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I-TASSER results for job id Rv1976c

[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
10.18 7 1dckB MN Rep, Mult 6,22,70,72
20.10 4 2wksA CB6 Rep, Mult 68,70,78,95,96,97
30.09 3 1zdmA XE Rep, Mult 5,6,29,68,69,70,96
40.05 2 3zt9A MN Rep, Mult 6,7,11,12
50.03 1 1ny6H ADP Rep, Mult 29,30,31,32
60.03 1 2c4v0 III Rep, Mult 36,93,99,101,111,112,113,114,115,124,125,128
70.03 1 3m9gA ZN Rep, Mult 99,110

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
10.2121bdjA0.6063.300.1030.8592.7.13.377,79,111
20.1282kyrA0.4883.470.0800.6892.7.1.6928,34
30.0971uqrK0.6353.270.0920.9114.2.1.1072,98
40.0941y80A0.6382.500.0730.8002.1.1.13NA
50.0832uygA0.6323.250.0720.8814.2.1.1014,92
60.0832r25B0.6652.620.0700.8222.7.13.3NA
70.0832uygL0.6313.260.0720.8814.2.1.1072
80.0681iibA0.5043.620.0790.7482.7.1.6969,71
90.0671h0rA0.6233.370.0900.8814.2.1.1092
100.0671gqoB0.6293.290.1190.8894.2.1.1014,92
110.0671d0iH0.6443.270.1160.9114.2.1.1014,92
120.0673lwzA0.6353.430.1010.9114.2.1.1072
130.0671uqrD0.6393.340.0840.9184.2.1.1014
140.0671b1aA0.5763.310.0810.8225.4.99.1NA
150.0671be1A0.5713.400.0710.8305.4.99.1NA
160.0662fewB0.5112.650.0880.6592.7.1.6925,32,47
170.0661tvmA0.5202.790.0770.6592.7.1.6931
180.0603bicB0.6542.850.0850.8595.4.99.223
190.0603do6A0.6533.020.1000.8676.3.4.3NA
200.0603esbA0.5244.030.0580.8373.1.1.74NA
210.0603bc1A0.6433.060.0590.8813.6.5.2NA
220.0602i2xB0.6492.730.0850.8302.1.1.90NA
230.0601e1cA0.6482.770.0950.8445.4.99.2NA
240.0602vycA0.6583.120.0890.9114.1.1.19NA
250.0602q0sH0.6323.750.1110.9333.1.1.274
260.0602vg8A0.6722.570.1050.8442.4.1.218NA
270.0601reqA0.6462.770.0950.8445.4.99.251
280.0603mwdB0.6672.550.0880.8442.3.3.8NA
290.0601t34A0.6583.230.0500.8964.6.1.2NA
300.0602c4wA0.6793.150.0830.9264.2.1.10NA
310.0601t0iA0.6383.010.1030.8591.5.1.2978
320.0602bd0A0.6662.350.0680.8301.1.1.153NA
330.0601cb7A0.6392.700.0880.8225.4.99.1NA
340.0602v0nA0.6662.530.1140.8442.7.7.65NA
350.0602elfA0.6383.090.0600.8673.6.1.48100
360.0601auoA0.6452.740.0620.8373.1.1.1NA

(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
00.300.7012.260.110.842qv0A GO:0000160 GO:0003677 GO:0005622 GO:0006351 GO:0006355
10.270.6212.780.120.841nxpA GO:0000160 GO:0003677 GO:0005622 GO:0006351 GO:0006355 GO:0046872
20.270.6532.300.100.812qxyA GO:0000160 GO:0005622
30.260.6942.320.090.843jteA GO:0000160 GO:0003824 GO:0005622
40.260.6532.820.100.843hebA GO:0000160 GO:0005622
50.250.6102.900.140.833f6pA GO:0000160 GO:0003677 GO:0005737 GO:0006351 GO:0006355
60.240.6642.610.140.843kcnB GO:0000160 GO:0005622
70.240.6223.020.080.853gt7A GO:0000155 GO:0000160 GO:0005622 GO:0007165 GO:0016301 GO:0016310 GO:0016772 GO:0023014
80.220.6662.460.120.821zgzA GO:0000156 GO:0000160 GO:0003677 GO:0005737 GO:0006351 GO:0006355
90.220.5803.440.050.844hnqA GO:0000160 GO:0005622 GO:0046872
100.210.5983.040.090.823i42A GO:0000160 GO:0005622
110.210.6372.580.090.813eqzB GO:0000156 GO:0000160 GO:0005622
120.210.6682.340.130.824uhkA GO:0000160 GO:0003677 GO:0003700 GO:0005737 GO:0005829 GO:0006351 GO:0006355 GO:0010810 GO:0045892 GO:0045893
130.210.6532.360.090.793a0rB GO:0000160 GO:0005622 GO:0046872
140.200.6262.870.130.811p6qA GO:0000160 GO:0005622
150.200.6212.750.100.824nicA GO:0000160 GO:0003677 GO:0005622 GO:0006351 GO:0006355
160.200.6102.920.150.823lteD GO:0000160 GO:0003677 GO:0005622
170.200.6272.980.100.851l5yB GO:0000160 GO:0000166 GO:0003677 GO:0005524 GO:0005737 GO:0006351 GO:0006355 GO:0008134 GO:0043565
180.190.6882.390.120.842jk1A GO:0000160 GO:0000166 GO:0003677 GO:0005524 GO:0005737 GO:0006351 GO:0006355 GO:0008134 GO:0043565
190.190.6112.950.110.833hdvB GO:0000160 GO:0005622
200.190.6132.760.090.812qr3A GO:0000160 GO:0000166 GO:0003677 GO:0005524 GO:0005622 GO:0006351 GO:0006355 GO:0008134 GO:0043565
210.190.6053.350.100.863rvrB GO:0000160 GO:0000287 GO:0005737 GO:0005829 GO:0006473 GO:0006935 GO:0016407 GO:0018393 GO:0046872 GO:0071973 GO:0097588
220.180.6502.760.090.853khtA GO:0000160 GO:0003677 GO:0005622
230.170.6143.020.120.845e3jA GO:0000160 GO:0003677 GO:0005622 GO:0006351 GO:0006355
240.160.6522.500.080.813luaA GO:0000160 GO:0005622
250.160.6612.230.090.801tmyA GO:0000160 GO:0005737 GO:0006935 GO:0046872 GO:0097588
260.160.6652.620.070.822r25B GO:0000155 GO:0000156 GO:0000160 GO:0000166 GO:0004673 GO:0005034 GO:0005524 GO:0005622 GO:0005886 GO:0005887 GO:0006469 GO:0007165 GO:0007234 GO:0009927 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0018106 GO:0023014 GO:0046777 GO:0046872
270.160.6592.530.110.832pl1A GO:0000160 GO:0003677 GO:0005737 GO:0005829 GO:0006351 GO:0006355 GO:0042802
280.160.6382.800.150.851xheB GO:0000156 GO:0000160 GO:0003677 GO:0003700 GO:0005737 GO:0005829 GO:0006351 GO:0006355 GO:0042802 GO:0045892 GO:0045893
290.150.6532.850.170.845ic5A GO:0000160 GO:0005622
300.150.6912.420.070.863cu5B GO:0000160 GO:0003677 GO:0003700 GO:0005622 GO:0006351 GO:0006355 GO:0043565
310.150.7052.250.100.852rjnA GO:0000160 GO:0005622 GO:0016787
320.130.6142.950.120.833t6kA GO:0000160 GO:0005622
330.120.6872.740.120.904cbvF GO:0000160 GO:0003677 GO:0005622 GO:0006351 GO:0006355
340.120.6202.940.100.841m5tA GO:0000160 GO:0005622 GO:0046872
350.110.6862.330.150.841dbwB GO:0000160 GO:0003677 GO:0005737 GO:0006351 GO:0006355 GO:0009399 GO:0046872
360.110.6892.410.080.853hv2A GO:0000156 GO:0000160 GO:0005622
370.110.6072.260.130.731mb0A GO:0000160 GO:0005622 GO:0046872
380.100.6192.960.080.844d6yA GO:0000160 GO:0000166 GO:0003677 GO:0005524 GO:0005622 GO:0006351 GO:0006355 GO:0008134 GO:0043565
390.100.6892.380.100.843cfyA GO:0000160 GO:0000166 GO:0003677 GO:0005524 GO:0005622 GO:0006351 GO:0006355 GO:0008134 GO:0043565
400.100.6082.900.060.823dgeC GO:0000160 GO:0005622 GO:0046872
410.100.6182.840.080.833b2nA GO:0000160 GO:0003677 GO:0005622 GO:0006351 GO:0006355
420.090.6193.080.130.853f7aB GO:0000160 GO:0003824 GO:0005622 GO:0046872
430.090.6692.550.100.852ayxA GO:0000155 GO:0000160 GO:0000166 GO:0004673 GO:0004871 GO:0005524 GO:0005622 GO:0005886 GO:0005887 GO:0006355 GO:0007165 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0018106 GO:0023014 GO:0044010 GO:0046777 GO:0071470
440.090.6602.620.100.843hdgA GO:0000155 GO:0000160 GO:0005622 GO:0007165 GO:0023014 GO:0046872
450.090.6292.800.120.831dc7A GO:0000156 GO:0000160 GO:0000166 GO:0003677 GO:0005524 GO:0005622 GO:0006351 GO:0006355 GO:0006808 GO:0008134 GO:0009399 GO:0043565
460.090.6212.590.140.793m6mD GO:0000155 GO:0000160 GO:0000166 GO:0004673 GO:0004871 GO:0005524 GO:0005622 GO:0005886 GO:0006351 GO:0006355 GO:0007165 GO:0009405 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0018106 GO:0023014
470.090.6712.630.130.851yioA GO:0000160 GO:0003677 GO:0005622 GO:0006351 GO:0006355 GO:0046872
480.090.5562.710.090.724qwvA GO:0000160 GO:0005737 GO:0006865 GO:0006935 GO:0046872 GO:0097588
490.090.6722.630.110.843dzdA GO:0000160 GO:0000166 GO:0003677 GO:0005524 GO:0005622 GO:0006351 GO:0006355 GO:0008134 GO:0043565
500.080.6073.150.100.843eulB GO:0000160 GO:0003677 GO:0005737 GO:0006351 GO:0006355
510.080.5853.380.120.843cg4A GO:0000160 GO:0005622 GO:0046872
520.080.6502.870.120.864zylB GO:0000160 GO:0005622
530.080.6622.730.130.844q7eA GO:0000160 GO:0003677 GO:0005622 GO:0006351 GO:0006355
540.070.6492.510.060.813hzhA GO:0000160 GO:0005622 GO:0046872
550.070.6452.670.050.832qvgA GO:0000160 GO:0005622 GO:0016740
560.070.6292.650.080.803kyjB GO:0000160 GO:0005622
570.070.6492.730.120.823t8yB GO:0000156 GO:0000160 GO:0004871 GO:0005737 GO:0006935 GO:0007165 GO:0008984 GO:0016787
580.070.6482.460.080.804eukA GO:0000155 GO:0000160 GO:0004673 GO:0005737 GO:0005773 GO:0005886 GO:0006952 GO:0007165 GO:0007275 GO:0009736 GO:0009738 GO:0009788 GO:0009873 GO:0010105 GO:0016020 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0018106 GO:0023014 GO:0046872 GO:0048364 GO:0070301 GO:0071219 GO:0071732 GO:0090333
590.070.6102.840.110.812jviA GO:0000160 GO:0005737 GO:0016301 GO:0016310 GO:0016740 GO:0030435 GO:0046872
600.070.6242.560.100.795dclA GO:0000160 GO:0003677 GO:0005622 GO:0006351 GO:0006355
610.070.5893.110.080.811mvoA GO:0000160 GO:0003677 GO:0005737 GO:0006351 GO:0006355 GO:0006810 GO:0006817
620.070.6582.640.070.841i3cA GO:0000160 GO:0005622
630.070.5682.350.120.703q15D GO:0000160 GO:0005737 GO:0016301 GO:0016310 GO:0016740 GO:0030435 GO:0046872
640.070.6212.730.080.822hqrA GO:0000160 GO:0003677 GO:0005622 GO:0006351 GO:0006355
650.070.5963.160.090.811s8nA GO:0000160 GO:0003723 GO:0005618 GO:0005622 GO:0005886 GO:0006351 GO:0006355 GO:0031564 GO:0040007
660.070.6372.970.090.871a04A GO:0000160 GO:0000166 GO:0003677 GO:0005524 GO:0005829 GO:0006351 GO:0006355 GO:0010468 GO:0042128 GO:0090352


Consensus prediction of GO terms
 
Molecular Function GO:0043169 GO:0003677
GO-Score 0.55 0.49
Biological Processes GO:0000160 GO:0006355
GO-Score 0.79 0.49
Cellular Component GO:0005622
GO-Score 0.79

(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.