[Home] [Server] [About] [Statistics] [Annotation]

I-TASSER results for job id Rv3209

[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 3v4pA CA Rep, Mult 113,121,123,125,129
20.05 2 3ko2B CA Rep, Mult 15,16
30.05 2 2iwkA IOD Rep, Mult 116,161,162,177
40.05 2 2pltA CA Rep, Mult 135,138
50.02 1 1kyaA CU Rep, Mult 116,162,164
60.02 1 4di0A FE Rep, Mult 35,39
70.02 1 3pddA CA Rep, Mult 129,131,135
80.02 1 4eneA DMU Rep, Mult 6,10
90.02 1 2c11D FUL Rep, Mult 87,168
100.02 1 3i9dW MG Rep, Mult 43,46
110.02 1 2v8vD URP Rep, Mult 107,131
120.02 1 1hw9A ADP Rep, Mult 103,131
130.02 1 2z6iB CA Rep, Mult 9,12
140.02 1 3sfzA GBL Rep, Mult 130,131,160,162
150.02 1 1a34A U Rep, Mult 106,107
160.02 1 5ezmA MPG Rep, Mult 2,5

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
10.0601ri6A0.3654.140.0570.5113.1.1.31NA
20.0602madH0.3804.970.0530.6081.4.99.3113
30.0601n1hA0.2916.100.0400.5382.7.7.48NA
40.0601cb8A0.3285.880.0400.6244.2.2.5186
50.0603l4uA0.3725.330.0340.6563.2.1.20,3.2.1.3112
60.0601hn0A0.4905.330.0470.8504.2.2.20NA
70.0602z8yP0.3634.970.0390.5972.3.1.169NA
80.0601gthA0.3246.340.0510.6451.3.1.2154
90.0602ajtA0.3685.660.0310.6675.3.1.4NA
100.0602j62A0.2595.340.0330.4303.2.1.52NA
110.0603ecqB0.3655.510.0530.6343.2.1.97NA
120.0602vumA0.3925.820.0460.7202.7.7.6NA
130.0601j0mA0.3694.930.0530.6024.2.2.12NA
140.0602wanA0.3755.220.0680.6243.2.1.41154
150.0602zxqA0.3955.230.0630.6883.2.1.97113
160.0601i8qA0.3675.650.0280.6724.2.2.1134
170.0602q1fA0.4385.210.0640.7534.2.2.21NA
180.0601rw9A0.4125.260.0470.6994.2.2.5116
190.0602pmzQ0.2915.470.0230.5212.7.7.6NA

(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
00.170.8342.860.110.965dfzB GO:0000011 GO:0000166 GO:0004672 GO:0004674 GO:0005524 GO:0005643 GO:0005768 GO:0005770 GO:0005794 GO:0006468 GO:0006623 GO:0006810 GO:0006914 GO:0010008 GO:0015031 GO:0016020 GO:0016236 GO:0016301 GO:0016310 GO:0016740 GO:0030242 GO:0032968 GO:0034271 GO:0034272 GO:0043130 GO:0045053 GO:0045324 GO:0048017 GO:0071561
10.060.3934.550.050.572h9lA GO:0000123 GO:0001501 GO:0005622 GO:0005634 GO:0005654 GO:0005671 GO:0006351 GO:0006355 GO:0016568 GO:0018024 GO:0031175 GO:0035064 GO:0035097 GO:0035948 GO:0042800 GO:0043966 GO:0043981 GO:0043982 GO:0043984 GO:0043995 GO:0043996 GO:0044666 GO:0046972 GO:0048188 GO:0051568 GO:0071339
20.060.3714.400.040.544j0xB GO:0000154 GO:0005634 GO:0005654 GO:0005730 GO:0006364 GO:0030515 GO:0030529 GO:0031167 GO:0031428 GO:0032040 GO:0042254
30.060.3835.440.040.683sfzA GO:0000166 GO:0001666 GO:0001843 GO:0005524 GO:0005634 GO:0005737 GO:0005829 GO:0006915 GO:0006919 GO:0007275 GO:0007420 GO:0007568 GO:0007584 GO:0008635 GO:0008656 GO:0010659 GO:0030154 GO:0030900 GO:0031072 GO:0034349 GO:0042802 GO:0042981 GO:0043293 GO:0043531 GO:0051260 GO:0051402 GO:0070059 GO:0070062 GO:0071560 GO:0097190 GO:1902510 GO:2001235
40.060.3664.250.060.513ow8C GO:0005634 GO:0005654 GO:0005737 GO:0006351 GO:0006355 GO:0016055 GO:0016593 GO:0032968 GO:0035327 GO:0045638 GO:0045944 GO:0051571 GO:0055087 GO:0080182 GO:2001162
50.060.3404.010.070.474v6iAa GO:0001403 GO:0001965 GO:0004871 GO:0005092 GO:0005737 GO:0007186 GO:0010255 GO:0017148 GO:0022627 GO:0050790 GO:2001125
60.060.3494.330.050.491b9xA GO:0001750 GO:0003924 GO:0004871 GO:0005622 GO:0005765 GO:0005834 GO:0007165 GO:0007186 GO:0007191 GO:0007200 GO:0008283 GO:0016020 GO:0016056 GO:0022400 GO:0032403 GO:0043209 GO:0050909 GO:0051020 GO:0060041 GO:0070062 GO:0071380 GO:0071870 GO:0097381 GO:1903561
70.060.3614.380.040.515em2A GO:0000463 GO:0000466 GO:0005634 GO:0005654 GO:0005730 GO:0006364 GO:0030687 GO:0042254 GO:0042273 GO:0043021
80.060.3654.200.070.504u7aA GO:0000463 GO:0000466 GO:0005634 GO:0005654 GO:0005730 GO:0006364 GO:0030687 GO:0042254 GO:0042273 GO:0043021 GO:0070180 GO:0070545
90.060.3314.000.080.465a1uD GO:0000139 GO:0005198 GO:0005737 GO:0005794 GO:0005829 GO:0006810 GO:0006886 GO:0006888 GO:0006890 GO:0006891 GO:0015031 GO:0016020 GO:0016192 GO:0030117 GO:0030126 GO:0030663 GO:0031410 GO:1901998
100.060.3454.540.040.522ovqB GO:0000209 GO:0001944 GO:0004842 GO:0005634 GO:0005654 GO:0005730 GO:0005737 GO:0005829 GO:0006974 GO:0007062 GO:0010868 GO:0010883 GO:0016032 GO:0016567 GO:0019005 GO:0030332 GO:0030674 GO:0031146 GO:0031398 GO:0031625 GO:0032876 GO:0032880 GO:0034644 GO:0042802 GO:0043234 GO:0045741 GO:0045746 GO:0050816 GO:0050821 GO:0051443 GO:0055088 GO:0070374 GO:0097027 GO:1901800 GO:1902806 GO:1903146 GO:1903378 GO:1903955 GO:1990452 GO:2000060 GO:2000346 GO:2000639
110.060.2565.250.020.445ceiA GO:0000166 GO:0004672 GO:0004674 GO:0004693 GO:0005524 GO:0005634 GO:0005654 GO:0006351 GO:0006355 GO:0006367 GO:0006468 GO:0008353 GO:0016301 GO:0016310 GO:0016592 GO:0016740 GO:0045944 GO:0051726
120.060.3423.780.030.463jb9L GO:0005634 GO:0005681 GO:0005682 GO:0006397 GO:0008380 GO:0045292
130.060.2625.060.020.444azfA GO:0000151 GO:0000166 GO:0000287 GO:0004672 GO:0004674 GO:0004712 GO:0004713 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0006468 GO:0006915 GO:0006974 GO:0007224 GO:0016301 GO:0016310 GO:0016740 GO:0018108 GO:0030145 GO:0030529 GO:0042771 GO:0043130 GO:0045725 GO:0051534 GO:1901796
140.060.2295.370.060.383d9vA GO:0000139 GO:0000166 GO:0001726 GO:0003383 GO:0004672 GO:0004674 GO:0005524 GO:0005737 GO:0005794 GO:0005814 GO:0005829 GO:0005856 GO:0005886 GO:0006468 GO:0006915 GO:0006921 GO:0006939 GO:0007159 GO:0007165 GO:0007249 GO:0007266 GO:0016020 GO:0016301 GO:0016310 GO:0016525 GO:0016740 GO:0017048 GO:0017049 GO:0022614 GO:0030027 GO:0030036 GO:0030155 GO:0030866 GO:0032059 GO:0032060 GO:0032091 GO:0032956 GO:0032970 GO:0035509 GO:0035556 GO:0042995 GO:0043524 GO:0045616 GO:0046872 GO:0048010 GO:0048013 GO:0050900 GO:0050901 GO:0051451 GO:0051492 GO:0051493 GO:0051893 GO:0051894 GO:0090002 GO:1903140 GO:1903347 GO:2000114 GO:2000145
150.060.2995.560.040.522i6lA GO:0000165 GO:0000166 GO:0004672 GO:0004674 GO:0004707 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0006468 GO:0007049 GO:0007165 GO:0016301 GO:0016310 GO:0016740 GO:0019901 GO:0046982
160.060.2986.250.050.583pvuA GO:0000166 GO:0002029 GO:0002031 GO:0003108 GO:0004672 GO:0004674 GO:0004703 GO:0005524 GO:0005737 GO:0005829 GO:0005886 GO:0006468 GO:0006886 GO:0007165 GO:0007186 GO:0007213 GO:0009966 GO:0016020 GO:0016301 GO:0016310 GO:0016740 GO:0018105 GO:0031694 GO:0031755 GO:0045988 GO:0047696 GO:0060048
170.060.3015.520.040.541blxA GO:0000082 GO:0000166 GO:0000307 GO:0001726 GO:0001954 GO:0002244 GO:0003323 GO:0004672 GO:0004674 GO:0004693 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005813 GO:0005815 GO:0005829 GO:0005856 GO:0006468 GO:0007049 GO:0007050 GO:0007219 GO:0008285 GO:0009615 GO:0010468 GO:0010628 GO:0014002 GO:0016301 GO:0016310 GO:0016740 GO:0021542 GO:0021670 GO:0030097 GO:0030154 GO:0030332 GO:0033077 GO:0042063 GO:0042127 GO:0042995 GO:0043697 GO:0045596 GO:0045638 GO:0045646 GO:0045656 GO:0045668 GO:0045786 GO:0048146 GO:0048699 GO:0050680 GO:0051301 GO:0060218 GO:1904628 GO:2000145 GO:2000773
180.060.3035.350.030.513nr9B GO:0000166 GO:0004672 GO:0004674 GO:0004712 GO:0004713 GO:0005524 GO:0005634 GO:0005654 GO:0006468 GO:0010033 GO:0010212 GO:0016301 GO:0016310 GO:0016607 GO:0016740 GO:0018108 GO:0032526 GO:0043484 GO:0045721 GO:0046777


Consensus prediction of GO terms
 
Molecular Function GO:0032550 GO:0035639 GO:0032559 GO:0016773 GO:0032182 GO:0016301
GO-Score 0.45 0.45 0.45 0.35 0.35 0.35
Biological Processes GO:0034243 GO:0045944 GO:0032786 GO:0006796 GO:0007033 GO:0034067 GO:0035556 GO:0006914 GO:0016197 GO:0006464 GO:0072666 GO:0048308 GO:0007031 GO:0032507 GO:0006605
GO-Score 0.45 0.45 0.45 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35
Cellular Component GO:0031981 GO:0005774 GO:0044440 GO:0035032 GO:0005635 GO:0044232
GO-Score 0.36 0.35 0.35 0.35 0.35 0.35

(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.