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I-TASSER results for job id Rv2159c

[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
10.08 4 1q05A CU1 Rep, Mult 81,84
20.08 4 3bz1H CLA Rep, Mult 151,154
30.06 3 2ckjA FES Rep, Mult 14,15,16,20,38,41,42
40.06 3 4toeV FE2 Rep, Mult 139,140,143
50.04 2 1fiqA FES Rep, Mult 66,67,70,93,94,95,96,99,101
60.04 2 3oceC CO Rep, Mult 147,150
70.04 2 1v54B HEA Rep, Mult 85,155,158,159
80.02 1 1gkiA ADP Rep, Mult 55,339
90.02 1 2hr0B THC Rep, Mult 84,87,134,202
100.02 1 1ne9A MG Rep, Mult 126,128
110.02 1 3fecA ZN Rep, Mult 88,114,164
120.02 1 2nrzB MN Rep, Mult 76,152

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
10.0603ebgA0.4426.330.0500.7153.4.11.-NA
20.0602bhrA0.3476.560.0660.5793.4.21.9176
30.0602w00B0.3786.520.0500.6313.1.21.337,166
40.0601q16A0.3826.770.0500.6601.7.99.4NA
50.0601ofdA0.3876.780.0430.6601.4.7.1119
60.0603igyB0.3786.250.0340.6085.4.2.1NA
70.0602ckjA0.3406.660.0610.5791.17.1.4,1.17.3.2NA
80.0603b9jC0.3236.500.0540.5411.17.3.2,1.17.1.4NA
90.0602vdcF0.3926.570.0360.6511.4.1.13NA
100.0601fo4A0.3676.570.0360.6131.17.1.4NA
110.0601z1wA0.4096.300.0330.6453.4.11.-NA
120.0601bgvA0.3196.800.0440.5461.4.1.2114
130.0603b9jJ0.2476.530.0420.4071.17.1.4,1.17.3.258,60,130,140,146
140.0601ct9A0.3776.220.0780.5966.3.5.4NA
150.0602d4eC0.3746.750.0560.6451.2.1.60NA
160.0601z01A0.3786.000.0690.5871.14.13.61NA
170.0601lrwC0.3806.310.0730.6111.1.99.8NA
180.0602vdcA0.3846.830.0490.6571.4.1.13NA
190.0602e1qA0.3956.770.0260.6711.17.3.2,1.17.1.4NA

(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
00.180.6973.480.110.845cufC GO:0001932 GO:0005634 GO:0005737 GO:0005739 GO:0005829 GO:0006635 GO:0006914 GO:0007005 GO:0009749 GO:0016239 GO:0016684 GO:0030308 GO:0030330 GO:0031588 GO:0031932 GO:0032042 GO:0032542 GO:0032868 GO:0034599 GO:0036091 GO:0042593 GO:0043491 GO:0046323 GO:0061700 GO:0070328 GO:0070728 GO:0071230 GO:0071233 GO:0072593 GO:0090526 GO:0098869 GO:1900182 GO:1901031 GO:1902010 GO:1904262 GO:1990316 GO:2000479
10.150.4582.270.160.502oyoA GO:0004601 GO:0016209 GO:0016491 GO:0051920 GO:0055114 GO:0098869
20.130.4402.630.140.503c1lB GO:0004601 GO:0016209 GO:0016491 GO:0051920 GO:0055114 GO:0098869
30.120.4662.240.140.512prrD GO:0004601 GO:0016209 GO:0016491 GO:0051920 GO:0055114 GO:0098869
40.100.4532.400.140.502pfxA GO:0004601 GO:0016209 GO:0016491 GO:0051920 GO:0055114 GO:0098869
50.090.4472.360.120.493lvyA GO:0004601 GO:0016209 GO:0016491 GO:0051920 GO:0055114 GO:0098869
60.080.4426.330.050.723ebgA GO:0004177 GO:0005737 GO:0005829 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0046872
70.070.4446.380.030.734xo4A GO:0004177 GO:0005737 GO:0005886 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0016020 GO:0016787 GO:0042277 GO:0042802 GO:0043171 GO:0046872 GO:0070006
80.060.4326.600.050.724qpeA GO:0004177 GO:0006508 GO:0008237 GO:0008270 GO:0016787 GO:0046872
90.060.4146.570.030.705dllA GO:0004177 GO:0006508 GO:0008237 GO:0008270 GO:0016787
100.060.4136.550.050.692yd0A GO:0001525 GO:0002250 GO:0002376 GO:0002474 GO:0004175 GO:0004177 GO:0005138 GO:0005151 GO:0005164 GO:0005576 GO:0005615 GO:0005737 GO:0005783 GO:0005788 GO:0005789 GO:0005829 GO:0005886 GO:0006508 GO:0006509 GO:0008217 GO:0008233 GO:0008235 GO:0008237 GO:0008270 GO:0009617 GO:0016020 GO:0016021 GO:0016787 GO:0019885 GO:0042277 GO:0043171 GO:0043231 GO:0045088 GO:0045444 GO:0045766 GO:0046872 GO:0070006 GO:0070062
110.060.4156.490.030.685c97A GO:0000209 GO:0002480 GO:0004177 GO:0005576 GO:0005622 GO:0005765 GO:0005829 GO:0005886 GO:0005887 GO:0006508 GO:0007165 GO:0007267 GO:0007565 GO:0008217 GO:0008233 GO:0008237 GO:0008270 GO:0016020 GO:0016021 GO:0016787 GO:0030163 GO:0030659 GO:0031905 GO:0042277 GO:0043171 GO:0046872 GO:0048471 GO:0060395 GO:0061024 GO:0070006
120.060.3506.960.060.624wz9B GO:0005737 GO:0005886 GO:0006508 GO:0008237 GO:0008270 GO:0042277 GO:0043171 GO:0070006
130.060.4286.150.050.685ab0C GO:0002250 GO:0002376 GO:0002474 GO:0004175 GO:0004177 GO:0005783 GO:0005788 GO:0005789 GO:0005886 GO:0006508 GO:0008217 GO:0008233 GO:0008237 GO:0008270 GO:0016020 GO:0016021 GO:0016787 GO:0019885 GO:0042277 GO:0043171 GO:0046872 GO:0070006
140.060.4366.000.050.684kx7A GO:0001525 GO:0002003 GO:0002005 GO:0003081 GO:0004177 GO:0005765 GO:0005886 GO:0005887 GO:0005903 GO:0006508 GO:0007267 GO:0008233 GO:0008237 GO:0008270 GO:0008283 GO:0009897 GO:0016020 GO:0016021 GO:0016324 GO:0016477 GO:0016787 GO:0031410 GO:0032835 GO:0042277 GO:0043171 GO:0045177 GO:0046872 GO:0070006 GO:0070062
150.060.4276.370.040.694fyrA GO:0001525 GO:0001618 GO:0004177 GO:0004872 GO:0005615 GO:0005737 GO:0005765 GO:0005793 GO:0005829 GO:0005886 GO:0005887 GO:0006508 GO:0006725 GO:0007275 GO:0008233 GO:0008237 GO:0008270 GO:0009897 GO:0012506 GO:0016020 GO:0016021 GO:0016032 GO:0016787 GO:0030154 GO:0031983 GO:0035814 GO:0042277 GO:0043171 GO:0046718 GO:0046872 GO:0070006 GO:0070062
160.060.4296.630.060.725ab0A GO:0002250 GO:0002376 GO:0002474 GO:0004175 GO:0004177 GO:0005783 GO:0005788 GO:0005789 GO:0005886 GO:0006508 GO:0008217 GO:0008233 GO:0008237 GO:0008270 GO:0016020 GO:0016021 GO:0016787 GO:0019885 GO:0042277 GO:0043171 GO:0046872 GO:0070006
170.060.3386.450.040.553b7rL GO:0004177 GO:0004301 GO:0004463 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0005886 GO:0006508 GO:0006691 GO:0008233 GO:0008237 GO:0008270 GO:0010043 GO:0016787 GO:0019370 GO:0042277 GO:0043171 GO:0043434 GO:0044822 GO:0046872 GO:0060509 GO:0070006 GO:0070062
180.060.3026.900.040.512xpyA GO:0004177 GO:0004301 GO:0004463 GO:0005634 GO:0005737 GO:0005886 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0030163 GO:0042277 GO:0043171 GO:0044255 GO:0046872 GO:0070006


Consensus prediction of GO terms
 
Molecular Function GO:0051920 GO:0004601 GO:0016667 GO:0016597
GO-Score 0.41 0.41 0.36 0.36
Biological Processes GO:0098869 GO:0043619 GO:1900180 GO:0072331 GO:0019395 GO:0036490 GO:0006111 GO:0016241 GO:0032007 GO:0032055 GO:1903432 GO:0043434 GO:0010508 GO:0055090 GO:1902882 GO:1901522 GO:0000002 GO:0009062 GO:0045926 GO:0015758 GO:0006259 GO:0001678 GO:0009746 GO:0043201 GO:0042770 GO:0071230 GO:0001558 GO:0000302 GO:0036003 GO:1903829 GO:0071900
GO-Score 0.52 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36
Cellular Component GO:0038201 GO:0044444 GO:0043231 GO:0035859 GO:1902554
GO-Score 0.36 0.36 0.36 0.36 0.36

(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.