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I-TASSER results for job id Rv1243c

[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 1 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
10.10 5 5ealA 5ML Rep, Mult 167,168,183,206,207,208,209,240,256,279,281,297
20.06 3 1g9kA CA Rep, Mult 284,285,286,288,296,297,298,301
30.04 2 3a6zA CA Rep, Mult 401,402,404,405,407,417,418,419,423
40.04 2 3sbrC CUK Rep, Mult 124,125,167,240,283,323,324,368
50.04 2 1jiwP CA Rep, Mult 296,297,298,299,301,322
60.04 2 3pslA III Rep, Mult 122,123,124,164,166,167,183,206,208,324,367,383,385
70.04 2 3odtA CA Rep, Mult 122,383,389
80.02 1 1n1pA MN Rep, Mult 246,337
90.02 1 3sfzA GBL Rep, Mult 496,497,522
100.02 1 1go7P CA Rep, Mult 333,334,335,337,347,348,349,352
110.02 1 1sqj0 III Rep, Mult 463,484,489,490,493,523,524
120.02 1 2xzmR NUC Rep, Mult 158,159,162,163,189,199,472,473,475
130.02 1 3i7hA III Rep, Mult 140,168,366,369,381
140.02 1 1g9kA CA Rep, Mult 297,298,299,301,311,312,313,316
150.02 1 4kzxg NUC Rep, Mult 120,160,162,163,189,199

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
10.0601lrwC0.4134.060.0630.4891.1.99.8NA
20.0601yrzA0.3986.360.0500.5683.2.1.37NA
30.0601aomB0.4244.640.0440.5251.7.99.1,1.7.2.1NA
40.0602h47H0.4243.530.0420.4821.4.99.4NA
50.0601r9mB0.3956.160.0290.5463.4.14.5NA
60.0602ebsB0.5534.900.0800.6923.2.1.150419,485
70.0602madH0.4123.780.0700.4821.4.99.3464
80.0601kb0A0.4254.710.0680.5211.1.99.-NA
90.0602vdcA0.4107.630.0580.6711.4.1.13NA
100.0603g0bB0.3956.310.0340.5553.4.14.5NA
110.0601y4wA0.3865.660.0750.5163.2.1.80NA
120.0603fsnB0.3964.850.0570.4985.2.1.7487
130.0601kv9A0.4345.110.0570.5481.1.99.-NA
140.0601jofA0.4032.650.0570.4385.5.1.5NA
150.0602w68C0.1665.140.0660.2153.2.1.18NA
160.0601w6sC0.4064.240.0690.4871.1.99.8258
170.0601fwxA0.4624.640.0470.5501.7.99.6NA
180.0602ecfA0.4266.870.0500.6263.4.14.5NA
190.0602gbcA0.3946.380.0320.5573.4.14.5,3.4.15.5NA

(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
00.120.6335.000.040.813j2tA 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
10.090.5634.650.060.672ymuA GO:0016020 GO:0016021
20.070.5804.970.060.714nsxA GO:0005634 GO:0005654 GO:0005730 GO:0006364 GO:0030529 GO:0031167 GO:0032040 GO:0034388 GO:0042254 GO:0042274
30.070.5575.210.040.723sfzA 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
40.070.5445.430.080.704ci8A 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
50.070.5474.820.040.674xfvA GO:0002098 GO:0005634 GO:0005654 GO:0005737 GO:0006351 GO:0006355 GO:0006357 GO:0006810 GO:0008017 GO:0015031 GO:0032447 GO:0033588
60.070.5424.640.070.651nr0A 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
70.070.5354.400.060.641pguB GO:0003779 GO:0005737 GO:0005856 GO:0005884 GO:0006970 GO:0030042 GO:0030479 GO:0032466 GO:0051016
80.070.4793.780.030.545cvlA 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
90.070.4404.370.050.513dm0A GO:0004871 GO:0005078 GO:0005215 GO:0005363 GO:0005634 GO:0005737 GO:0005829 GO:0006417 GO:0006810 GO:0006974 GO:0007165 GO:0008643 GO:0009507 GO:0009739 GO:0009749 GO:0009845 GO:0009967 GO:0010228 GO:0010476 GO:0015768 GO:0022626 GO:0030288 GO:0032947 GO:0034289 GO:0042254 GO:0042597 GO:0042956 GO:0043190 GO:0046686 GO:0055052 GO:0060326 GO:0071215 GO:1901982 GO:1990060
100.060.4002.450.060.432h9lA 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
110.060.3902.880.040.434ui9R GO:0005634 GO:0005654 GO:0005680 GO:0005737 GO:0005829 GO:0006281 GO:0006974 GO:0007049 GO:0007067 GO:0008284 GO:0010997 GO:0016567 GO:0031145 GO:0031572 GO:0031965 GO:0040020 GO:0042787 GO:0045732 GO:0051301 GO:0051436 GO:0051437 GO:0051439 GO:0070306 GO:0070979 GO:0090344 GO:0097027 GO:1904668
120.060.4033.210.040.444e54B 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
130.060.4312.300.070.463i2nA GO:0006915 GO:0043130
140.060.4382.070.060.464jxmA GO:0003723 GO:0005634 GO:0005654 GO:0005730 GO:0006364 GO:0030529 GO:0031428 GO:0032040 GO:0034511 GO:0044822
150.060.4421.560.030.451vyhC 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
160.060.4332.290.060.463ow8C 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
170.060.4332.800.030.474bujC GO:0000228 GO:0005634 GO:0005694 GO:0005737 GO:0006461 GO:0007131 GO:0034427 GO:0051321 GO:0051607 GO:0055087 GO:0065004 GO:0070478 GO:0070481
180.060.3743.990.040.433acpA GO:0000502 GO:0005634 GO:0005737 GO:0005829 GO:0006511 GO:0070682


Consensus prediction of GO terms
 
Molecular Function GO:0005515 GO:0032550 GO:0035639 GO:0016505 GO:0043028 GO:0032559
GO-Score 0.35 0.35 0.35 0.35 0.35 0.35
Biological Processes GO:0060322 GO:0048513 GO:0007417 GO:0048869 GO:0031667 GO:0097193 GO:0051259 GO:0010658 GO:0006309 GO:0071495 GO:0034976 GO:0071363 GO:2001233 GO:0009967 GO:0070997 GO:0060606 GO:0071559 GO:0043280 GO:0036293 GO:1903624 GO:0051128 GO:1900117 GO:0014020
GO-Score 0.46 0.46 0.46 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 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:0043231 GO:1903561 GO:0043234 GO:0044445 GO:0031988
GO-Score 0.46 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.