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I-TASSER results for job id Rv2819c

[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
10.16 7 3g6wD GTP Rep, Mult 139,142,146
20.11 5 3nxqB UUU Rep, Mult 136,137,138,141,274
30.07 3 4ro2B GLY Rep, Mult 145,148
40.02 1 3x1lH NUC Rep, Mult 40,237
50.02 1 3bb4A MG Rep, Mult 314,343
60.02 1 3h36A CA Rep, Mult 142,177,180
70.02 1 1np6A SO4 Rep, Mult 309,311,315,316
80.02 1 3x1lH NUC Rep, Mult 114,115,116,117,139,140,142,143,144,146,147,188,305,306
90.02 1 1kj4B III Rep, Mult 17,18
100.02 1 1gp7B CA Rep, Mult 305,307,309,329

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
10.0601rm6A0.2866.720.0190.4671.3.99.20NA
20.0601i1iP0.3836.320.0470.6083.4.24.16305
30.0602pdaA0.3516.570.0490.5571.2.7.1143
40.0601dgjA0.3526.890.0480.5971.2.-.-146
50.0601vncA0.3797.000.0700.6321.11.1.10NA
60.0601y7910.3566.990.0400.6033.4.15.5NA
70.0601h16A0.3477.510.0270.6402.3.1.54NA
80.0602rnpC0.3566.870.0190.5892.7.7.6NA
90.0601kitA0.3556.800.0360.5953.2.1.18NA
100.0602ow6A0.3616.870.0320.6083.2.1.114NA
110.0602eabA0.3706.550.0570.5973.2.1.63168
120.0603b9jJ0.2547.030.0530.4371.17.1.4,1.17.3.2282
130.0601s76D0.2857.030.0690.4932.7.7.6NA
140.0602j5wA0.3606.780.0350.6051.16.3.1NA
150.0602ckjA0.3047.070.0490.5311.17.1.4,1.17.3.2NA
160.0601s4bP0.3816.370.0630.6163.4.24.15NA
170.0601uwkA0.3756.630.0330.6274.2.1.49144
180.0601ofdA0.3147.530.0400.5731.4.7.1NA
190.0603b9jI0.2075.660.1050.3071.17.1.4,1.17.3.2NA

(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
00.060.3895.240.110.534n0lA GO:0046872
10.060.3826.460.060.613ahmA GO:0006508 GO:0008233 GO:0008237 GO:0016787 GO:0046872
20.060.3836.320.050.611i1iP GO:0004222 GO:0005737 GO:0005739 GO:0005758 GO:0005829 GO:0006508 GO:0006518 GO:0008233 GO:0008237 GO:0016787 GO:0046872 GO:0070012
30.060.3566.990.040.601y791 GO:0004180 GO:0004222 GO:0005737 GO:0005829 GO:0006508 GO:0006518 GO:0008233 GO:0008237 GO:0016787 GO:0030288 GO:0046872
40.060.3726.500.050.593sksA GO:0006508 GO:0008233 GO:0008237 GO:0016787 GO:0046872
50.060.3803.470.120.444w8vA GO:0003723 GO:0005737 GO:0051607
60.060.3906.600.040.644ka7A GO:0004222 GO:0005739 GO:0005759 GO:0005829 GO:0006508 GO:0006518 GO:0008233 GO:0008237 GO:0009507 GO:0009536 GO:0009570 GO:0016787 GO:0046872
70.060.2437.270.090.451ixsB GO:0000166 GO:0003677 GO:0004386 GO:0005524 GO:0006281 GO:0006310 GO:0006974 GO:0009378 GO:0009432 GO:0016787 GO:0032508
80.060.2807.500.030.511nyqB GO:0000166 GO:0004812 GO:0004829 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006435 GO:0016874 GO:0016876 GO:0043039 GO:0046872
90.060.3826.410.060.622o36A GO:0004222 GO:0005737 GO:0005758 GO:0006508 GO:0006518 GO:0008233 GO:0008237 GO:0016787 GO:0042277 GO:0046872
100.060.2856.770.030.472fncA GO:0004175 GO:0005363 GO:0006511 GO:0015768 GO:0019773
110.060.2327.200.030.413efmA GO:0004872 GO:0005506 GO:0006810 GO:0009279 GO:0015891 GO:0016020
120.060.2346.940.040.383nl1A GO:0046872 GO:0051213 GO:0055114
130.060.2427.000.030.414jc0A GO:0003824 GO:0005506 GO:0005737 GO:0005829 GO:0009451 GO:0016740 GO:0018339 GO:0035599 GO:0035600 GO:0043412 GO:0046872 GO:0051536 GO:0051539
140.060.2206.130.040.353cs3A GO:0003677 GO:0003700 GO:0006351 GO:0006355
150.060.2215.610.030.333hbdA GO:0004568 GO:0005975 GO:0006032 GO:0008061 GO:0008152 GO:0016787 GO:0016798 GO:0016998
160.060.2126.200.020.344uxdA GO:0003824 GO:0005975 GO:0006007 GO:0008152 GO:0008674 GO:0008675 GO:0016829 GO:0016832 GO:0061677
170.060.1895.570.040.271lxlA GO:0000910 GO:0001541 GO:0001701 GO:0001836 GO:0005622 GO:0005634 GO:0005737 GO:0005739 GO:0005741 GO:0005743 GO:0005759 GO:0005813 GO:0005815 GO:0005829 GO:0005856 GO:0006897 GO:0006915 GO:0007093 GO:0007281 GO:0007283 GO:0008283 GO:0008284 GO:0008584 GO:0008630 GO:0008637 GO:0009314 GO:0009566 GO:0009615 GO:0010507 GO:0016020 GO:0016021 GO:0019050 GO:0019901 GO:0030054 GO:0030672 GO:0031410 GO:0031965 GO:0031966 GO:0034097 GO:0040007 GO:0042802 GO:0042803 GO:0042981 GO:0043065 GO:0043066 GO:0043524 GO:0045202 GO:0046898 GO:0046902 GO:0046982 GO:0051402 GO:0051434 GO:0051881 GO:0060154 GO:0070584 GO:0071230 GO:0071312 GO:0071480 GO:0071839 GO:0090005 GO:0090201 GO:0097136 GO:0097192 GO:0097284 GO:1900118 GO:1902230 GO:2000811 GO:2001240 GO:2001243 GO:2001244
180.060.2005.970.060.314c8yA GO:0016788


Consensus prediction of GO terms
 
Molecular Function GO:0043169 GO:0070011
GO-Score 0.57 0.47
Biological Processes GO:0019538
GO-Score 0.47
Cellular Component GO:0005829 GO:0005758 GO:0030288
GO-Score 0.12 0.06 0.06

(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.