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I-TASSER results for job id Rv3896c

[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
10.14 7 4hjzA NAG Rep, Mult 215,240,241,243,291,292
20.06 3 1slyA BLG Rep, Mult 215,224,225,234,241,243,246,272,291,292,294,295
30.06 3 2vdcA F3S Rep, Mult 179,182,183,209,210,216
40.06 3 4dd2A GOL Rep, Mult 215,216,217,219,222,224
50.04 2 4a25A MN Rep, Mult 258,261
60.04 2 1c10A XE Rep, Mult 190,239,240,262,265,266
70.02 1 3l7gB MN Rep, Mult 214,215
80.02 1 2q8zA NUP Rep, Mult 227,243,246
90.02 1 4e9cA PG0 Rep, Mult 261,265
100.02 1 4owaA IOD Rep, Mult 189,261,262
110.02 1 2c6pA UUU Rep, Mult 208,211,212,215,241

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
10.0602rd0A0.3656.340.0610.6262.7.1.153212,214,259,261
20.0601cb8A0.4046.080.0620.6494.2.2.5NA
30.0601ea0A0.3766.420.0630.6461.4.1.13NA
40.0601js4A0.4105.870.0400.6393.2.1.4NA
50.0601bglA0.3596.670.0430.6323.2.1.23NA
60.0601hcuB0.4055.920.0590.6463.2.1.113NA
70.0601gaiA0.4295.970.0740.6793.2.1.3NA
80.0603ihyC0.4056.040.0280.6562.7.1.137186,188
90.0601fo2A0.4036.200.0460.6693.2.1.113163
100.0601slyA0.8252.770.0940.9504.2.2.-288
110.0601ksdA0.4065.430.0480.6093.2.1.4237
120.0602a4zA0.3995.960.0500.6422.7.1.153NA
130.0602x6fA0.4106.330.0570.7022.7.1.137,2.7.1.153,2.7.1.154194,197
140.0602vdcF0.3976.840.0560.7091.4.1.13NA
150.0601h12A0.4045.430.0660.6063.2.1.8NA
160.0602q1fA0.4015.890.0550.6394.2.2.21NA
170.0602qnoA0.4035.570.0400.6163.2.1.4191,286
180.0601a17A0.2863.470.0630.3583.1.3.16214
190.0601l2aE0.4075.590.0580.6233.2.1.4194,272

(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
00.310.8332.670.100.951qsaA GO:0000270 GO:0004553 GO:0008933 GO:0009253 GO:0016020 GO:0016829 GO:0016837 GO:0030288 GO:0042597 GO:0071555
10.070.4965.460.060.763nowA GO:0007525 GO:0031034 GO:0034605 GO:0045824 GO:0050829 GO:0061077
20.060.3796.410.040.643zw3A GO:0000166 GO:0001525 GO:0001816 GO:0001932 GO:0002250 GO:0002376 GO:0002407 GO:0002675 GO:0002679 GO:0004672 GO:0004674 GO:0005524 GO:0005737 GO:0005829 GO:0005886 GO:0005942 GO:0005944 GO:0006468 GO:0006661 GO:0006897 GO:0006935 GO:0006954 GO:0007186 GO:0007204 GO:0010818 GO:0010897 GO:0014065 GO:0016020 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0030168 GO:0030593 GO:0032252 GO:0033628 GO:0035004 GO:0035005 GO:0035747 GO:0036092 GO:0042098 GO:0042110 GO:0042629 GO:0043085 GO:0043303 GO:0043406 GO:0045087 GO:0046854 GO:0046875 GO:0046934 GO:0048015 GO:0051897 GO:0055118 GO:0070527 GO:0071320 GO:0072672 GO:0097284 GO:1903169 GO:2000270
30.060.4176.510.050.722x6kA GO:0000166 GO:0000421 GO:0005524 GO:0005769 GO:0006897 GO:0006914 GO:0009267 GO:0010506 GO:0016301 GO:0016303 GO:0016310 GO:0016322 GO:0016740 GO:0033227 GO:0034271 GO:0035004 GO:0035005 GO:0035032 GO:0035096 GO:0036092 GO:0045850 GO:0046854 GO:0046934 GO:0048015
40.060.4056.040.030.663ihyC GO:0000045 GO:0000166 GO:0000910 GO:0004672 GO:0005524 GO:0005768 GO:0005770 GO:0005776 GO:0005829 GO:0005930 GO:0005942 GO:0006468 GO:0006661 GO:0006914 GO:0007032 GO:0007049 GO:0016020 GO:0016236 GO:0016301 GO:0016303 GO:0016310 GO:0016485 GO:0016740 GO:0030496 GO:0030670 GO:0031410 GO:0032465 GO:0034162 GO:0035004 GO:0035032 GO:0036092 GO:0042149 GO:0043201 GO:0045022 GO:0045335 GO:0046854 GO:0048015 GO:0050708 GO:0051301
50.060.3676.780.070.665ab0C 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
60.060.4076.390.060.694uwhA GO:0000045 GO:0000166 GO:0000910 GO:0004672 GO:0005524 GO:0005768 GO:0005770 GO:0005776 GO:0005829 GO:0005930 GO:0005942 GO:0006468 GO:0006661 GO:0006914 GO:0007032 GO:0007049 GO:0016020 GO:0016236 GO:0016301 GO:0016303 GO:0016310 GO:0016485 GO:0016740 GO:0030496 GO:0030670 GO:0031410 GO:0032465 GO:0034162 GO:0035004 GO:0035032 GO:0036092 GO:0042149 GO:0043201 GO:0045022 GO:0045335 GO:0046854 GO:0048015 GO:0050708 GO:0051301
70.060.5005.840.060.804i2wA GO:0005886 GO:0005938 GO:0009792 GO:0018991 GO:0031625 GO:0032154 GO:0040011 GO:0042802 GO:0045214
80.060.3715.760.040.583qjzA GO:0000166 GO:0001525 GO:0001816 GO:0001932 GO:0002250 GO:0002376 GO:0002407 GO:0002675 GO:0002679 GO:0004672 GO:0004674 GO:0005524 GO:0005737 GO:0005829 GO:0005886 GO:0005942 GO:0005944 GO:0006468 GO:0006661 GO:0006897 GO:0006935 GO:0006954 GO:0007186 GO:0007204 GO:0010818 GO:0010897 GO:0014065 GO:0016020 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0030168 GO:0030593 GO:0032252 GO:0033628 GO:0035004 GO:0035005 GO:0035747 GO:0036092 GO:0042098 GO:0042110 GO:0042629 GO:0043085 GO:0043303 GO:0043406 GO:0045087 GO:0046854 GO:0046875 GO:0046934 GO:0048015 GO:0051897 GO:0055118 GO:0070527 GO:0071320 GO:0072672 GO:0097284 GO:1903169 GO:2000270
90.060.3966.370.040.674d0lE GO:0000139 GO:0000166 GO:0004430 GO:0005524 GO:0005737 GO:0005739 GO:0005741 GO:0005768 GO:0005783 GO:0005794 GO:0005829 GO:0006661 GO:0006898 GO:0007165 GO:0012505 GO:0016020 GO:0016301 GO:0016310 GO:0016740 GO:0030867 GO:0046854 GO:0048015 GO:0048471 GO:0071889
100.060.4356.310.070.725dfzC GO:0000166 GO:0000329 GO:0000407 GO:0004672 GO:0005524 GO:0005643 GO:0005768 GO:0005777 GO:0005794 GO:0006468 GO:0006810 GO:0006914 GO:0010008 GO:0015031 GO:0016020 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0030242 GO:0032968 GO:0034271 GO:0034272 GO:0036092 GO:0046854 GO:0048015 GO:0071561
110.060.3696.110.050.604bfrA GO:0000166 GO:0001935 GO:0001952 GO:0005524 GO:0005634 GO:0005730 GO:0005737 GO:0005886 GO:0005942 GO:0006874 GO:0006897 GO:0006914 GO:0007155 GO:0007156 GO:0009611 GO:0010628 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0030168 GO:0031526 GO:0035005 GO:0036092 GO:0040016 GO:0043560 GO:0045171 GO:0046854 GO:0046934 GO:0048015 GO:0060055
120.060.3815.230.100.554p0gA GO:0000270 GO:0008933 GO:0009279 GO:0016020 GO:0016829 GO:0016837 GO:0016998 GO:0071555
130.060.4066.230.050.661e8wA GO:0000166 GO:0001525 GO:0002376 GO:0004674 GO:0005524 GO:0005737 GO:0005886 GO:0005942 GO:0006468 GO:0006897 GO:0006935 GO:0006954 GO:0016020 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0035005 GO:0036092 GO:0046854 GO:0046934 GO:0048015
140.060.3886.050.050.641e7uA GO:0000166 GO:0001525 GO:0002376 GO:0004674 GO:0005524 GO:0005737 GO:0005886 GO:0005942 GO:0006468 GO:0006897 GO:0006935 GO:0006954 GO:0016020 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0035005 GO:0036092 GO:0046854 GO:0046934 GO:0048015
150.060.3595.770.040.561he8A GO:0000166 GO:0001525 GO:0001816 GO:0001932 GO:0002250 GO:0002376 GO:0002407 GO:0002675 GO:0002679 GO:0004672 GO:0004674 GO:0005524 GO:0005737 GO:0005829 GO:0005886 GO:0005942 GO:0005944 GO:0006468 GO:0006661 GO:0006897 GO:0006935 GO:0006954 GO:0007186 GO:0007204 GO:0010818 GO:0010897 GO:0014065 GO:0016020 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0030168 GO:0030593 GO:0032252 GO:0033628 GO:0035004 GO:0035005 GO:0035747 GO:0036092 GO:0042098 GO:0042110 GO:0042629 GO:0043085 GO:0043303 GO:0043406 GO:0045087 GO:0046854 GO:0046875 GO:0046934 GO:0048015 GO:0051897 GO:0055118 GO:0070527 GO:0071320 GO:0072672 GO:0097284 GO:1903169 GO:2000270
160.060.3716.340.060.634lqlA GO:0005737 GO:0005975 GO:0005996 GO:0008152 GO:0008733 GO:0016853 GO:0016861 GO:0019568 GO:0019569 GO:0046872
170.060.4325.950.050.695dxhA GO:0000166 GO:0001525 GO:0001889 GO:0001944 GO:0004674 GO:0005524 GO:0005622 GO:0005829 GO:0005886 GO:0005942 GO:0005943 GO:0006006 GO:0006468 GO:0006661 GO:0006909 GO:0007173 GO:0010468 GO:0014066 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0030027 GO:0030168 GO:0030295 GO:0031295 GO:0032147 GO:0033138 GO:0035004 GO:0035005 GO:0036092 GO:0038028 GO:0038095 GO:0038096 GO:0038128 GO:0040014 GO:0043457 GO:0043491 GO:0043524 GO:0043542 GO:0043560 GO:0044029 GO:0046854 GO:0046934 GO:0048010 GO:0048015 GO:0050852 GO:0050900 GO:0060048 GO:0060612 GO:0071333 GO:0097009 GO:0098779 GO:2000270 GO:2000653 GO:2000811
180.060.3636.190.040.595dxuA GO:0000166 GO:0001779 GO:0001816 GO:0002250 GO:0002376 GO:0002551 GO:0002679 GO:0005524 GO:0005737 GO:0005829 GO:0005886 GO:0005942 GO:0006468 GO:0006661 GO:0006935 GO:0006954 GO:0007165 GO:0010628 GO:0010818 GO:0014065 GO:0014066 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0030101 GO:0030154 GO:0030217 GO:0030335 GO:0030593 GO:0035004 GO:0035005 GO:0035747 GO:0035754 GO:0036092 GO:0042110 GO:0042113 GO:0042629 GO:0043303 GO:0045087 GO:0046854 GO:0046934 GO:0048015 GO:0050852 GO:0050853 GO:0060374 GO:0072672


Consensus prediction of GO terms
 
Molecular Function GO:0035004 GO:0032550 GO:0052742 GO:0035639 GO:0032559 GO:0004553 GO:0016837 GO:0008933
GO-Score 0.36 0.36 0.36 0.36 0.36 0.31 0.31 0.31
Biological Processes GO:0046834 GO:0006661 GO:0048017 GO:0009253 GO:0071555
GO-Score 0.36 0.36 0.36 0.31 0.31
Cellular Component GO:0016020 GO:0030288
GO-Score 0.39 0.31

(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.