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I-TASSER results for job id Rv2615c

[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 2 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
10.17 9 5sxmA III Rep, Mult 103,104,105,144,147,148,164,186,188,189,200,217,218,236,300,351
20.13 7 3pslA III Rep, Mult 103,104,105,144,147,148,164,186,188,300,351,353
30.06 3 1aklA CA Rep, Mult 365,366,367,369,376,377,378,381
40.02 1 3kitP MG Rep, Mult 446,453
50.02 1 4ewlB GOL Rep, Mult 198,199,202
60.02 1 3odtA CA Rep, Mult 103,351,357
70.02 1 2o01H CLA Rep, Mult 370,374
80.02 1 3as3A I5I Rep, Mult 337,345,346,347
90.02 1 3a5vA MAN Rep, Mult 296,298
100.02 1 1srpA CA Rep, Mult 356,358,360,367,368,369,372
110.02 1 2wse1 CLA Rep, Mult 391,394

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
10.0601k32A0.4275.160.0400.5663.4.21.-NA
20.0601kitA0.4465.730.0400.6183.2.1.18NA
30.0601madH0.4624.230.0800.5711.4.99.3223,227,234
40.0601yiqA0.4874.580.0500.6161.1.99.-NA
50.0601lrwA0.4575.250.0690.6071.1.99.8NA
60.0601g72A0.4545.190.0690.6051.1.99.8121
70.0602vk6A0.4244.850.0790.5513.2.1.18268
80.0601aomB0.3895.920.0590.5621.7.99.1,1.7.2.1NA
90.0601sliA0.4214.790.0560.5474.2.2.15,3.2.1.18NA
100.0601r9mB0.4196.400.0460.6163.4.14.5NA
110.0601simA0.4304.340.0510.5383.2.1.18NA
120.0601k3iA0.5035.180.0470.6661.1.3.9NA
130.0601y9mA0.4205.520.0630.5753.2.1.80NA
140.0601vcuB0.4254.290.0740.5273.2.1.18NA
150.0602bixA0.4424.900.0460.5771.14.99.-351
160.0601kb0A0.4804.510.0600.5991.1.99.-NA
170.0602gbcA0.4255.740.0690.5973.4.14.5,3.4.15.5353
180.0601gjqA0.4654.360.0620.5731.7.99.1,1.7.2.1NA
190.0602h47H0.4684.060.0660.5661.4.99.4NA

(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
00.130.5824.680.080.712ymuA GO:0016020 GO:0016021
10.070.5724.650.040.724xfvA GO:0002098 GO:0005634 GO:0005654 GO:0005737 GO:0006351 GO:0006355 GO:0006357 GO:0006810 GO:0008017 GO:0015031 GO:0032447 GO:0033588
20.070.4723.550.040.543odtA GO:0005634 GO:0005737 GO:0006303 GO:0006511 GO:0010992 GO:0043130
30.070.5745.640.040.803j2tA GO:0000166 GO:0001666 GO:0001843 GO:0005524 GO:0005634 GO:0005737 GO:0005829 GO:0006915 GO:0006919 GO:0007275 GO:0007399 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:0043065 GO:0043293 GO:0043531 GO:0051260 GO:0051402 GO:0070059 GO:0070062 GO:0071560 GO:0072432 GO:0097190 GO:0097193 GO:1902510 GO:2001235
40.070.5654.940.060.724ci8A GO:0000226 GO:0002244 GO:0005509 GO:0005737 GO:0005829 GO:0005856 GO:0005874 GO:0005875 GO:0007052 GO:0007405 GO:0007420 GO:0008017 GO:0015631 GO:0048471 GO:0097431 GO:1990023
50.070.5764.700.060.724nsxA GO:0005634 GO:0005654 GO:0005730 GO:0006364 GO:0030529 GO:0031167 GO:0032040 GO:0034388 GO:0042254 GO:0042274
60.070.5634.720.070.701nr0A GO:0003779 GO:0005737 GO:0005856 GO:0016528 GO:0030016 GO:0030240 GO:0030836 GO:0030837 GO:0040011 GO:0040012 GO:0042643 GO:0051015 GO:0071689
70.070.4763.060.060.534lg8A GO:0000209 GO:0000244 GO:0000245 GO:0000398 GO:0000974 GO:0001833 GO:0004842 GO:0005634 GO:0005654 GO:0005662 GO:0005681 GO:0005737 GO:0005811 GO:0005819 GO:0005856 GO:0006281 GO:0006283 GO:0006303 GO:0006397 GO:0006974 GO:0008380 GO:0008610 GO:0010498 GO:0016020 GO:0016567 GO:0016607 GO:0016874 GO:0034450 GO:0034613 GO:0035861 GO:0042802 GO:0045665 GO:0048026 GO:0048711 GO:0061630 GO:0070534 GO:0071013 GO:0072422
80.070.4833.000.080.544v6wAg GO:0000398 GO:0005080 GO:0005737 GO:0005776 GO:0005829 GO:0005875 GO:0007626 GO:0009267 GO:0016243 GO:0018991 GO:0035220 GO:0042335 GO:0044829 GO:0045725 GO:0046716 GO:0048477 GO:0071011 GO:0071013 GO:0075522
90.070.5525.550.040.743sfzA 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
100.070.5684.550.070.701pguB GO:0003779 GO:0005737 GO:0005856 GO:0005884 GO:0006970 GO:0030042 GO:0030479 GO:0032466 GO:0051016
110.070.4742.960.070.533jb9K GO:0000974 GO:0005634 GO:0005662 GO:0005681 GO:0006397 GO:0008380 GO:0045292 GO:0071011 GO:0071013 GO:0080008
120.070.4723.030.050.534yvdA GO:0000398 GO:0000974 GO:0005634 GO:0005654 GO:0005662 GO:0005681 GO:0005730 GO:0006397 GO:0008380 GO:0016607 GO:0031965 GO:0034504 GO:0071011 GO:0071013 GO:0080008 GO:1900087
130.070.4873.190.080.554jxmA GO:0003723 GO:0005634 GO:0005654 GO:0005730 GO:0006364 GO:0030529 GO:0031428 GO:0032040 GO:0034511 GO:0044822
140.070.4872.950.050.541vyhC GO:0000132 GO:0000226 GO:0000235 GO:0000776 GO:0001667 GO:0001675 GO:0001764 GO:0001961 GO:0005634 GO:0005635 GO:0005737 GO:0005813 GO:0005815 GO:0005819 GO:0005829 GO:0005856 GO:0005871 GO:0005874 GO:0005875 GO:0005938 GO:0006629 GO:0006810 GO:0007017 GO:0007049 GO:0007067 GO:0007097 GO:0007268 GO:0007275 GO:0007399 GO:0007405 GO:0007420 GO:0007611 GO:0008017 GO:0008090 GO:0008344 GO:0009306 GO:0010977 GO:0015630 GO:0016020 GO:0016042 GO:0016477 GO:0017145 GO:0019226 GO:0021540 GO:0021766 GO:0021819 GO:0021895 GO:0021987 GO:0030036 GO:0030154 GO:0030424 GO:0030426 GO:0031023 GO:0031252 GO:0031512 GO:0031965 GO:0031982 GO:0032403 GO:0032420 GO:0036035 GO:0040019 GO:0042249 GO:0042803 GO:0043005 GO:0043025 GO:0043087 GO:0043622 GO:0045502 GO:0045505 GO:0045773 GO:0045931 GO:0046329 GO:0047496 GO:0048471 GO:0048854 GO:0050885 GO:0051081 GO:0051130 GO:0051219 GO:0051301 GO:0051660 GO:0051661 GO:0060117 GO:0061003 GO:0070062 GO:0070507 GO:0090102 GO:0090176 GO:1904115 GO:2000574
150.070.4803.010.050.543fm0A GO:0006357 GO:0007059 GO:0008284 GO:0016226 GO:0071817 GO:0097361
160.070.4583.080.060.512hesX GO:0002098 GO:0005634 GO:0005737 GO:0005829 GO:0016226 GO:0044281 GO:0097361
170.070.4773.250.050.545hqgA GO:0000139 GO:0004842 GO:0005634 GO:0005654 GO:0005737 GO:0005813 GO:0005829 GO:0005925 GO:0008270 GO:0010212 GO:0016567 GO:0016607 GO:0016874 GO:0032436 GO:0046872 GO:0061630
180.070.5274.280.050.625cvlA GO:0000724 GO:0005634 GO:0005737 GO:0005764 GO:0005768 GO:0005770 GO:0006974 GO:0007283 GO:0007338 GO:0008584 GO:0016032 GO:0016579 GO:0035264 GO:0043588 GO:0048568 GO:0048705 GO:0048872 GO:0050679 GO:0072520 GO:1902525
190.070.4443.940.040.524e54B GO:0000209 GO:0000715 GO:0000717 GO:0003677 GO:0003684 GO:0004842 GO:0005634 GO:0005654 GO:0006281 GO:0006289 GO:0006290 GO:0006293 GO:0006294 GO:0006295 GO:0006296 GO:0006974 GO:0009411 GO:0016567 GO:0030054 GO:0031465 GO:0033683 GO:0035518 GO:0043234 GO:0051865 GO:0070911 GO:0070914 GO:0080008
200.070.4853.280.050.555emkB GO:0000387 GO:0005634 GO:0005654 GO:0005737 GO:0005794 GO:0005829 GO:0006357 GO:0008284 GO:0008285 GO:0008327 GO:0016274 GO:0030374 GO:0034709 GO:0035246 GO:0060528 GO:0060770
210.070.4403.850.060.524a11B GO:0000109 GO:0000209 GO:0003678 GO:0004842 GO:0005634 GO:0005654 GO:0006281 GO:0006283 GO:0006289 GO:0006974 GO:0006979 GO:0008094 GO:0009411 GO:0010165 GO:0016363 GO:0016567 GO:0031464 GO:0032403 GO:0043161 GO:0043234 GO:0045739 GO:0051865
220.070.4363.670.050.511erjC GO:0000122 GO:0000123 GO:0000433 GO:0001191 GO:0001198 GO:0005634 GO:0006351 GO:0006355 GO:0007070 GO:0008023 GO:0016584 GO:0017053 GO:0033588 GO:0035955 GO:0036033 GO:0042393 GO:0042826 GO:0043486 GO:0080025 GO:2000217 GO:2000531 GO:2001020
230.070.4783.360.050.543ow8C 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
240.070.4863.160.060.543jcmB GO:0000398 GO:0005634 GO:0005681 GO:0006397 GO:0008380 GO:0017070 GO:0030621 GO:0034247 GO:0046540
250.070.4733.380.090.544aezA GO:0000070 GO:0005634 GO:0007049 GO:0007067 GO:0010997 GO:0032153 GO:0033597 GO:0034613 GO:0044732 GO:0051301 GO:0072686 GO:0097027 GO:1904668
260.070.4302.920.040.481b9xA 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
270.070.4473.410.060.514v3pSa GO:0007165
280.070.4773.130.100.543jcrL GO:0000375 GO:0000398 GO:0005634 GO:0005654 GO:0005681 GO:0006396 GO:0006397 GO:0008380 GO:0015030 GO:0016607 GO:0017070 GO:0030621 GO:0046540 GO:0071001 GO:0097525


Consensus prediction of GO terms
 
Molecular Function GO:0008017 GO:0043130 GO:0043531 GO:0005509 GO:0031072 GO:0005524 GO:0008656 GO:0042802
GO-Score 0.13 0.07 0.07 0.07 0.07 0.07 0.07 0.07
Biological Processes GO:0006357 GO:0015031 GO:0032447 GO:0006303 GO:0006511 GO:0010992 GO:0002098 GO:0008635 GO:0001666 GO:0002244 GO:0034349 GO:0070059 GO:0030900 GO:0072432 GO:0001843 GO:0007405 GO:0051260 GO:0007052 GO:1902510 GO:0010659 GO:0071560 GO:2001235 GO:0007584 GO:0007568 GO:0051402 GO:0000226
GO-Score 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07
Cellular Component GO:0043231
GO-Score 0.37

(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.