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

I-TASSER results for job id Rv0285

[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
10.16 38 2e42B NUC Rep, Mult 50,51,54,55,57,58,59,61
20.06 16 3bknB HEM Rep, Mult 18,21,22,25,70,73,74,77
30.05 14 1veqB FE Rep, Mult 25,28,62,66
40.05 13 1gu4A NUC Rep, Mult 47,48,51,52,54,55,56
50.04 10 2e50P TRE Rep, Mult 72,75,76,79
60.04 10 1nwqA NUC Rep, Mult 53,57,58,60,61,62,64
70.04 10 2h7hB NUC Rep, Mult 54,55,58,59,61,62,65,66
80.03 9 2ceiA ZN Rep, Mult 17,72,75
90.02 6 2ix7C CYS Rep, Mult 67,70
100.02 6 3arcB CLA Rep, Mult 10,82,85,86
110.01 4 3e1nE UNK Rep, Mult 20,72
120.01 2 2g380 III Rep, Mult 9,16,20,23,27,31,35,37,38,39,40,41,42,43,44,45,46,47,50,53,54,57,58,61,64,67,68,71,72,75,79
130.01 3 1mneA POP Rep, Mult 14,15,16,19,20,21,74,75
140.01 2 3l36A DTR Rep, Mult 77,78
150.00 1 1z6kA MG Rep, Mult 8,44
160.00 1 3v5uA MYS Rep, Mult 2,6,79

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
10.2593e7kH0.4641.970.0710.5492.7.11.1NA
20.2462h8nA0.5361.520.0810.5883.5.1.9857,71
30.1971wt6B0.5061.520.0850.5782.7.11.126
40.1871z56A0.4991.900.0420.5986.5.1.155
50.1831vp7B0.4842.560.0800.6183.1.11.619,27,71
60.1341urfA0.5282.630.0400.7062.7.11.1315
70.1221cxzB0.5502.420.0410.6962.7.11.1320
80.1201wu0A0.4942.460.0870.6673.6.3.14NA
90.0912w5jA0.4893.220.0780.7063.6.3.14NA
100.0602hvgA0.5533.080.0640.7744.3.2.2NA
110.0602pfdB0.6162.960.1190.8532.1.2.5,4.3.1.4NA
120.0601f1oA0.5343.270.0430.7944.3.2.2NA
130.0602iw5A0.6752.700.0920.8731.-.-.-NA
140.0602pfmA0.6422.890.0620.8434.3.2.2NA
150.0602zr3B0.6023.690.1120.8826.1.1.11NA
160.0603g61A0.7162.730.1010.9413.6.3.44NA
170.0601clqA0.6253.030.0430.8532.7.7.724
180.0602ahmE0.2962.870.0260.3922.7.7.48NA
190.0602occN0.5883.020.0600.7941.9.3.180
200.0601qd1B0.3034.220.0680.5202.1.2.5,4.3.1.4NA
210.0601j3uA0.6462.790.0880.8334.3.1.1NA
220.0601jswB0.6463.100.0870.8534.3.1.1NA
230.0601k62B0.6223.060.0610.8734.3.2.1NA
240.0601yfeA0.6422.900.1090.8434.2.1.2NA
250.0601w07B0.6333.390.0900.8821.3.3.6NA
260.0601eulA0.5283.550.0100.7743.6.3.8NA
270.0601vdkA0.6373.050.0870.8534.2.1.2NA
280.0601u7lA0.5873.590.0910.9223.6.3.143

(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
00.380.7940.840.270.834kxrA GO:0005576 GO:0009405
10.320.7722.270.110.963zx6A GO:0004871 GO:0004888 GO:0005886 GO:0005887 GO:0006935 GO:0007165 GO:0016020 GO:0016021 GO:0043200 GO:0043424 GO:0046872 GO:0048870
20.290.4811.340.070.531ysaC GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
30.280.7902.280.110.963g67A GO:0004871 GO:0007165 GO:0016020
40.250.7292.050.100.892vrzA GO:0005576 GO:0009405
50.240.4861.310.060.541kqlA GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
60.170.4801.910.050.572n9bA GO:0000122 GO:0000166 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0001726 GO:0003677 GO:0003682 GO:0003700 GO:0003774 GO:0003779 GO:0005516 GO:0005524 GO:0005547 GO:0005634 GO:0005667 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005938 GO:0006351 GO:0006355 GO:0006366 GO:0006810 GO:0007165 GO:0008360 GO:0008652 GO:0010691 GO:0016020 GO:0016459 GO:0030027 GO:0030705 GO:0030898 GO:0031527 GO:0032433 GO:0042802 GO:0042995 GO:0043565 GO:0045899 GO:0051015 GO:0051489 GO:0060002 GO:0060261 GO:1903833
70.160.4520.780.060.471n2dC GO:0000001 GO:0000011 GO:0000131 GO:0000132 GO:0000146 GO:0000166 GO:0000329 GO:0003774 GO:0003779 GO:0005516 GO:0005524 GO:0005934 GO:0005935 GO:0006810 GO:0007049 GO:0007107 GO:0007118 GO:0009826 GO:0015031 GO:0016192 GO:0016459 GO:0030050 GO:0030133 GO:0031941 GO:0031982 GO:0032432 GO:0043332 GO:0045033 GO:0048313 GO:0051015 GO:0051301 GO:0071563
80.160.7962.070.080.962ch7A GO:0004871 GO:0005886 GO:0006935 GO:0007165 GO:0016020 GO:0016021
90.160.7872.240.081.004ckgA GO:0005096 GO:0005768 GO:0006810 GO:0015031 GO:0016020 GO:0043547 GO:0046872 GO:0055038
100.150.6712.990.080.921y2oA GO:0001726 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005913 GO:0007009 GO:0007409 GO:0008022 GO:0008093 GO:0008286 GO:0008360 GO:0009617 GO:0014069 GO:0015629 GO:0016020 GO:0016358 GO:0030141 GO:0030165 GO:0030175 GO:0030838 GO:0032956 GO:0038096 GO:0042802 GO:0042995 GO:0043005 GO:0043025 GO:0043197 GO:0048010 GO:0048167 GO:0051017 GO:0051764 GO:0061003 GO:0070062 GO:0070064 GO:0097481 GO:0098609 GO:0098641 GO:2000251
110.140.5732.620.060.782oszA GO:0005487 GO:0005634 GO:0005635 GO:0005643 GO:0006810 GO:0006913 GO:0008139 GO:0015031 GO:0016020 GO:0031965 GO:0042306 GO:0043234 GO:0051028 GO:0051260 GO:0051290 GO:0051291 GO:0070208
120.140.5281.850.050.603tnuB GO:0005198 GO:0005200 GO:0005634 GO:0005737 GO:0005739 GO:0005829 GO:0005882 GO:0005886 GO:0008544 GO:0016020 GO:0031581 GO:0045095 GO:0070062 GO:0097110
130.110.8072.280.070.991ciiA GO:0005886 GO:0016020 GO:0016021 GO:0019835 GO:0042742 GO:0050829
140.100.4572.510.090.584bl6C GO:0003729 GO:0005737 GO:0005794 GO:0005829 GO:0005856 GO:0006810 GO:0007275 GO:0007293 GO:0007294 GO:0007309 GO:0007310 GO:0007312 GO:0007314 GO:0008103 GO:0008298 GO:0016325 GO:0017137 GO:0019233 GO:0030100 GO:0030154 GO:0030669 GO:0030727 GO:0032050 GO:0045502 GO:0048477 GO:0048488 GO:0050658 GO:0051028 GO:0070727 GO:2000302 GO:2000370
150.090.6163.410.030.954h8sC GO:0005634 GO:0005737 GO:0005768 GO:0007049 GO:0007165 GO:0008283 GO:0010008 GO:0016020 GO:0016581 GO:0031901 GO:0070062
160.080.6303.560.090.982q13A GO:0005634 GO:0005737 GO:0005768 GO:0005829 GO:0007049 GO:0007165 GO:0008283 GO:0008286 GO:0010008 GO:0012506 GO:0016020 GO:0016581 GO:0031901 GO:0042802 GO:0043422 GO:0046324 GO:0070062 GO:0090003 GO:0097192
170.070.5653.360.040.854uxvA GO:0000921 GO:0005886 GO:0005940 GO:0007049 GO:0016020 GO:0016021 GO:0051301 GO:0051781
180.070.5461.630.070.603o0zD 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
190.070.5252.150.100.662c2jA GO:0005737 GO:0006879 GO:0006950 GO:0008199 GO:0016491 GO:0046872 GO:0055114
200.070.5363.520.080.812jesA GO:0019012 GO:0019028 GO:0019076 GO:0046718 GO:0046729
210.070.4502.490.100.593layJ GO:0008270 GO:0042597
220.070.5353.120.030.701rh1A GO:0005886 GO:0009405 GO:0016020 GO:0016021 GO:0019835 GO:0042742 GO:0050829
230.060.5313.910.100.885a20A GO:0019012 GO:0019028 GO:0019076 GO:0046718 GO:0046729


Consensus prediction of GO terms
 
Molecular Function GO:0098811 GO:0003700 GO:0000987 GO:0001134 GO:0000977 GO:0001083 GO:0044877 GO:0004888 GO:0043424 GO:0046872
GO-Score 0.58 0.58 0.58 0.58 0.58 0.58 0.58 0.32 0.32 0.32
Biological Processes GO:0001079 GO:1901566 GO:0045898 GO:0045944 GO:0010688 GO:0010647 GO:2000144 GO:0090294 GO:0032109 GO:0046394 GO:1903832 GO:0006520 GO:0009405 GO:0007165 GO:0043200 GO:0048870 GO:0006935
GO-Score 0.58 0.58 0.58 0.58 0.58 0.58 0.58 0.58 0.58 0.58 0.58 0.58 0.53 0.51 0.32 0.32 0.32
Cellular Component GO:0044454 GO:0000785 GO:0043234 GO:0005576 GO:0005887
GO-Score 0.58 0.58 0.58 0.53 0.32

(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.