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I-TASSER results for job id Rv1879

[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
10.67 47 4v1yF FE Rep, Mult 22,24,232,266,320,321
20.05 3 2qpxA ZN Rep, Mult 174,179,232,266
30.04 4 2vc5B CO Rep, Mult 22,174,232,266,290,320
40.02 2 1hzyA PEL Rep, Mult 312,313,360,363,364,369

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
10.2492q01C0.7784.220.1220.9665.3.1.12299,320
20.1611zzmA0.5064.200.1190.6303.1.21.-NA
30.0672vc7B0.5404.010.1040.6643.1.8.1175,295,320
40.0601a5kC0.5284.670.0970.6853.5.1.5NA
50.0601qw7A0.5623.860.1200.6803.1.8.1320
60.0601itqA0.5634.270.1250.7013.4.13.19NA
70.0602ftyA0.5474.750.1260.7143.5.2.2320
80.0601a0eD0.5195.700.0610.7545.3.1.5289,295
90.0601gkrA0.5364.770.1250.6913.5.2.2320
100.0602z00A0.5234.880.1210.6933.5.2.3303
110.0602v3eA0.5185.220.0810.7173.2.1.45110,267
120.0601a0dD0.5185.660.0810.7575.3.1.5NA
130.0601a0dA0.5185.660.0810.7575.3.1.5293
140.0601j5sA0.7783.880.0940.9425.3.1.1224,269
150.0602a3lA0.5475.260.0910.7653.5.4.6NA
160.0602z26A0.5424.230.1050.6693.5.2.3320
170.0603iacA0.7544.080.1090.9315.3.1.12288,320
180.0601a4lA0.5264.760.1040.6983.5.4.4266,268
190.0601a5lC0.5284.680.0970.6853.5.1.5319
200.0602zc1A0.5473.770.1250.6613.1.8.1236,265
210.0601kraC0.5274.690.0970.6853.5.1.5174
220.0602vr2A0.5554.530.1040.7043.5.2.2NA

(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
00.290.7813.760.120.944i6vB GO:0006064 GO:0008880 GO:0016787 GO:0016853 GO:0046872
10.250.7573.830.150.912pnkA GO:0008880 GO:0046872
20.240.5764.030.140.713irsA GO:0016787
30.220.7783.880.090.941j5sA GO:0006064 GO:0008880 GO:0016853
40.210.9161.570.270.952qpxA GO:0016787 GO:0046872
50.150.7774.220.120.972q01B GO:0006064 GO:0008880 GO:0016853
60.150.5284.630.100.684qroA GO:0016787 GO:0046872
70.140.7743.960.110.953iacA GO:0006064 GO:0008880 GO:0016853
80.120.5084.320.120.644icmA GO:0016787 GO:0046872
90.070.5284.600.110.682dvtA GO:0016787 GO:0046872
100.070.5224.700.130.684ofcA GO:0001760 GO:0005829 GO:0006568 GO:0006569 GO:0008270 GO:0016787 GO:0016829 GO:0016831 GO:0046872 GO:0046874 GO:0051259 GO:0070062 GO:1904984 GO:1905004 GO:1905012
110.070.4405.600.050.653wdhA GO:0003824 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0046872 GO:0051060
120.060.4574.860.070.621h7rA GO:0003824 GO:0004655 GO:0005829 GO:0006779 GO:0006782 GO:0006783 GO:0008270 GO:0016829 GO:0032791 GO:0033014 GO:0046872
130.060.3985.040.040.564k3zA GO:0016491 GO:0055114
140.060.3755.780.070.563v1hA GO:0004436 GO:0005576 GO:0006629 GO:0008081 GO:0009405 GO:0016042 GO:0016829
150.060.4074.570.060.533n2bA GO:0003824 GO:0008652 GO:0008836 GO:0009085 GO:0009089 GO:0016829 GO:0016831 GO:0030170
160.060.3337.330.100.593ij3A GO:0004177 GO:0005622 GO:0005737 GO:0006508 GO:0008233 GO:0008235 GO:0016787 GO:0019538 GO:0030145 GO:0046872
170.060.3176.730.040.532z72A GO:0004725 GO:0016787 GO:0035335 GO:0046872
180.060.3456.000.070.533kzhA GO:0016301 GO:0016310 GO:0016740
190.060.3086.710.020.511w52X GO:0004806 GO:0005576 GO:0006629 GO:0046872 GO:0052689
200.060.2776.950.030.474bhwA GO:0000122 GO:0000123 GO:0000785 GO:0000978 GO:0000979 GO:0001047 GO:0001085 GO:0001102 GO:0001159 GO:0001228 GO:0001666 GO:0001756 GO:0001889 GO:0001934 GO:0002039 GO:0002223 GO:0003677 GO:0003682 GO:0003684 GO:0003700 GO:0003712 GO:0003713 GO:0003823 GO:0004402 GO:0004468 GO:0005634 GO:0005654 GO:0005667 GO:0005737 GO:0006283 GO:0006351 GO:0006355 GO:0006366 GO:0006473 GO:0006475 GO:0006915 GO:0006977 GO:0006990 GO:0007049 GO:0007219 GO:0007399 GO:0007507 GO:0007519 GO:0007613 GO:0007623 GO:0008013 GO:0008022 GO:0008134 GO:0008270 GO:0009749 GO:0009887 GO:0010506 GO:0010560 GO:0010628 GO:0010942 GO:0014070 GO:0014737 GO:0016032 GO:0016407 GO:0016573 GO:0016740 GO:0016746 GO:0018076 GO:0018393 GO:0019901 GO:0030183 GO:0030220 GO:0030307 GO:0030324 GO:0031324 GO:0031325 GO:0031490 GO:0032025 GO:0032092 GO:0032403 GO:0032481 GO:0032526 GO:0032967 GO:0032993 GO:0033160 GO:0033613 GO:0034212 GO:0034612 GO:0034644 GO:0035066 GO:0035257 GO:0035259 GO:0035690 GO:0035855 GO:0035984 GO:0042493 GO:0042542 GO:0042771 GO:0042975 GO:0043154 GO:0043388 GO:0043425 GO:0043491 GO:0043627 GO:0043923 GO:0043966 GO:0043967 GO:0043969 GO:0045444 GO:0045471 GO:0045727 GO:0045773 GO:0045793 GO:0045815 GO:0045862 GO:0045893 GO:0045944 GO:0046332 GO:0046872 GO:0048511 GO:0048565 GO:0050681 GO:0050714 GO:0050821 GO:0051019 GO:0051059 GO:0051091 GO:0051592 GO:0051726 GO:0060177 GO:0060298 GO:0060548 GO:0060765 GO:0061418 GO:0065004 GO:0070301 GO:0070542 GO:0071236 GO:0071300 GO:0071320 GO:0071333 GO:0071389 GO:0071407 GO:0071548 GO:0071549 GO:0090043 GO:0097157 GO:1900034 GO:1901796 GO:1901985 GO:1904837 GO:1990090 GO:1990405 GO:2000629
210.060.2705.580.060.402wc1A GO:0009055 GO:0009399 GO:0010181 GO:0055114
220.060.2446.640.040.405iz1A GO:0005975 GO:0016311 GO:0016787 GO:0042132 GO:0042578
230.060.2066.740.020.342i82A GO:0000455 GO:0001522 GO:0003723 GO:0006364 GO:0008033 GO:0009451 GO:0009982 GO:0016853 GO:0019239 GO:0031118 GO:0031119


Consensus prediction of GO terms
 
Molecular Function GO:0008880 GO:0046872 GO:0016787
GO-Score 0.58 0.58 0.57
Biological Processes GO:0006064
GO-Score 0.44
Cellular Component
GO-Score

(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.