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I-TASSER results for job id Rv3230c

[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
10.65 82 4fk8A FAD Rep, Mult 95,109,110,111,112,129,130,131,133,136,137,138,139,178,181,285,286,287,288,289
20.03 8 2bpoA NAP Rep, Mult 131,133,176,177,178,205,206,232,233,238,240,262,263,264,265
30.02 3 2vzlA NAD Rep, Mult 112,131,178,179,260,261,262,285,288
40.02 3 2piaA FES Rep, Mult 331,332,333,334,336,337,338,339,341,366,368
50.02 5 3ozwA UUU Rep, Mult 1,4,5,8,10,12,33,36,37,40,289,290
60.02 5 1ja0A NAP Rep, Mult 112,176,177,178,179,205,232,233,238,240,260,261,262,264,265,268,285,286
70.01 3 1ddiA NAP Rep, Mult 176,177,205,206,232,233,240,265,268
80.01 2 2bsaA UUU Rep, Mult 109,110,111,112,129,131,133,135,136,137,138,139,176,177,178,204,205,206,232,260,261,262,264,265,285,286
90.01 2 1cqxB HEM Rep, Mult 1,4,5,8,10,33,36,37,40
100.01 3 1gjrA NAP Rep, Mult 131,133,176,177,178,205,206,232,233,261,262,287
110.00 1 3mhpA III Rep, Mult 67,69,70,71,72,77,118,188,208,209,211,213,215,216
120.00 1 3ozuA UUU Rep, Mult 1,5,8,10,12,29,32,33,36,37,40
130.00 1 2ok7E FAD Rep, Mult 110,285
140.00 1 1qufA NAP Rep, Mult 74,75,131,132,134,177,204,205,206,210,232,233
150.00 1 2xnjB FAD Rep, Mult 95,109,110,111,112,124,125,126,128,130,136,137,138,139,178,287
160.00 1 1w87B NAP Rep, Mult 175,179,181

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
10.5162piaA0.8061.190.2130.8261.18.1.-111,112,260,285
20.4181krhA0.5613.640.1910.6601.18.1.3111,112,260,287
30.4091i7pA0.5173.270.1570.6031.6.2.2111
40.4083fpkA0.5152.680.2150.5741.18.1.2111
50.3982bgjA0.5252.980.2060.5921.18.1.2111
60.3921a8pA0.5292.750.2090.5901.18.1.2111
70.2522cndA0.5162.740.1580.5791.7.1.1114,131,179,181,210,261
80.2122b5oB0.5463.030.1780.6211.18.1.2112,139
90.1991qfjA0.5022.770.1680.5601.5.1.29,NA
100.1812rc6A0.5493.100.1670.6241.18.1.2112,131,161,206,262,264
110.1673jqqC0.5432.730.1780.6051.18.1.2112,131
120.1112ok7C0.5422.750.1780.6051.18.1.2111,112,260,285
130.0941cqxA0.5374.830.1990.7051.14.12.17111
140.0861fdrA0.5092.760.2170.5681.18.1.2111
150.0671cneA0.5142.800.1540.5791.7.1.1,1.6.6.1NA
160.0672b5oA0.5463.030.1780.6211.18.1.295,260,285
170.0671bx0A0.5463.240.1940.6241.18.1.295,260
180.0671jb9A0.5453.230.1470.6261.18.1.2112,260,285
190.0671gawB0.5443.110.1880.6181.18.1.2112,260,285
200.0661ddgA0.5462.960.1790.6161.8.1.2112,260
210.0601cqxB0.5364.930.1990.7081.14.12.17283
220.0601fnbA0.5453.250.1980.6241.18.1.2112,131,139,206
230.0602rc5A0.5463.200.1710.6261.18.1.295,260,285
240.0602r6hC0.5192.790.1670.5791.6.5.-NA
250.0601qfyA0.5463.130.1740.6241.18.1.2112,260,285
260.0601umkA0.5183.030.1850.5921.6.2.2111
270.0601ddgB0.5472.940.1790.6161.8.1.2NA
280.0601qfjD0.5012.740.1680.5581.5.1.29,1.16.1.395,112
290.0601ewyA0.5473.210.1800.6291.18.1.2112,260,285
300.0601ja1A0.5964.010.1120.7161.6.2.4111
310.0603fjoA0.5452.960.1120.6181.6.2.4111,112,260
320.0601tllA0.6034.370.1290.7451.14.13.39112,260
330.0601wkvB0.4086.150.0590.6242.5.1.47178
340.0601ep1B0.5323.340.1340.6111.3.3.1NA
350.0601tvcA0.5053.530.1790.6051.14.13.25111
360.0602eixA0.5073.070.1480.5841.6.2.2111

(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
00.390.8061.190.210.832piaA GO:0009055 GO:0016491 GO:0046872 GO:0051536 GO:0051537 GO:0055114
10.380.5462.040.270.584eh1A GO:0004155 GO:0005344 GO:0005623 GO:0006810 GO:0006879 GO:0008941 GO:0009636 GO:0015671 GO:0016491 GO:0019825 GO:0020037 GO:0046872 GO:0051409 GO:0055114 GO:0071949
20.270.5613.640.190.661krhA GO:0008860 GO:0009055 GO:0016491 GO:0019439 GO:0042203 GO:0046872 GO:0051536 GO:0051537 GO:0055114
30.270.6453.440.220.731gvhA GO:0005344 GO:0005504 GO:0005737 GO:0006810 GO:0008941 GO:0009636 GO:0015671 GO:0016491 GO:0019825 GO:0020037 GO:0032843 GO:0046872 GO:0051409 GO:0055114 GO:0071949
40.250.5833.870.140.684p6vF GO:0005829 GO:0005886 GO:0006810 GO:0006811 GO:0006814 GO:0008137 GO:0009055 GO:0016020 GO:0016021 GO:0016491 GO:0016655 GO:0046872 GO:0051536 GO:0051537 GO:0055114 GO:0071949
50.230.5643.670.170.664wqmA GO:0008860 GO:0009055 GO:0016491 GO:0019439 GO:0042203 GO:0046872 GO:0051536 GO:0051537 GO:0055114
60.210.5142.800.150.581cneA GO:0009703 GO:0016491 GO:0020037 GO:0030151 GO:0042128 GO:0046872 GO:0055114
70.210.6353.510.180.734g1bA GO:0000166 GO:0016491 GO:0019825 GO:0020037 GO:0046872 GO:0055114
80.200.5173.250.160.603w5hA GO:0004128 GO:0005737 GO:0005739 GO:0005741 GO:0005783 GO:0005789 GO:0006629 GO:0006694 GO:0006695 GO:0008202 GO:0008203 GO:0016020 GO:0016126 GO:0016491 GO:0050660 GO:0055114 GO:0071949
90.200.5463.200.170.632rc5A GO:0000166 GO:0004324 GO:0016491 GO:0046872 GO:0055114
100.200.5374.830.200.711cqxA GO:0005344 GO:0005737 GO:0006810 GO:0008941 GO:0009636 GO:0015671 GO:0016491 GO:0019825 GO:0020037 GO:0046872 GO:0051409 GO:0055114 GO:0071949
110.190.5073.070.150.582eixA GO:0000166 GO:0004128 GO:0016020 GO:0016021 GO:0016491 GO:0055114
120.180.5453.240.150.633lvbA GO:0000166 GO:0004324 GO:0016491 GO:0055114
130.170.5173.270.160.601i7pA GO:0004128 GO:0005737 GO:0005739 GO:0005741 GO:0005743 GO:0005783 GO:0005789 GO:0005811 GO:0006629 GO:0006694 GO:0006695 GO:0008202 GO:0008203 GO:0016020 GO:0016126 GO:0016208 GO:0016491 GO:0043531 GO:0050660 GO:0051287 GO:0055114 GO:0070062 GO:0071949
140.160.5053.530.180.611tvcA GO:0004497 GO:0006730 GO:0009055 GO:0015049 GO:0015050 GO:0015947 GO:0016491 GO:0046872 GO:0051536 GO:0051537 GO:0055114
150.070.5422.720.170.602r6hC GO:0000166 GO:0005886 GO:0006810 GO:0006811 GO:0006814 GO:0009055 GO:0016020 GO:0016021 GO:0016491 GO:0016655 GO:0046872 GO:0051536 GO:0051537 GO:0055114
160.070.5093.530.080.612gpjA GO:0000166 GO:0016491 GO:0055114
170.060.2846.790.070.483q2iA GO:0000166 GO:0008152 GO:0016491 GO:0055114
180.060.3556.190.050.551qmgA GO:0000287 GO:0004455 GO:0008652 GO:0009082 GO:0009097 GO:0009099 GO:0009507 GO:0009536 GO:0016491 GO:0042803 GO:0046872 GO:0055114 GO:0070402


Consensus prediction of GO terms
 
Molecular Function GO:0046872 GO:0009055 GO:0051537 GO:0071949 GO:0008941 GO:0020037 GO:0005344 GO:0019825 GO:0016731 GO:0008289 GO:0016671 GO:0033293 GO:0050136 GO:0004155
GO-Score 0.85 0.67 0.67 0.66 0.55 0.55 0.55 0.55 0.53 0.53 0.53 0.53 0.51 0.38
Biological Processes GO:0055114 GO:0015671 GO:0051409 GO:0009636 GO:0042178 GO:0072491 GO:0018970 GO:0015672 GO:0030001 GO:0006879
GO-Score 0.85 0.55 0.55 0.55 0.53 0.53 0.53 0.51 0.51 0.38
Cellular Component GO:0071944 GO:0044444 GO:0031224
GO-Score 0.51 0.51 0.41

(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.