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I-TASSER results for job id Rv0431

[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 4fbyD CLA Rep, Mult 23,26,31
20.05 3 2h9dD PYR Rep, Mult 21,24
30.05 3 3pmvA 557 Rep, Mult 81,94,97,98,99,106,107
40.05 3 3ze3D 78M Rep, Mult 30,33,37,41
50.03 2 1fbmD RTL Rep, Mult 28,35
60.03 2 1mo8A ATP Rep, Mult 98,121,123,134,135
70.03 2 3pmwA G69 Rep, Mult 95,109,136,137,140
80.02 1 1g42A CA Rep, Mult 46,55
90.02 1 3otoK MG Rep, Mult 83,89
100.02 1 1a77A MG Rep, Mult 127,129
110.02 1 2w4xA CA Rep, Mult 127,150,153
120.02 1 1xzoA CA Rep, Mult 107,110
130.02 1 2xxiC JAC Rep, Mult 120,121,136,137
140.02 1 1bzbA UUU Rep, Mult 83,85,87
150.02 1 2xzhA VH2 Rep, Mult 81,97,123,133
160.02 1 1zeiE CRS Rep, Mult 102,103
170.02 1 1lbcA CYZ Rep, Mult 96,99,104,105

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
10.0601mo7A0.2395.140.0240.3963.6.3.9159
20.0602hb6A0.3424.320.0370.5673.4.11.196
30.0602bifA0.3033.180.0450.4023.1.3.46,2.7.1.105102
40.0602pffA0.3724.800.0630.6162.3.1.41,2.3.1.86NA
50.0601gytJ0.3494.420.0550.5733.4.11.1NA
60.0602vhhC0.3293.660.0900.4573.5.1.6124
70.0601m5hC0.3345.220.0310.5612.3.1.101106,112
80.0603kzwA0.3394.740.0610.5673.4.11.194,107
90.0602nsmA0.3414.810.0620.5553.4.17.382
100.0602c9aA0.2205.310.0440.3963.1.3.48159
110.0601bifA0.3053.220.0230.3963.1.3.46,2.7.1.10580,149
120.0601k6mA0.2454.930.0360.4022.7.1.105,3.1.3.4684
130.0601ygeA0.2456.000.0130.4881.13.11.12NA
140.0603b8eA0.4214.410.0430.6653.6.3.9NA
150.0601zzgA0.3284.180.0450.5005.3.1.9NA
160.0602v5yA0.3514.780.0590.6103.1.3.48110,125,157
170.0601mc0A0.2156.310.0900.4333.1.4.17NA
180.0603b8eC0.4204.330.0370.6583.6.3.990,124,143
190.0602pffD0.3724.840.0310.6222.3.1.86NA

(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
00.630.7151.081.000.742m5yA GO:0016020 GO:0016021
10.060.3445.190.090.624m4rA 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
20.060.2385.820.050.473l5hA GO:0002675 GO:0002821 GO:0004896 GO:0004897 GO:0004915 GO:0004921 GO:0004923 GO:0004924 GO:0005127 GO:0005138 GO:0005576 GO:0005615 GO:0005886 GO:0005896 GO:0005900 GO:0005977 GO:0007165 GO:0008284 GO:0008593 GO:0009897 GO:0010575 GO:0010613 GO:0016020 GO:0016021 GO:0016032 GO:0019221 GO:0019838 GO:0019970 GO:0019981 GO:0030425 GO:0034097 GO:0038154 GO:0038165 GO:0042102 GO:0042511 GO:0042517 GO:0042803 GO:0043025 GO:0043066 GO:0044297 GO:0045509 GO:0045669 GO:0048711 GO:0048861 GO:0070062 GO:0070102 GO:0070104 GO:0070106 GO:0070110 GO:0070120
30.060.2644.720.040.432x11A 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
40.060.2834.640.050.464zxbE GO:0000166 GO:0000187 GO:0001933 GO:0001934 GO:0003007 GO:0004672 GO:0004713 GO:0004714 GO:0004716 GO:0005009 GO:0005159 GO:0005524 GO:0005525 GO:0005634 GO:0005768 GO:0005829 GO:0005886 GO:0005887 GO:0005899 GO:0005901 GO:0005975 GO:0006355 GO:0006468 GO:0007169 GO:0007186 GO:0008284 GO:0008286 GO:0008544 GO:0008584 GO:0009725 GO:0009887 GO:0010008 GO:0010042 GO:0010310 GO:0010560 GO:0010629 GO:0014823 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0018108 GO:0019087 GO:0019901 GO:0019903 GO:0019904 GO:0023014 GO:0030238 GO:0030325 GO:0030335 GO:0031017 GO:0031405 GO:0031667 GO:0031994 GO:0031995 GO:0032147 GO:0032148 GO:0032355 GO:0032403 GO:0032410 GO:0032868 GO:0032869 GO:0033280 GO:0033574 GO:0034612 GO:0038083 GO:0042593 GO:0043231 GO:0043235 GO:0043410 GO:0043423 GO:0043548 GO:0043559 GO:0043560 GO:0045202 GO:0045429 GO:0045444 GO:0045471 GO:0045725 GO:0045740 GO:0045821 GO:0045840 GO:0045893 GO:0045995 GO:0046326 GO:0046777 GO:0048639 GO:0051290 GO:0051384 GO:0051425 GO:0051446 GO:0051897 GO:0060267 GO:0070062 GO:0071363 GO:2000194
50.060.2634.940.070.454l0pA 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
60.060.2755.000.040.462hleA 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
70.060.2186.160.030.452ibgA 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
80.060.2385.100.020.414urtB 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
90.060.2384.700.010.385fn8A GO:0001915 GO:0001960 GO:0004721 GO:0004725 GO:0005001 GO:0005622 GO:0005887 GO:0005925 GO:0006469 GO:0006470 GO:0009898 GO:0009986 GO:0010332 GO:0016020 GO:0016021 GO:0016311 GO:0016787 GO:0016791 GO:0019887 GO:0019901 GO:0030217 GO:0035335 GO:0042100 GO:0042102 GO:0045121 GO:0050852 GO:0050853 GO:0050857 GO:0051209 GO:0051607 GO:0051726
100.060.2414.650.050.394bq6A 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
110.060.2175.520.020.403f7qA 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
120.060.2354.490.090.373skjF 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
130.060.2025.040.020.351hwhB GO:0000187 GO:0000255 GO:0004896 GO:0005576 GO:0005615 GO:0005622 GO:0005886 GO:0005887 GO:0006101 GO:0006103 GO:0006105 GO:0006107 GO:0006549 GO:0006573 GO:0006600 GO:0006631 GO:0006897 GO:0007259 GO:0009986 GO:0016020 GO:0016021 GO:0017046 GO:0019221 GO:0019530 GO:0019838 GO:0019901 GO:0031623 GO:0032355 GO:0032870 GO:0040014 GO:0040018 GO:0042517 GO:0042523 GO:0042803 GO:0042977 GO:0043235 GO:0044236 GO:0046449 GO:0046898 GO:0048009 GO:0050731 GO:0060396 GO:0060397 GO:0070064 GO:0070195
140.060.1924.910.070.341wf5A GO:0005886 GO:0007155 GO:0007156 GO:0007416 GO:0010842 GO:0016020 GO:0016021 GO:0030054 GO:0045202 GO:0060219
150.060.2034.920.060.344nn5C GO:0002380 GO:0005576 GO:0005886 GO:0006954 GO:0009897 GO:0016020 GO:0016021 GO:0035745
160.060.2734.810.030.443p1iA 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
170.060.2293.790.030.323oufB GO:0016020 GO:0016021
180.060.1964.970.060.341uemA GO:0001656 GO:0001657 GO:0001822 GO:0006935 GO:0007156 GO:0007275 GO:0007399 GO:0007411 GO:0007417 GO:0007420 GO:0008046 GO:0009986 GO:0016020 GO:0016021 GO:0016199 GO:0021891 GO:0030154 GO:0030673 GO:0031290 GO:0032870 GO:0035385 GO:0042802 GO:0050772 GO:0050925 GO:0051964 GO:0061364 GO:0070062


Consensus prediction of GO terms
 
Molecular Function GO:0032559 GO:0032550 GO:0004713 GO:0019199 GO:0035639
GO-Score 0.36 0.36 0.36 0.36 0.36
Biological Processes GO:0018212 GO:0006796 GO:0007167
GO-Score 0.36 0.36 0.36
Cellular Component GO:0016021 GO:0031226
GO-Score 0.71 0.36

(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.