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I-TASSER results for job id Rv0175

[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
10.11 5 3k71G CA Rep, Mult 161,162,163,165,167,168,169
20.10 5 3fkaC UNL Rep, Mult 101,105,174,190,192,208
30.08 4 2fieA A74 Rep, Mult 124,125,126
40.04 2 1nh2C NUC Rep, Mult 202,204
50.04 2 4fcmB III Rep, Mult 86,93,96,97,100,115,116,117,199,202,203,204
60.02 1 3fkaA UNL Rep, Mult 105,131,135,138,139,210
70.02 1 2fxfA CA Rep, Mult 130,133
80.02 1 4il6R HEM Rep, Mult 98,102
90.02 1 3aagA CA Rep, Mult 40,125
100.02 1 3erzD HG Rep, Mult 105,109,113
110.02 1 3c9iB XE Rep, Mult 203,211
120.02 1 3c9iE XE Rep, Mult 178,192

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
10.1411hkxA0.4713.160.0610.5922.7.11.17104,167
20.1052ux0A0.4663.270.0700.5822.7.11.17104
30.0601n1zA0.4335.520.0430.7185.5.1.8NA
40.0601a4gA0.4285.140.0550.6853.2.1.185
50.0601eutA0.4085.410.0810.6713.2.1.18NA
60.0602ebsB0.4674.820.0510.7233.2.1.150104
70.0601w6sC0.4764.620.0520.6901.1.99.8NA
80.0601yiqA0.4574.690.0780.6711.1.99.-NA
90.0601oygA0.4315.960.0800.7562.4.1.10NA
100.0601euuA0.4205.090.0470.6673.2.1.18194
110.0602bixA0.4254.950.0550.6621.14.99.-NA
120.0601kb0A0.4624.500.0810.6621.1.99.-NA
130.0601ssqD0.4055.330.0470.6572.3.1.30NA
140.0601kv9A0.4534.500.0610.6531.1.99.-NA
150.0602v7oA0.2955.910.0270.4882.7.11.17119,122
160.0601eurA0.4045.390.0840.6713.2.1.18NA
170.0601lrwC0.4754.560.0580.6901.1.99.8NA
180.0603b8cB0.4825.440.0310.8073.6.3.655
190.0603e99A0.4313.510.0900.5541.14.12.10112
200.0601g72A0.4724.660.0640.6951.1.99.8NA
210.0602j5cB0.4295.680.0380.7234.2.3.-NA

(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
00.090.4473.270.120.555ig0A GO:0000166 GO:0004672 GO:0004674 GO:0004683 GO:0005516 GO:0005524 GO:0006468 GO:0016301 GO:0016310 GO:0016740
10.080.4753.410.070.615ig5F GO:0000166 GO:0004672 GO:0004674 GO:0004683 GO:0005516 GO:0005524 GO:0006468 GO:0016301 GO:0016310 GO:0016740
20.070.5204.620.060.724xzzA GO:0016740
30.070.5124.000.060.693soaA GO:0000082 GO:0000165 GO:0000166 GO:0002931 GO:0004672 GO:0004674 GO:0004683 GO:0005088 GO:0005516 GO:0005524 GO:0005634 GO:0005654 GO:0005739 GO:0005829 GO:0005886 GO:0006468 GO:0006816 GO:0007223 GO:0010666 GO:0016020 GO:0016301 GO:0016310 GO:0016740 GO:0018105 GO:0030054 GO:0030666 GO:0035254 GO:0038166 GO:0042734 GO:0042803 GO:0043547 GO:0045202 GO:0046777 GO:0046928 GO:0048168 GO:0051092 GO:0051928 GO:0060333 GO:0097481 GO:1900034 GO:1902108
40.070.4663.000.090.573h51A GO:0004683 GO:0005516 GO:0006468
50.070.4663.270.070.582ux0A GO:0000082 GO:0000165 GO:0000166 GO:0004672 GO:0004674 GO:0004683 GO:0004723 GO:0005088 GO:0005516 GO:0005524 GO:0005654 GO:0005829 GO:0005886 GO:0006468 GO:0006470 GO:0006816 GO:0007275 GO:0007399 GO:0014733 GO:0016020 GO:0016301 GO:0016310 GO:0016529 GO:0016740 GO:0030073 GO:0030154 GO:0030666 GO:0033017 GO:0042803 GO:0043547 GO:0046777 GO:0051259 GO:0051924 GO:0060333 GO:0097481 GO:1900034 GO:1901897
60.070.4532.960.080.555ig4E GO:0000166 GO:0004672 GO:0004674 GO:0004683 GO:0005516 GO:0005524 GO:0006468 GO:0016301 GO:0016310 GO:0016740
70.060.4533.220.080.562w2cH GO:0000082 GO:0000165 GO:0000166 GO:0001558 GO:0001666 GO:0002026 GO:0002028 GO:0003254 GO:0004672 GO:0004674 GO:0004683 GO:0005088 GO:0005516 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0005886 GO:0006357 GO:0006468 GO:0006816 GO:0008016 GO:0010389 GO:0010613 GO:0010649 GO:0010666 GO:0010880 GO:0010881 GO:0014704 GO:0014911 GO:0016020 GO:0016301 GO:0016310 GO:0016529 GO:0016740 GO:0018105 GO:0018107 GO:0019871 GO:0030007 GO:0030315 GO:0030666 GO:0031432 GO:0031594 GO:0032469 GO:0033017 GO:0034704 GO:0035022 GO:0042383 GO:0042803 GO:0043025 GO:0043194 GO:0043234 GO:0043547 GO:0044325 GO:0046777 GO:0048471 GO:0048661 GO:0050998 GO:0051259 GO:0055119 GO:0060048 GO:0060314 GO:0060333 GO:0060341 GO:0061049 GO:0070374 GO:0071277 GO:0086003 GO:0086091 GO:0098901 GO:0098909 GO:1900034 GO:1901725 GO:1901844 GO:1901897 GO:1902306 GO:1902514 GO:2000650
80.060.4533.110.080.552f86B GO:0000165 GO:0000166 GO:0004672 GO:0004674 GO:0004683 GO:0005516 GO:0005524 GO:0005737 GO:0006468 GO:0010628 GO:0016301 GO:0016310 GO:0016740 GO:0018105 GO:0018107 GO:0030424 GO:0042995 GO:0043005 GO:0043204 GO:0044325 GO:0046872 GO:0072375 GO:1904115
90.060.4383.050.080.533b7cA GO:0004067 GO:0016787
100.060.3456.120.060.624y5sA GO:0016491 GO:0051213 GO:0055114 GO:1902181
110.060.3535.730.050.611kobA GO:0000166 GO:0004672 GO:0004674 GO:0005524 GO:0006468 GO:0016301 GO:0016310 GO:0016740
120.060.3406.090.070.613slsB GO:0000165 GO:0000166 GO:0000187 GO:0001932 GO:0004672 GO:0004674 GO:0004702 GO:0004708 GO:0004712 GO:0004713 GO:0004728 GO:0005524 GO:0005634 GO:0005737 GO:0005739 GO:0005769 GO:0005770 GO:0005783 GO:0005794 GO:0005815 GO:0005829 GO:0005856 GO:0005886 GO:0005925 GO:0006468 GO:0006928 GO:0006935 GO:0007050 GO:0007165 GO:0007507 GO:0008022 GO:0008285 GO:0010628 GO:0010629 GO:0016020 GO:0016301 GO:0016310 GO:0016740 GO:0018108 GO:0019901 GO:0021697 GO:0030182 GO:0030216 GO:0030878 GO:0032872 GO:0035897 GO:0043539 GO:0045597 GO:0045893 GO:0047485 GO:0048538 GO:0048679 GO:0048870 GO:0050772 GO:0060020 GO:0060324 GO:0060425 GO:0060440 GO:0060502 GO:0060674 GO:0060711 GO:0070062 GO:0070371 GO:0070374 GO:0071902 GO:0090170 GO:0090398 GO:0098779 GO:1903800 GO:2000641
130.060.3096.210.040.564l00B GO:0000165 GO:0000166 GO:0004672 GO:0004713 GO:0004715 GO:0005088 GO:0005102 GO:0005131 GO:0005524 GO:0005634 GO:0005737 GO:0005829 GO:0005856 GO:0005925 GO:0006468 GO:0007169 GO:0012505 GO:0016020 GO:0016301 GO:0016310 GO:0016477 GO:0016740 GO:0019903 GO:0030154 GO:0031234 GO:0031625 GO:0031730 GO:0035556 GO:0038083 GO:0038110 GO:0042127 GO:0043547 GO:0045087 GO:0046677 GO:0046777 GO:0046872 GO:0060333 GO:0060334 GO:0060337 GO:0060338 GO:1903672
140.060.2646.450.030.515dmzA GO:0000166 GO:0000775 GO:0000776 GO:0000777 GO:0000942 GO:0004672 GO:0004674 GO:0005524 GO:0005634 GO:0005654 GO:0005694 GO:0005737 GO:0005829 GO:0006468 GO:0006915 GO:0007049 GO:0007059 GO:0007062 GO:0007063 GO:0007067 GO:0007093 GO:0007094 GO:0008283 GO:0016020 GO:0016032 GO:0016301 GO:0016310 GO:0016740 GO:0051301 GO:0051983 GO:0071173
150.060.2946.350.030.553utoB GO:0000166 GO:0004672 GO:0004674 GO:0005516 GO:0005524 GO:0006468 GO:0016301 GO:0016310 GO:0016740 GO:0018105 GO:0018107 GO:0031672 GO:0046872 GO:0051782
160.060.3326.140.060.593my0K GO:0000166 GO:0001525 GO:0001701 GO:0001936 GO:0001937 GO:0001938 GO:0001946 GO:0001955 GO:0001974 GO:0002043 GO:0004672 GO:0004674 GO:0004675 GO:0004702 GO:0005024 GO:0005025 GO:0005524 GO:0005886 GO:0005887 GO:0006275 GO:0006355 GO:0006468 GO:0007162 GO:0007165 GO:0007178 GO:0007179 GO:0008015 GO:0008217 GO:0008285 GO:0009986 GO:0010596 GO:0010862 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016361 GO:0016740 GO:0019901 GO:0023014 GO:0030308 GO:0030336 GO:0030425 GO:0030509 GO:0030513 GO:0032332 GO:0032924 GO:0035313 GO:0043025 GO:0043535 GO:0043537 GO:0045602 GO:0045603 GO:0045766 GO:0045893 GO:0045944 GO:0046332 GO:0046872 GO:0048185 GO:0048514 GO:0050431 GO:0051291 GO:0051895 GO:0060836 GO:0060840 GO:0060841 GO:0061154 GO:0061298 GO:0071560 GO:0071773 GO:0098821 GO:2000279
170.060.3514.970.040.544jrnA GO:0000166 GO:0004672 GO:0004674 GO:0005524 GO:0006468 GO:0016301 GO:0016310
180.060.3364.910.060.505dvtA GO:0000166 GO:0004672 GO:0004674 GO:0005509 GO:0005524 GO:0006468 GO:0016301 GO:0016310 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0005515 GO:0004674 GO:0032550 GO:0035639 GO:0032559
GO-Score 0.53 0.53 0.43 0.43 0.43
Biological Processes GO:0006464 GO:0016310
GO-Score 0.53 0.53
Cellular Component GO:0014069 GO:0005739 GO:0030054 GO:0042734 GO:0005654 GO:0005829 GO:0030666
GO-Score 0.07 0.07 0.07 0.07 0.07 0.07 0.07

(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.