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I-TASSER results for job id Rv2729c

[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
10.10 5 4h13A CLA Rep, Mult 240,243,244,247,265,268,271
20.04 2 1siwA SF4 Rep, Mult 95,100,101,102,227
30.02 1 2wse1 CLA Rep, Mult 241,245
40.02 1 4o6mB MPG Rep, Mult 11,12
50.02 1 3u32K DCW Rep, Mult 78,106,113
60.02 1 2oyyB HEM Rep, Mult 168,172
70.02 1 3zprB 2CV Rep, Mult 66,70,82,86
80.02 1 4ezcA BGC Rep, Mult 53,54
90.02 1 1q90B CLA Rep, Mult 247,267,268,271,272,275
100.02 1 3mpnA MTN Rep, Mult 78,82,265
110.02 1 3v5uA MYS Rep, Mult 269,273,274
120.02 1 1n35A CH1 Rep, Mult 7,16,17,211
130.02 1 3ze3D ZN Rep, Mult 229,281
140.02 1 2h2pA SEK Rep, Mult 223,225
150.02 1 2aiyB IPH Rep, Mult 87,90
160.02 1 1jvzA CEN Rep, Mult 214,216,219
170.02 1 1hu9A 4HM Rep, Mult 7,10,11,14,61,214
180.02 1 1g6uA TFA Rep, Mult 57,58,59
190.02 1 2x2vH DPV Rep, Mult 79,87
200.02 1 1fbmD RTL Rep, Mult 71,78

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
10.0602ivfA0.3826.820.0550.6911.17.99.2NA
20.0602p0mB0.4276.070.0440.6881.13.11.3312,16
30.0602eq9D0.3756.120.0970.6051.8.1.4157
40.0601jehA0.3625.930.0390.5751.8.1.4NA
50.0603cf4A0.3896.350.0420.6511.2.99.2NA
60.0601mo9A0.3946.140.0600.6381.8.1.5NA
70.0601oqzB0.3996.430.0710.6813.5.1.93NA
80.0601q16A0.4056.580.0660.7181.7.99.4NA
90.0601no3A0.4456.240.1010.7341.13.11.12NA
100.0603k1dA0.3865.580.0490.5952.4.1.18NA
110.0602iukB0.4486.020.0800.7141.13.11.12233
120.0603bkkA0.3735.900.0470.5953.4.15.1NA
130.0601n1hA0.3916.760.0460.6982.7.7.48229,234
140.0602eq6A0.3716.310.0840.6111.8.1.4137
150.0601mokA0.3886.020.0410.6281.8.1.590
160.0601zmcD0.3766.160.0530.6081.8.1.4NA
170.0602zxcA0.3945.750.1200.6153.5.1.23NA
180.0603dk9A0.3796.180.0650.6211.8.1.7NA
190.0601grtA0.3766.220.0650.6211.8.1.7NA

(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
00.260.8261.800.130.875i20E GO:0016020 GO:0016021
10.170.6341.300.150.665i20F GO:0016020 GO:0016021
20.140.4545.830.040.713fg3A GO:0003824 GO:0004096 GO:0005506 GO:0005737 GO:0006629 GO:0006631 GO:0006633 GO:0008152 GO:0016020 GO:0016491 GO:0016702 GO:0016829 GO:0019369 GO:0020037 GO:0031408 GO:0046872 GO:0047677 GO:0047987 GO:0051213 GO:0055114 GO:0098869
30.070.4585.820.070.724g33A GO:0016165 GO:0016491 GO:0016702 GO:0042597 GO:0046872 GO:0051213 GO:0055114
40.070.4535.900.110.725fnoA GO:0005576 GO:0016491 GO:0016702 GO:0046872 GO:0050584 GO:0051213 GO:0055114
50.070.4405.640.050.693rdeA GO:0001503 GO:0002820 GO:0004052 GO:0005506 GO:0005546 GO:0005737 GO:0005811 GO:0005829 GO:0005886 GO:0006629 GO:0006631 GO:0006646 GO:0008289 GO:0010811 GO:0016020 GO:0016491 GO:0016702 GO:0019369 GO:0019372 GO:0030282 GO:0030838 GO:0031234 GO:0034976 GO:0035358 GO:0035963 GO:0042060 GO:0043277 GO:0043651 GO:0046872 GO:0050473 GO:0051213 GO:0055114 GO:0070374 GO:0071277 GO:1901074 GO:2001303
60.070.4425.850.070.703o8yA GO:0002526 GO:0002540 GO:0004051 GO:0005506 GO:0005615 GO:0005634 GO:0005635 GO:0005641 GO:0005737 GO:0005829 GO:0006691 GO:0006954 GO:0007584 GO:0016020 GO:0016363 GO:0016491 GO:0016702 GO:0019233 GO:0019369 GO:0019370 GO:0019372 GO:0030425 GO:0031965 GO:0042383 GO:0045907 GO:0046872 GO:0051213 GO:0055093 GO:0055114 GO:2001300
70.070.4575.850.050.724nreA GO:0005506 GO:0005509 GO:0005622 GO:0005634 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0006629 GO:0006915 GO:0008285 GO:0008289 GO:0010744 GO:0016020 GO:0016165 GO:0016491 GO:0016702 GO:0019369 GO:0019372 GO:0019898 GO:0030336 GO:0030850 GO:0030856 GO:0035360 GO:0036403 GO:0043651 GO:0045618 GO:0045786 GO:0045926 GO:0046872 GO:0050473 GO:0051122 GO:0051213 GO:0055114 GO:0070062 GO:0090197
80.070.4545.640.050.702p0mA GO:0001503 GO:0002820 GO:0004052 GO:0005506 GO:0005546 GO:0005737 GO:0005811 GO:0005829 GO:0005886 GO:0006629 GO:0006631 GO:0006646 GO:0008289 GO:0010811 GO:0016020 GO:0016491 GO:0016702 GO:0019369 GO:0019372 GO:0030282 GO:0030838 GO:0031234 GO:0034976 GO:0035358 GO:0035963 GO:0042060 GO:0043277 GO:0043651 GO:0046872 GO:0050473 GO:0051122 GO:0051213 GO:0055114 GO:0070374 GO:0071277 GO:1901074 GO:2001303
90.070.4505.980.070.723vf1A GO:0005506 GO:0016491 GO:0016702 GO:0046872 GO:0051213 GO:0055114
100.070.4536.060.110.735fx8A GO:0005576 GO:0016491 GO:0016702 GO:0046872 GO:0050584 GO:0051213 GO:0055114
110.070.4485.680.080.702iukA GO:0005737 GO:0006629 GO:0006631 GO:0006633 GO:0016491 GO:0016702 GO:0031408 GO:0046872 GO:0051213 GO:0055114
120.060.4465.890.050.703dy5A GO:0003824 GO:0004096 GO:0005506 GO:0005737 GO:0006629 GO:0006631 GO:0006633 GO:0008152 GO:0016020 GO:0016491 GO:0016702 GO:0016829 GO:0019369 GO:0020037 GO:0031408 GO:0046872 GO:0047677 GO:0047987 GO:0051213 GO:0055114 GO:0098869
130.060.4485.770.090.711ygeA GO:0005737 GO:0006629 GO:0006631 GO:0006633 GO:0016165 GO:0016491 GO:0016702 GO:0031408 GO:0046872 GO:0051213 GO:0055114
140.060.4146.490.050.713d3lA GO:0004052 GO:0005506 GO:0005737 GO:0005829 GO:0006629 GO:0006631 GO:0006928 GO:0007568 GO:0008284 GO:0010595 GO:0010628 GO:0010656 GO:0010942 GO:0016020 GO:0016165 GO:0016491 GO:0016702 GO:0016787 GO:0019369 GO:0019372 GO:0019395 GO:0030307 GO:0030335 GO:0042383 GO:0042554 GO:0043065 GO:0043066 GO:0043280 GO:0043651 GO:0045603 GO:0045766 GO:0045785 GO:0045909 GO:0046872 GO:0047977 GO:0048661 GO:0051120 GO:0051121 GO:0051122 GO:0051213 GO:0051901 GO:0055114 GO:0061436 GO:0070062 GO:0071396 GO:0072593 GO:0090331 GO:1901751 GO:2001300 GO:2001303 GO:2001306
150.060.4456.240.100.731no3A GO:0005737 GO:0006629 GO:0006631 GO:0006633 GO:0016491 GO:0016702 GO:0031408 GO:0046872 GO:0051213 GO:0055114
160.060.4356.370.050.723v99B GO:0002526 GO:0002540 GO:0004051 GO:0005506 GO:0005615 GO:0005634 GO:0005635 GO:0005641 GO:0005737 GO:0005829 GO:0006691 GO:0006954 GO:0007584 GO:0016020 GO:0016363 GO:0016491 GO:0016702 GO:0019233 GO:0019369 GO:0019370 GO:0019372 GO:0030425 GO:0031965 GO:0042383 GO:0045907 GO:0046872 GO:0051213 GO:0055093 GO:0055114 GO:2001300
170.060.3416.120.040.561qo0B GO:0006865 GO:0016301 GO:0016310 GO:0016740 GO:0033218 GO:0034251 GO:0051346
180.060.3903.870.030.483o7qA GO:0005886 GO:0005887 GO:0005975 GO:0006004 GO:0006810 GO:0008643 GO:0015150 GO:0015293 GO:0015517 GO:0015518 GO:0015535 GO:0015751 GO:0015756 GO:0015757 GO:0016020 GO:0016021 GO:0055085


Consensus prediction of GO terms
 
Molecular Function GO:0051213 GO:0016701 GO:0043169
GO-Score 0.50 0.50 0.50
Biological Processes GO:0044710
GO-Score 0.50
Cellular Component GO:0016021
GO-Score 0.39

(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.