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I-TASSER results for job id Rv3481c

[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
10.07 3 2w72A XE Rep, Mult 21,22,25,49
20.05 2 4xk8l CLA Rep, Mult 22,52,56
30.02 1 1bjyB CTC Rep, Mult 191,195,198
40.02 1 3bwxA CA Rep, Mult 124,127
50.02 1 2b2jA XE Rep, Mult 111,115,207,210,211
60.02 1 3d9sB PS6 Rep, Mult 15,156
70.02 1 2wse1 CLA Rep, Mult 50,54
80.02 1 4o6nB MPG Rep, Mult 141,210,214
90.02 1 1q0kE THJ Rep, Mult 88,91
100.02 1 2axtM UNK Rep, Mult 181,185,194
110.02 1 4fe1B CLA Rep, Mult 18,35
120.02 1 3wmn2 BCL Rep, Mult 97,101
130.02 1 1swiC BNZ Rep, Mult 18,22
140.02 1 2r9rB PGW Rep, Mult 198,213
150.02 1 3oibA IOD Rep, Mult 32,35,202
160.02 1 5egiB DMU Rep, Mult 144,213
170.02 1 3bz1F PL9 Rep, Mult 173,176
180.02 1 3b99A U51 Rep, Mult 95,96,98,99,103,104,139

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
10.0603dsiA0.4275.520.0420.6994.2.1.92180
20.0601tqnA0.4345.630.0540.7381.14.13.67,1.14.13.32,1.14.13.97NA
30.0603juvA0.4335.650.0700.7251.14.13.7030
40.0603dbmA0.4235.390.0420.6864.2.1.9254,59,81
50.0601mx9D0.4225.670.0840.6903.1.1.1NA
60.0601oxaA0.4255.350.0590.6593.4.23.23NA
70.0603eqmA0.4505.630.0640.7511.14.14.1NA
80.0602wm4A0.4215.530.0740.6861.14.-.-NA
90.0602vn0A0.4685.350.0690.7341.14.14.1NA
100.0603e6iA0.4475.720.0720.7381.14.13.-NA
110.0601n6bA0.4445.680.0620.7341.14.14.1NA
120.0602hi4A0.4495.380.0740.7121.14.14.1NA
130.0603k9vA0.4575.140.0550.7121.14.13.-NA
140.0602wuzA0.4415.640.0640.7211.14.13.70175
150.0602f9qA0.4435.400.0640.7071.14.14.1NA
160.0603daxA0.4535.310.0450.7381.14.13.17176
170.0601w0eA0.4085.440.0830.6721.14.13.67,1.14.14.1NA
180.0602ve3A0.4275.440.0630.6861.14.-.-NA
190.0601egyA0.4245.300.0650.6591.14.-.-NA

(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
00.260.6952.700.100.822n4xA GO:0016020 GO:0016021
10.170.4525.630.080.723kw4A GO:0004497 GO:0005506 GO:0005783 GO:0005789 GO:0016020 GO:0016491 GO:0016705 GO:0016712 GO:0020037 GO:0031090 GO:0043231 GO:0046872 GO:0055114 GO:0070330
20.080.4565.720.050.753c6gB GO:0004497 GO:0005506 GO:0005783 GO:0005789 GO:0006766 GO:0008395 GO:0010038 GO:0010164 GO:0010212 GO:0016020 GO:0016491 GO:0016705 GO:0020037 GO:0030343 GO:0031090 GO:0036378 GO:0042359 GO:0043231 GO:0046872 GO:0055114
30.070.4655.050.060.723v8dA GO:0004497 GO:0005506 GO:0005783 GO:0005789 GO:0006629 GO:0006699 GO:0006707 GO:0008123 GO:0008202 GO:0008203 GO:0016020 GO:0016125 GO:0016491 GO:0016705 GO:0020037 GO:0031090 GO:0042632 GO:0043231 GO:0046872 GO:0055114 GO:0070857 GO:0071333 GO:0071397
40.070.4745.210.060.734dvqE GO:0002017 GO:0003091 GO:0004497 GO:0004507 GO:0005506 GO:0005739 GO:0005743 GO:0006629 GO:0006694 GO:0006700 GO:0006705 GO:0008202 GO:0008203 GO:0008395 GO:0016020 GO:0016125 GO:0016491 GO:0016705 GO:0016709 GO:0020037 GO:0031966 GO:0032342 GO:0032870 GO:0034651 GO:0035865 GO:0044550 GO:0046872 GO:0047783 GO:0055075 GO:0055078 GO:0055114 GO:0071375
50.070.4555.460.070.744j14A GO:0004497 GO:0005506 GO:0005783 GO:0005789 GO:0006629 GO:0006699 GO:0006707 GO:0006805 GO:0007399 GO:0008202 GO:0008203 GO:0008395 GO:0016020 GO:0016021 GO:0016125 GO:0016491 GO:0016705 GO:0020037 GO:0031090 GO:0033781 GO:0043231 GO:0046872 GO:0055114
60.070.4485.800.070.763tbgA GO:0004497 GO:0005506 GO:0005739 GO:0005783 GO:0005789 GO:0006629 GO:0006805 GO:0008144 GO:0008202 GO:0008392 GO:0008395 GO:0009804 GO:0009820 GO:0009822 GO:0016020 GO:0016098 GO:0016491 GO:0016705 GO:0016712 GO:0017144 GO:0019369 GO:0019825 GO:0020037 GO:0031090 GO:0033076 GO:0042737 GO:0043231 GO:0046483 GO:0046872 GO:0051100 GO:0055114 GO:0070330 GO:0070989 GO:0090350
70.070.4795.170.060.734kpaA GO:0003824 GO:0003958 GO:0004497 GO:0005506 GO:0005737 GO:0008152 GO:0010181 GO:0016491 GO:0016705 GO:0016712 GO:0020037 GO:0042802 GO:0046872 GO:0055114 GO:0070330
80.070.4665.430.050.743na1A GO:0004497 GO:0005506 GO:0005739 GO:0005743 GO:0005759 GO:0006629 GO:0006694 GO:0006700 GO:0006704 GO:0008202 GO:0008203 GO:0008207 GO:0008386 GO:0016020 GO:0016125 GO:0016491 GO:0016705 GO:0016709 GO:0020037 GO:0031966 GO:0034650 GO:0042359 GO:0044550 GO:0046872 GO:0055114 GO:0071375
90.070.4555.310.060.733mzsA GO:0004497 GO:0005506 GO:0005739 GO:0005743 GO:0006629 GO:0006694 GO:0006700 GO:0006704 GO:0008202 GO:0008203 GO:0008207 GO:0008386 GO:0016020 GO:0016491 GO:0016705 GO:0016709 GO:0020037 GO:0031966 GO:0034650 GO:0042359 GO:0044550 GO:0046872 GO:0055114 GO:0071375
100.070.4685.350.070.732vn0A GO:0004497 GO:0005506 GO:0005783 GO:0005789 GO:0006082 GO:0006805 GO:0008392 GO:0008395 GO:0016020 GO:0016491 GO:0016705 GO:0017144 GO:0019373 GO:0019825 GO:0020037 GO:0031090 GO:0034875 GO:0042738 GO:0043231 GO:0046872 GO:0055114 GO:0070330 GO:0070989 GO:0097267
110.070.4635.440.070.734y8wC GO:0004497 GO:0004509 GO:0005496 GO:0005506 GO:0005783 GO:0005789 GO:0006694 GO:0006704 GO:0006705 GO:0008202 GO:0008289 GO:0008395 GO:0016020 GO:0016125 GO:0016491 GO:0016705 GO:0020037 GO:0031090 GO:0043231 GO:0046872 GO:0055114
120.070.4445.680.060.731n6bA GO:0004497 GO:0005506 GO:0005783 GO:0005789 GO:0016020 GO:0016491 GO:0016705 GO:0020037 GO:0031090 GO:0043231 GO:0046872 GO:0055114 GO:0070330
130.070.4585.400.080.723qz1A GO:0004497 GO:0005496 GO:0005506 GO:0005783 GO:0005789 GO:0006694 GO:0008202 GO:0008289 GO:0008395 GO:0016020 GO:0016491 GO:0016705 GO:0020037 GO:0031090 GO:0043231 GO:0046872 GO:0055114
140.070.4615.260.070.732iagA GO:0001516 GO:0004497 GO:0005506 GO:0005615 GO:0005634 GO:0005737 GO:0005783 GO:0005789 GO:0005901 GO:0006629 GO:0006631 GO:0006633 GO:0006690 GO:0006693 GO:0006769 GO:0007566 GO:0008116 GO:0016020 GO:0016021 GO:0016705 GO:0016853 GO:0019371 GO:0020037 GO:0032088 GO:0035360 GO:0045019 GO:0045766 GO:0046697 GO:0046872 GO:0050728 GO:0055114 GO:0071347 GO:0071354 GO:0071456 GO:0097190 GO:1900119
150.070.4385.530.070.725eqbA GO:0004497 GO:0005506 GO:0005783 GO:0005886 GO:0006629 GO:0006694 GO:0006696 GO:0008202 GO:0008398 GO:0016020 GO:0016021 GO:0016126 GO:0016491 GO:0016705 GO:0020037 GO:0046872 GO:0055114 GO:0070988
160.070.4415.720.050.731z11A GO:0004497 GO:0005506 GO:0005783 GO:0005789 GO:0005881 GO:0008202 GO:0008389 GO:0008392 GO:0008395 GO:0009804 GO:0016020 GO:0016491 GO:0016705 GO:0016712 GO:0017144 GO:0019373 GO:0019899 GO:0020037 GO:0031090 GO:0042738 GO:0043231 GO:0046226 GO:0046872 GO:0055114
170.070.4625.500.050.734gqsA GO:0004497 GO:0005506 GO:0005783 GO:0005789 GO:0006805 GO:0008202 GO:0008392 GO:0008395 GO:0016020 GO:0016098 GO:0016491 GO:0016705 GO:0017144 GO:0018675 GO:0018676 GO:0019373 GO:0019825 GO:0019899 GO:0020037 GO:0031090 GO:0042738 GO:0043231 GO:0046483 GO:0046872 GO:0052741 GO:0055114 GO:0097267
180.070.4415.450.070.724r21B GO:0004497 GO:0004508 GO:0005506 GO:0016491 GO:0016705 GO:0020037 GO:0042448 GO:0046872 GO:0055114


Consensus prediction of GO terms
 
Molecular Function GO:0016712 GO:0005506 GO:0020037
GO-Score 0.34 0.33 0.33
Biological Processes GO:0055114
GO-Score 0.33
Cellular Component GO:0044432 GO:0042175 GO:0031224
GO-Score 0.57 0.57 0.42

(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.