0006611 GO:0006810 GO:0006886 GO:0008536 GO:0008565 GO:0015031 GO:0034501 GO:0048471
120.070.5944.200.060.794ol0B GO:0004872 GO:0005634 GO:0005737 GO:0006810 GO:0008139 GO:0008565 GO:0015031 GO:0031965 GO:0035048 GO:0042802 GO:0043231
130.070.6093.910.050.802xwuB GO:0005634 GO:0005737 GO:0006606 GO:0006810 GO:0006886 GO:0008139 GO:0008536 GO:0008565 GO:0015031 GO:0031965
140.070.5484.020.070.734c0qA GO:0004872 GO:0005634 GO:0005737 GO:0006810 GO:0008139 GO:0008565 GO:0015031 GO:0031965 GO:0035048 GO:0042802 GO:0043231
150.060.4084.100.060.542y4uA 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
160.060.3936.340.050.683o8lA GO:0000166 GO:0003824 GO:0003872 GO:0005524 GO:0005737 GO:0006002 GO:0006096 GO:0008022 GO:0008152 GO:0016301 GO:0016310 GO:0016740 GO:0046872 GO:0061615
170.060.3026.050.070.513wwpA GO:0016829 GO:0046872
180.060.3166.450.040.561x87A GO:0005737 GO:0006547 GO:0006548 GO:0016153 GO:0016829 GO:0019556 GO:0019557


Consensus prediction of GO terms
 
Molecular Function GO:0008536 GO:0003723 GO:0008565 GO:0032561 GO:0035639 GO:0022891 GO:0032550
GO-Score 0.45 0.41 0.39 0.34 0.34 0.34 0.34
Biological Processes GO:0046794 GO:0051246 GO:0000054 GO:1902583 GO:0030163 GO:0043487 GO:0006611 GO:0033365 GO:0046822 GO:0046605 GO:0006357 GO:0000819 GO:0019058 GO:0009894 GO:0042221 GO:0033157 GO:0045892 GO:0051298 GO:0034470 GO:0006409 GO:0006399
GO-Score 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.34 0.34 0.34
Cellular Component GO:0042175 GO:1990904 GO:0016604 GO:0098589 GO:0000775 GO:0043234 GO:0005829 GO:0031965 GO:0034399
GO-Score 0.59 0.59 0.59 0.59 0.59 0.59 0.48 0.39 0.34

(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.