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I-TASSER results for job id Rv2954c

[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
10.52 30 4qnuH GEK Rep, Mult 12,27,46,47,49,68,69,70,73,93,94,95,111,112,113,115,117,215
20.01 1 4fs8A CA Rep, Mult 31,47
30.01 1 3bgdB PM6 Rep, Mult 33,37,134,136,186,219
40.01 1 3ofkA SAH Rep, Mult 10,20,22,26,27,47,49,68,69,70,93,94,111,112,113,116
50.01 1 1l1eA CO3 Rep, Mult 112,115,138,139
60.01 1 3jwgA MG Rep, Mult 47,111
70.01 1 3e8sA SAH Rep, Mult 4,7,14,26,47,48,49,52,68,69,73,89,90,91,111,112

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
10.1922iftA0.5443.140.1440.6602.1.1.5248,58,60
20.1793e05D0.5723.020.1060.6852.1.1.13248,74
30.1443lccA0.5883.510.0930.7302.1.1.-47,74,111
40.0971xxlA0.6623.280.1240.7972.1.1.-NA
50.0783e05B0.5692.960.1010.6762.1.1.132NA
60.0771f38A0.5622.980.1330.6762.1.1.-NA
70.0713hnrA0.5683.670.1320.7142.1.1.-NA
80.0673grzB0.5453.050.1010.6562.1.1.-54
90.0671pjzA0.5653.830.0930.7432.1.1.6798
100.0672cl5A0.5843.660.1040.7432.1.1.672
110.0673bwmA0.5873.720.0880.7472.1.1.663
120.0673cbgA0.5783.450.0700.7182.1.1.-NA
130.0673gdhA0.5693.540.1110.7102.1.1.-NA
140.0672pxxA0.5713.640.0910.7103.4.24.71NA
150.0671nt2A0.5693.450.0920.7012.1.1.-NA
160.0601kphC0.7003.390.0830.8552.1.1.79165
170.0601ri1A0.6193.650.1200.7802.1.1.5624,47
180.0601tw2B0.5963.840.1350.7722.1.1.-NA
190.0603g5tA0.5964.340.0660.8052.1.1.145NA
200.0601jq3A0.6273.660.1290.8012.5.1.1647,71
210.0603c6mD0.5913.490.1020.7342.5.1.22NA
220.0603bwbA0.6133.950.1280.8012.5.1.1649,71
230.0603bgdA0.6313.270.1040.7762.1.1.6797
240.0602b2cA0.5923.930.1660.7762.5.1.1647,68
250.0602aovA0.6203.960.0940.8012.1.1.869
260.0602ex4A0.6283.160.1520.7592.1.1.-NA
270.0602h11B0.6363.150.1090.7762.1.1.6710
280.0601xj5A0.6233.850.1360.8052.5.1.1647
290.0602okcB0.6203.930.0590.8092.1.1.72NA
300.0601ri5A0.6083.810.1170.7722.1.1.56NA
310.0602o06A0.6174.010.1330.8132.5.1.1647,49,124
320.0602a14A0.6243.570.1140.7882.1.1.4947,49,89
330.0603duwA0.6053.470.1040.7552.1.1.-NA
340.0601kpgA0.6823.400.0930.8422.1.1.79125

(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
00.310.6873.350.130.844ax8A GO:0000166 GO:0004672 GO:0005524 GO:0005886 GO:0006468 GO:0008168 GO:0009103 GO:0009243 GO:0016020 GO:0016301 GO:0016310 GO:0016740 GO:0032259
10.310.8102.160.210.904p7cA GO:0002098 GO:0006400 GO:0008033 GO:0016300 GO:0016740 GO:0016765 GO:0030488
20.300.8172.110.200.904qnuA GO:0002098 GO:0006400 GO:0008033 GO:0016300 GO:0016740 GO:0016765 GO:0030488
30.280.5683.670.130.713hnrA GO:0008152 GO:0008168 GO:0008757 GO:0016740 GO:0032259
40.280.6933.280.140.853busA GO:0008152 GO:0008168 GO:0016740 GO:0032259
50.270.5732.930.110.675cm2Z GO:0000049 GO:0002098 GO:0005634 GO:0005737 GO:0005829 GO:0008152 GO:0008168 GO:0008198 GO:0016300 GO:0016706 GO:0030488 GO:0032259 GO:0055114
60.250.5893.720.110.751vlmA GO:0005737 GO:0008152 GO:0008168 GO:0008757 GO:0032259
70.250.6563.480.130.812gluA GO:0005737 GO:0008152 GO:0008168 GO:0008757 GO:0016740 GO:0032259
80.240.6173.160.150.743h2bB GO:0008168 GO:0016740 GO:0032259
90.230.5863.150.080.714qtuB GO:0000056 GO:0000447 GO:0005634 GO:0005730 GO:0005737 GO:0006364 GO:0008152 GO:0008168 GO:0008757 GO:0016435 GO:0016740 GO:0032259 GO:0070476
100.220.6693.640.100.843kkzA GO:0046872 GO:0051536 GO:0051539
110.220.7083.290.080.861l1eA GO:0005737 GO:0006629 GO:0008168 GO:0008610 GO:0008825 GO:0009405 GO:0016740 GO:0032259 GO:0042783 GO:0046500 GO:0052167 GO:0071768
120.210.6563.690.080.833f4kA GO:0005737 GO:0008168 GO:0008757 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
130.210.6183.620.130.763g5lA
140.210.7013.670.110.884krhA GO:0008152 GO:0008168 GO:0032259 GO:0046872 GO:0051536 GO:0051539
150.200.6683.590.120.833e7pA GO:0046872 GO:0051536 GO:0051539
160.200.5543.340.150.683cggA GO:0008168 GO:0016740 GO:0032259
170.200.6213.750.130.793mggB GO:0008168 GO:0016740 GO:0032259
180.190.5963.630.140.752gs9A GO:0008152 GO:0008168 GO:0032259
190.190.6183.650.110.783egeA GO:0008152 GO:0008168 GO:0032259
200.190.5622.980.130.681f38A GO:0006479 GO:0008168 GO:0008276 GO:0009236 GO:0016740 GO:0032259 GO:0046140
210.180.6203.770.130.782avnA GO:0008152 GO:0008168 GO:0016740 GO:0032259
220.170.5763.470.110.723fycA GO:0000154 GO:0000179 GO:0003723 GO:0005737 GO:0006364 GO:0008168 GO:0008649 GO:0016433 GO:0016740 GO:0031167 GO:0032259
230.170.6233.190.110.751ve3B GO:0046872 GO:0051536 GO:0051539
240.170.6413.760.150.801vl5A GO:0008152 GO:0008168 GO:0016740 GO:0032259
250.160.6063.200.080.733sm3A GO:0008152 GO:0008168 GO:0016740 GO:0032259 GO:0046872
260.160.6073.550.150.753ccfB GO:0008152 GO:0008168 GO:0016740 GO:0030798 GO:0032259
270.150.6252.690.140.733e23A GO:0008152 GO:0008168 GO:0032259 GO:0046872 GO:0051536 GO:0051539
280.140.5954.690.130.812yqzA GO:0008152 GO:0008168 GO:0032259 GO:0046872 GO:0051536 GO:0051539
290.120.7063.340.090.861tpyA GO:0005618 GO:0005737 GO:0005886 GO:0006629 GO:0008168 GO:0008610 GO:0008825 GO:0016740 GO:0032259 GO:0071768
300.120.7003.340.080.851kpgA GO:0005737 GO:0005886 GO:0006629 GO:0008168 GO:0008610 GO:0008825 GO:0016740 GO:0032259 GO:0046500 GO:0071768
310.110.4643.960.130.614dzrA GO:0003676 GO:0006479 GO:0008168 GO:0008276 GO:0016740 GO:0018364 GO:0032259 GO:0036009 GO:0046872
320.100.6913.220.130.844uw0A GO:0004672 GO:0005524 GO:0006468
330.100.5244.580.100.734hg2B GO:0008152 GO:0008168 GO:0016740 GO:0032259
340.100.7003.250.120.854pneB GO:0008152 GO:0008168 GO:0016740 GO:0032259
350.080.6533.580.150.794kdcA GO:0005829 GO:0006744 GO:0008168 GO:0008425 GO:0008689 GO:0008757 GO:0016740 GO:0032259 GO:0043431 GO:0061542 GO:0102004
360.070.5753.230.130.713dh0B GO:0005737 GO:0008757 GO:0032259 GO:0046872 GO:0051536 GO:0051539
370.070.6474.260.100.854rsrA GO:0008168 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
380.070.6173.170.130.744qdkA GO:0005737 GO:0008168 GO:0008757 GO:0015979 GO:0015995 GO:0016740 GO:0032259 GO:0036068 GO:0046406
390.070.6283.620.110.785je1A GO:0008168 GO:0016740 GO:0032259
400.070.6353.140.140.763bkwA GO:0008152 GO:0008168 GO:0032259
410.070.6173.390.130.763d2lC GO:0008168 GO:0016740 GO:0032259
420.070.5143.390.100.643i9fB GO:0008152 GO:0008168 GO:0032259 GO:0046872
430.070.5703.830.060.733dlcA GO:0008152 GO:0008168 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
440.070.6264.040.090.823hp7A GO:0003723 GO:0008168 GO:0032259


Consensus prediction of GO terms
 
Molecular Function GO:0016300 GO:0016765 GO:0005524 GO:0004672
GO-Score 0.52 0.52 0.31 0.31
Biological Processes GO:0030488 GO:0002098 GO:0006468 GO:0009243
GO-Score 0.52 0.52 0.31 0.31
Cellular Component GO:0005886
GO-Score 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.