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I-TASSER results for job id Rv1778c

[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 4 1ux7A CA Rep, Mult 6,8,9,134
20.05 3 1gwlA BMA Rep, Mult 16,57,121,123
30.05 3 2qbxA III Rep, Mult 12,13,14,44,47,48,99,130,131,132
40.03 2 3wnmA GLC Rep, Mult 12,14,130
50.03 2 3vbiC BCT Rep, Mult 75,76
60.03 2 2y6gA BGC Rep, Mult 18,81,119,121
70.03 2 1opoB CA Rep, Mult 9,14
80.02 1 2e26A CA Rep, Mult 44,46,98
90.02 1 2farA MN Rep, Mult 42,44,134
100.02 1 1vclA CA Rep, Mult 44,45,47,66
110.02 1 2aj8A SC3 Rep, Mult 6,26
120.02 1 3achA BGC Rep, Mult 17,82,84
130.02 1 3pe7A CA Rep, Mult 123,125
140.02 1 3lm8C VIB Rep, Mult 48,50
150.02 1 1sbdA UUU Rep, Mult 7,20,21,116,117
160.02 1 2g4lA SO4 Rep, Mult 62,64,65
170.02 1 2e26A UUU Rep, Mult 20,69,71,72,79
180.02 1 2c1lB BCT Rep, Mult 72,89

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
10.0601uwwA0.5493.620.0650.7993.2.1.442,117
20.0602z4fA0.5053.630.0180.7382.7.10.1107
30.0601kgyA0.5723.670.0630.8392.7.10.190
40.0601p8jA0.5373.770.0560.7993.4.21.75NA
50.0601yq2A0.5203.660.0730.7383.2.1.23123
60.0603c8xA0.5543.640.0760.7992.7.10.190
70.0601lnsA0.5583.920.0650.8263.4.14.11NA
80.0601nx9A0.5644.000.0450.8393.1.1.43NA
90.0601kfxL0.5243.980.0560.7853.4.22.53NA
100.0602vtcA0.5174.200.0760.8123.2.1.458
110.0602rfwA0.5484.050.0720.8593.2.1.919,21
120.0603dgtA0.5214.290.0890.8263.2.1.39NA
130.0601a39A0.5424.020.0420.8523.2.1.413
140.0602nqaB0.3145.120.0360.5573.4.22.53,3.4.22.5254
150.0602q1fA0.5363.840.0600.7854.2.2.2135
160.0603ovwA0.5344.060.0570.8523.2.1.4NA
170.0601eusA0.3634.770.0520.6313.2.1.18NA
180.0601pmjX0.5673.730.0640.8263.2.1.787,20,24
190.0601eutA0.5243.400.1080.7383.2.1.18NA

(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
00.130.5083.950.070.772v5yA GO:0001937 GO:0004721 GO:0004725 GO:0005001 GO:0005737 GO:0005887 GO:0005911 GO:0005913 GO:0006470 GO:0007155 GO:0007156 GO:0007165 GO:0010596 GO:0010842 GO:0016020 GO:0016021 GO:0016311 GO:0016525 GO:0016787 GO:0016791 GO:0030027 GO:0031175 GO:0031290 GO:0035335 GO:0042493 GO:0042802 GO:0045296 GO:0045909 GO:0048471
10.070.5133.330.060.713j40H GO:0098021
20.070.5783.670.050.842x11A GO:0000166 GO:0001501 GO:0001525 GO:0001568 GO:0001570 GO:0001649 GO:0004672 GO:0004713 GO:0004714 GO:0005003 GO:0005524 GO:0005622 GO:0005886 GO:0005887 GO:0005913 GO:0005925 GO:0006468 GO:0006915 GO:0007155 GO:0007169 GO:0007275 GO:0008630 GO:0009986 GO:0010591 GO:0014028 GO:0016020 GO:0016021 GO:0016032 GO:0016301 GO:0016310 GO:0016477 GO:0016740 GO:0018108 GO:0021915 GO:0030054 GO:0030154 GO:0030182 GO:0030216 GO:0030316 GO:0031256 GO:0031258 GO:0032587 GO:0033598 GO:0033628 GO:0036342 GO:0042995 GO:0043491 GO:0043535 GO:0045765 GO:0046849 GO:0048013 GO:0048320 GO:0048570 GO:0051898 GO:0060035 GO:0060326 GO:0060444 GO:0070309 GO:0070372 GO:0070848 GO:0090004 GO:0090630 GO:0098609 GO:0098641
30.070.5913.530.070.854m4rA GO:0000166 GO:0004672 GO:0004713 GO:0004714 GO:0005003 GO:0005004 GO:0005005 GO:0005524 GO:0005737 GO:0005741 GO:0005768 GO:0005769 GO:0005783 GO:0005794 GO:0005886 GO:0005887 GO:0006468 GO:0007155 GO:0007169 GO:0007275 GO:0007399 GO:0007411 GO:0007628 GO:0008045 GO:0008347 GO:0009986 GO:0014069 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0018108 GO:0021957 GO:0030054 GO:0030175 GO:0030424 GO:0030425 GO:0031594 GO:0031901 GO:0042731 GO:0042802 GO:0042995 GO:0043087 GO:0043197 GO:0043204 GO:0043507 GO:0043679 GO:0044295 GO:0044297 GO:0045202 GO:0045211 GO:0046777 GO:0046875 GO:0048013 GO:0048681 GO:0048710 GO:0050770 GO:0050775 GO:0061001 GO:0072178 GO:0097155 GO:0097156 GO:0097161 GO:2001108
40.070.5753.580.070.833nruE GO:0000166 GO:0001934 GO:0004672 GO:0004713 GO:0004714 GO:0005003 GO:0005004 GO:0005524 GO:0005886 GO:0005887 GO:0006468 GO:0006915 GO:0007169 GO:0007275 GO:0007399 GO:0007420 GO:0008046 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0018108 GO:0022407 GO:0030425 GO:0031290 GO:0031594 GO:0031952 GO:0043025 GO:0043065 GO:0043281 GO:0043525 GO:0045211 GO:0045499 GO:0046875 GO:0048013 GO:0048671 GO:0048755 GO:0050730 GO:0050919 GO:0051964 GO:0070372 GO:0072178
50.070.5713.720.060.843p1iA GO:0000166 GO:0001525 GO:0001655 GO:0004672 GO:0004713 GO:0004714 GO:0005003 GO:0005524 GO:0005576 GO:0005829 GO:0005886 GO:0005887 GO:0006468 GO:0007169 GO:0007275 GO:0007399 GO:0007411 GO:0007413 GO:0008046 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016477 GO:0016740 GO:0018108 GO:0021952 GO:0022038 GO:0022407 GO:0030425 GO:0031290 GO:0034446 GO:0042995 GO:0043087 GO:0046777 GO:0048013 GO:0048538 GO:0048546 GO:0050770 GO:0051965 GO:0060021 GO:0060996 GO:0060997
60.070.5693.640.050.834et7A GO:0000166 GO:0004672 GO:0004713 GO:0004714 GO:0005003 GO:0005004 GO:0005005 GO:0005524 GO:0005791 GO:0005886 GO:0005887 GO:0006468 GO:0007169 GO:0007399 GO:0007411 GO:0009897 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0018108 GO:0019933 GO:0021766 GO:0030424 GO:0030425 GO:0032793 GO:0032956 GO:0042995 GO:0043025 GO:0043087 GO:0048013 GO:0048471 GO:0048666 GO:0061178
70.070.5643.700.080.832hleA GO:0000166 GO:0001525 GO:0002042 GO:0003007 GO:0004672 GO:0004713 GO:0004714 GO:0005003 GO:0005524 GO:0005576 GO:0005829 GO:0005886 GO:0005887 GO:0006468 GO:0007155 GO:0007169 GO:0007275 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0018108 GO:0046777 GO:0048013 GO:0070062
80.070.4904.440.070.814l0pA GO:0000166 GO:0004672 GO:0004713 GO:0004714 GO:0005003 GO:0005004 GO:0005524 GO:0005576 GO:0005769 GO:0005886 GO:0005887 GO:0006468 GO:0007155 GO:0007169 GO:0010717 GO:0010976 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016477 GO:0016740 GO:0018108 GO:0032956 GO:0043087 GO:0048013 GO:0051893 GO:0070507 GO:0071300 GO:0097155 GO:0097156
90.070.5763.430.040.833etpA GO:0000166 GO:0000902 GO:0001525 GO:0001655 GO:0004672 GO:0004713 GO:0004714 GO:0004872 GO:0005003 GO:0005005 GO:0005102 GO:0005524 GO:0005886 GO:0005887 GO:0006468 GO:0007169 GO:0007275 GO:0007399 GO:0007411 GO:0007413 GO:0007612 GO:0008046 GO:0009887 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0018108 GO:0021631 GO:0021952 GO:0022038 GO:0030424 GO:0030425 GO:0031290 GO:0042472 GO:0042802 GO:0042995 GO:0043025 GO:0045202 GO:0048013 GO:0048168 GO:0048170 GO:0048593 GO:0050770 GO:0050771 GO:0050878 GO:0051965 GO:0060021 GO:0060996 GO:0060997 GO:0071679
100.070.5243.170.100.704a44A GO:0046872
110.060.4514.890.040.742ibgA GO:0001751 GO:0007224 GO:0008158 GO:0008201 GO:0008589 GO:0009986 GO:0016020 GO:0016021 GO:0035017 GO:0035222 GO:0042803 GO:0045746 GO:0045880 GO:0048749 GO:0097108
120.060.4075.070.070.682q7nA GO:0004896 GO:0004897 GO:0004923 GO:0004924 GO:0005127 GO:0005576 GO:0005886 GO:0008284 GO:0010656 GO:0014070 GO:0016020 GO:0016021 GO:0019221 GO:0019838 GO:0019955 GO:0031100 GO:0034097 GO:0038165 GO:0043235 GO:0046982 GO:0048812 GO:0048861 GO:0070062 GO:0070120
130.060.3754.210.060.571tdqA GO:0005178 GO:0005576 GO:0005578 GO:0007155 GO:0007162 GO:0007399 GO:0050767
140.060.4034.820.060.663e0gA GO:0004896 GO:0004897 GO:0004923 GO:0004924 GO:0005127 GO:0005576 GO:0005886 GO:0005887 GO:0007166 GO:0008284 GO:0010656 GO:0014070 GO:0016020 GO:0016021 GO:0019221 GO:0019838 GO:0019955 GO:0031100 GO:0034097 GO:0038165 GO:0043235 GO:0046982 GO:0048812 GO:0048861 GO:0070062 GO:0070120
150.060.3833.580.060.564bq6A GO:0004872 GO:0005654 GO:0005794 GO:0005886 GO:0005887 GO:0006355 GO:0007155 GO:0007399 GO:0007411 GO:0007520 GO:0016020 GO:0016021 GO:0030513 GO:0039706 GO:0045296 GO:0050709 GO:0051149 GO:0055072 GO:0070700 GO:0098797
160.060.3984.590.070.643f7qA GO:0001664 GO:0004872 GO:0005634 GO:0005886 GO:0006914 GO:0007154 GO:0007155 GO:0007160 GO:0007229 GO:0008305 GO:0009611 GO:0009986 GO:0016020 GO:0016021 GO:0030054 GO:0030056 GO:0030198 GO:0031252 GO:0031581 GO:0031994 GO:0035878 GO:0038132 GO:0043235 GO:0043588 GO:0048333 GO:0048565 GO:0048870 GO:0070062 GO:0072001 GO:0097186
170.060.3634.370.090.574n68A GO:0005737 GO:0005886 GO:0007155 GO:0007605 GO:0016020 GO:0031225
180.060.3704.910.060.603lpwA GO:0000166 GO:0000794 GO:0002020 GO:0002576 GO:0003300 GO:0004672 GO:0004674 GO:0004713 GO:0005509 GO:0005516 GO:0005524 GO:0005576 GO:0005634 GO:0005737 GO:0005829 GO:0005859 GO:0005865 GO:0006468 GO:0006936 GO:0006941 GO:0007076 GO:0008307 GO:0016301 GO:0016310 GO:0016740 GO:0018108 GO:0019899 GO:0019901 GO:0030018 GO:0030049 GO:0030240 GO:0030241 GO:0031430 GO:0031433 GO:0031674 GO:0035995 GO:0042802 GO:0042805 GO:0043621 GO:0045214 GO:0045859 GO:0046872 GO:0048739 GO:0048769 GO:0050790 GO:0051015 GO:0051371 GO:0051592 GO:0055003 GO:0055008 GO:0060048 GO:0070062 GO:0097493
190.060.3753.640.040.554urtB GO:0001764 GO:0004888 GO:0005042 GO:0005829 GO:0005886 GO:0006915 GO:0007275 GO:0007399 GO:0007409 GO:0007411 GO:0010977 GO:0016020 GO:0016021 GO:0021965 GO:0030424 GO:0033563 GO:0033564 GO:0038007 GO:0048671 GO:0097192 GO:1901214 GO:2000171
200.060.3683.920.130.562cumA GO:0005178 GO:0005518 GO:0005576 GO:0005578 GO:0005583 GO:0005615 GO:0005622 GO:0006629 GO:0006631 GO:0006641 GO:0007155 GO:0007160 GO:0008201 GO:0016337 GO:0030036 GO:0030198 GO:0030199 GO:0031012 GO:0032963 GO:0043206 GO:0043506 GO:0048251 GO:0070062


Consensus prediction of GO terms
 
Molecular Function GO:0005515 GO:0032559 GO:0032550 GO:0035639 GO:0004714
GO-Score 0.38 0.37 0.37 0.37 0.37
Biological Processes GO:0022610 GO:0007411 GO:0007169 GO:0006468 GO:0018212
GO-Score 0.49 0.38 0.37 0.37 0.37
Cellular Component GO:0031226 GO:0044424 GO:0005911 GO:0005912
GO-Score 0.59 0.38 0.38 0.38

(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.