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

I-TASSER results for job id Rv1870c

[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
10.42 42 1lwyA NUC Rep, Mult 55,56,57,58,59,60,105,146,147,148,149,150,151,152,153,173,174,175
20.03 3 5chzA NUC Rep, Mult 56,57,146,147,148,149,150,151,152,153,173
30.02 2 1ornA QNA Rep, Mult 57,62,100,101,102,103,104,105
40.01 1 1orpA QNA Rep, Mult 62,96,97,100,101,103,104
50.01 1 1munA IMD Rep, Mult 16,19,194,195,197
60.01 1 2nofA QNA Rep, Mult 144,150,151,153
70.01 1 4b21A BGC Rep, Mult 55,60,152,156,160,173,175
80.01 1 1muyA IMD Rep, Mult 152,153,156,171,173

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
10.2902abkA0.7032.550.1430.8294.2.99.18174
20.2571kg5A0.7002.810.1140.8343.2.2.-173
30.2391mudA0.6952.730.1080.8293.2.2.-61,102,211
40.1311keaA0.7322.730.0940.8533.2.2.-NA
50.0671xg7A0.6633.570.0840.8774.2.99.18109
60.0661xqoA0.6353.680.0940.8394.2.99.1860
70.0661dizA0.6433.060.1890.7963.2.2.21NA
80.0662jg6A0.5314.020.0960.7163.2.2.2070
90.0602vhlB0.4225.830.0520.7583.5.1.25148
100.0601k1dA0.4195.510.0530.6973.5.2.-173
110.0601k6wA0.3835.950.0450.6873.5.4.1104
120.0603fhgA0.6902.940.1920.8394.2.99.18149
130.0602qt3B0.4265.730.0510.7393.5.99.496
140.0601p7mA0.5253.860.0920.6973.2.2.2045,51,152,200
150.0601ra0A0.3856.160.0500.7063.5.4.1NA
160.0602c8nA0.4345.340.0360.7203.2.1.55NA
170.0602jhnA0.6623.070.1450.8203.2.2.21173
180.0601mhsA0.4295.160.0490.6873.6.3.6NA
190.0601y9mA0.4265.530.0490.7253.2.1.80NA
200.0601fn7A0.7192.490.1260.8394.2.99.18,3.2.2.-NA
210.0603f0zA0.7062.600.1180.8254.2.99.18173
220.0602a3lA0.4275.570.0260.7203.5.4.6NA
230.0602p3xA0.4315.090.0700.6821.10.3.195
240.0603hkzJ0.4215.230.0620.6822.7.7.6125
250.0603fhfA0.6893.250.1210.8534.2.99.18149,175
260.0601ynyB0.4185.890.0450.7583.5.2.2NA
270.0601y4wA0.4205.740.0540.7353.2.1.80NA

(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
00.340.6393.130.190.803ogdA GO:0003824 GO:0003905 GO:0005737 GO:0006281 GO:0006284 GO:0006307 GO:0006974 GO:0008725 GO:0016787 GO:0043916 GO:0052821 GO:0052822
10.300.6623.070.140.822jhnA GO:0003824 GO:0006281 GO:0006284
20.300.8761.550.130.944uobA GO:0003824 GO:0004519 GO:0006281 GO:0006284 GO:0046872 GO:0051536 GO:0051539 GO:0090305
30.290.7262.410.120.842xhiA GO:0002526 GO:0003677 GO:0003684 GO:0003824 GO:0003906 GO:0004519 GO:0005634 GO:0005654 GO:0005739 GO:0006281 GO:0006284 GO:0006289 GO:0006355 GO:0006974 GO:0006979 GO:0007568 GO:0008017 GO:0008152 GO:0008534 GO:0009314 GO:0009416 GO:0016363 GO:0016607 GO:0016787 GO:0016798 GO:0016829 GO:0019104 GO:0032355 GO:0032357 GO:0033158 GO:0033683 GO:0034039 GO:0042493 GO:0043066 GO:0043234 GO:0045007 GO:0045008 GO:0045471 GO:0051593 GO:0071276 GO:1901291
40.260.7472.050.140.831ornA
50.220.6913.050.150.863s6iD GO:0003684 GO:0003824 GO:0003905 GO:0005634 GO:0006281 GO:0006284 GO:0006285 GO:0006307 GO:0006974 GO:0008725 GO:0016787 GO:0032131 GO:0032993 GO:0043916 GO:0045007 GO:0052820 GO:0052821 GO:0052822
60.210.6503.450.140.842yg8A GO:0003824 GO:0006281 GO:0006284 GO:0008152 GO:0016798 GO:0019104
70.200.7002.810.110.831kg5A GO:0003677 GO:0003824 GO:0006281 GO:0006284 GO:0006974 GO:0008152 GO:0016787 GO:0016798 GO:0019104 GO:0046872 GO:0051536 GO:0051539
80.190.7122.980.160.894unfA GO:0003824 GO:0003906 GO:0004519 GO:0006281 GO:0006284 GO:0006974 GO:0008152 GO:0016787 GO:0016798 GO:0046872 GO:0051536 GO:0051539 GO:0090305
90.180.6862.990.130.854b21A GO:0003824 GO:0003905 GO:0005634 GO:0006281 GO:0006284 GO:0006285 GO:0006307 GO:0006974 GO:0008725 GO:0016787 GO:0019104 GO:0043916 GO:0052821 GO:0052822
100.160.6913.260.130.873n5nY GO:0003677 GO:0003824 GO:0005634 GO:0005654 GO:0005739 GO:0006281 GO:0006284 GO:0006298 GO:0006974 GO:0006979 GO:0008152 GO:0016787 GO:0016798 GO:0019104 GO:0032405 GO:0032406 GO:0032407 GO:0032408 GO:0045007 GO:0046872 GO:0051536 GO:0051539
110.150.6383.380.140.832h56A GO:0003824 GO:0006281 GO:0006284 GO:0008152 GO:0016798
120.150.7162.550.130.833f10A GO:0003684 GO:0003824 GO:0006281 GO:0006284 GO:0006289 GO:0008534
130.130.5113.040.100.614evvA GO:0000785 GO:0003677 GO:0003824 GO:0005634 GO:0005654 GO:0005737 GO:0006281 GO:0006306 GO:0006974 GO:0007095 GO:0008263 GO:0008630 GO:0009314 GO:0016787
140.120.7322.730.090.851keaA GO:0003677 GO:0003824 GO:0003906 GO:0006281 GO:0006284 GO:0006974 GO:0008152 GO:0016787 GO:0016798 GO:0046872 GO:0051536 GO:0051539
150.120.7122.730.150.861pu6A GO:0003677 GO:0003824 GO:0004519 GO:0006281 GO:0006284 GO:0090305
160.110.7032.550.140.832abkA GO:0000703 GO:0003677 GO:0003824 GO:0003906 GO:0006281 GO:0006284 GO:0006285 GO:0006974 GO:0008152 GO:0016787 GO:0016798 GO:0016829 GO:0019104 GO:0034644 GO:0046872 GO:0051536 GO:0051539
170.100.6922.780.140.834yprA GO:0003677 GO:0003824 GO:0006281 GO:0006284 GO:0006974 GO:0008152 GO:0016787 GO:0016798 GO:0019104 GO:0046872 GO:0051536 GO:0051539
180.060.3495.820.060.623vvpA GO:0006855 GO:0015238 GO:0015297 GO:0016020 GO:0016021 GO:0055085
190.060.3655.890.060.652gaiA GO:0000287 GO:0003677 GO:0003916 GO:0003917 GO:0006265 GO:0016853 GO:0046872
200.060.2865.160.060.464o26A GO:0000333 GO:0000781 GO:0003677 GO:0003721 GO:0003723 GO:0003964 GO:0005634 GO:0005694 GO:0006278 GO:0016740 GO:0016779 GO:0022616 GO:0030529 GO:0046872
210.060.3295.350.060.554lmoA GO:0000333 GO:0000781 GO:0003677 GO:0003721 GO:0003723 GO:0003964 GO:0005634 GO:0005694 GO:0006278 GO:0016740 GO:0016779 GO:0022616 GO:0030529 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0051536 GO:0043169 GO:0003906 GO:0032356 GO:0000702 GO:0015631 GO:0052822 GO:0052821 GO:0008725 GO:0043916
GO-Score 0.59 0.59 0.59 0.59 0.59 0.59 0.34 0.34 0.34 0.34
Biological Processes GO:0014070 GO:0009628 GO:2000112 GO:0006285 GO:0009223 GO:1903506 GO:0001101 GO:0097305 GO:0042306 GO:0043069 GO:0033993 GO:0071248 GO:0006954 GO:0045002 GO:0033273 GO:0000060 GO:0046686 GO:0044767 GO:0042981 GO:0010243 GO:0010468 GO:2000780 GO:0006351 GO:0006307
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 0.59 0.59 0.59 0.59 0.59 0.34
Cellular Component GO:0044444 GO:0034399 GO:0032991 GO:0016604
GO-Score 0.59 0.59 0.59 0.59

(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.