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I-TASSER results for job id Rv3819

[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
10.08 4 4d2eC 78M Rep, Mult 102,106
20.06 3 4dx9s III Rep, Mult 34,37,38,108
30.04 2 3ao3A BMC Rep, Mult 62,63,71
40.04 2 4rb62 MG Rep, Mult 96,99
50.04 2 4rkuJ CLA Rep, Mult 98,101
60.04 2 3mdbC IP9 Rep, Mult 8,19,21,30,85
70.02 1 2bx2L MG Rep, Mult 67,80
80.02 1 3zvwC MG Rep, Mult 71,72
90.02 1 3huzF MG Rep, Mult 67,70
100.02 1 1i7aA PHE Rep, Mult 18,32
110.02 1 1hmvA MG Rep, Mult 7,43,59
120.02 1 2iy4S FE Rep, Mult 100,103,104
130.02 1 2l2iA III Rep, Mult 38,39,40,41,42,76,78,87,89,103,106,107,110,111
140.02 1 1wsgD MN Rep, Mult 7,8
150.02 1 3ke6B MN Rep, Mult 80,81,83
160.02 1 3aj4A SEP Rep, Mult 77,79,80,81,82,85,87,102

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
10.0602dynA0.5233.120.0930.7213.6.5.5NA
20.0601mp8A0.3774.290.1120.6492.7.10.2,2.7.1.11257
30.0602j0lA0.3404.760.0370.6312.7.10.214
40.0601shcA0.5103.160.0840.7482.7.10.199
50.0601k7yA0.4613.650.0500.7302.1.1.13NA
60.0601mskA0.4513.890.0500.7482.1.1.13NA
70.0601i1lA0.4424.210.0800.7392.6.1.4230
80.0603gmaB0.4674.780.0390.8384.1.1.70NA
90.0602v5aB0.4394.890.0870.8296.3.4.1434,79
100.0601pjxA0.4174.470.0840.7483.1.8.2NA
110.0602vqdA0.4514.950.0480.8476.3.4.14,6.4.1.2NA
120.0601bakA0.5572.830.1080.7482.7.11.1517,37
130.0601p6sA0.5202.890.0360.7032.7.11.1NA
140.0601bwnA0.6123.100.0960.8202.7.10.2NA
150.0603gf7A0.4694.680.0390.8384.1.1.70NA
160.0603exeA0.4783.980.1010.8021.2.4.1NA
170.0602oknA0.4394.880.0650.8563.4.13.9NA
180.0601unpA0.5752.610.0360.7302.7.11.1NA
190.0602kieA0.5382.970.0660.7393.1.3.3632,38

(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
00.170.5942.130.120.733ulbA GO:0001558 GO:0005546 GO:0005737 GO:0005773 GO:0005774 GO:0005886 GO:0016020 GO:0017016 GO:0030950 GO:0031505 GO:0031929 GO:0031932 GO:0046580
10.120.5772.650.120.752dn6A GO:0003677 GO:0005509 GO:0005524 GO:0005634 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005913 GO:0007204 GO:0008064 GO:0016020 GO:0016444 GO:0030027 GO:0030835 GO:0032233 GO:0032880 GO:0033633 GO:0042995 GO:0045190 GO:0051017 GO:0060754 GO:0098609 GO:0098641 GO:1902309
20.120.5982.470.110.751eazA GO:0001553 GO:0005634 GO:0005654 GO:0005737 GO:0005886 GO:0007283 GO:0008209 GO:0008210 GO:0008289 GO:0008585 GO:0009791 GO:0014065 GO:0016020 GO:0030165 GO:0031529 GO:0032587 GO:0033327 GO:0035264 GO:0043325 GO:0045184 GO:0048008 GO:0048705 GO:0050853 GO:0051898 GO:0060021 GO:0060325 GO:0070062 GO:0070301
30.110.5542.990.040.723tfmA GO:0000166 GO:0001726 GO:0003774 GO:0003779 GO:0005516 GO:0005524 GO:0005547 GO:0005730 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005938 GO:0006810 GO:0008360 GO:0016020 GO:0016459 GO:0022409 GO:0030027 GO:0030175 GO:0030507 GO:0030705 GO:0030898 GO:0031527 GO:0032433 GO:0042995 GO:0043005 GO:0043025 GO:0051015 GO:0051489 GO:0060002
40.080.6202.870.090.822lulA GO:0000166 GO:0002250 GO:0002376 GO:0004672 GO:0004713 GO:0004715 GO:0005102 GO:0005524 GO:0005543 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0006468 GO:0007169 GO:0007229 GO:0008289 GO:0010543 GO:0016020 GO:0016301 GO:0016310 GO:0016740 GO:0018108 GO:0030154 GO:0031234 GO:0035556 GO:0038083 GO:0038095 GO:0042127 GO:0042246 GO:0045087 GO:0046872 GO:0050731 GO:0050853
50.070.6052.920.100.814y93A GO:0000166 GO:0001818 GO:0004672 GO:0004713 GO:0004715 GO:0005102 GO:0005524 GO:0005547 GO:0005634 GO:0005737 GO:0005829 GO:0005886 GO:0006468 GO:0007169 GO:0007249 GO:0016301 GO:0016310 GO:0016740 GO:0018108 GO:0030154 GO:0031234 GO:0031410 GO:0035556 GO:0038083 GO:0042127 GO:0042802 GO:0043231 GO:0045087 GO:0045121 GO:0046872 GO:0048469
60.070.6222.810.050.812dhiA GO:0005768 GO:0016020 GO:0016021 GO:0045595 GO:0055038
70.070.5672.520.040.712x18E GO:0000002 GO:0000166 GO:0004672 GO:0004674 GO:0005524 GO:0005622 GO:0005634 GO:0005654 GO:0005737 GO:0005794 GO:0005886 GO:0006468 GO:0007165 GO:0016020 GO:0016301 GO:0016310 GO:0016740 GO:0018105 GO:0035556
80.070.5962.790.100.802d9vA GO:0001750 GO:0005737 GO:0007275 GO:0008022 GO:0016020 GO:0016021 GO:0042803 GO:0045595
90.070.6123.090.100.821btkB GO:0000166 GO:0001818 GO:0002250 GO:0002376 GO:0002721 GO:0002755 GO:0002902 GO:0004672 GO:0004713 GO:0004715 GO:0005102 GO:0005524 GO:0005547 GO:0005634 GO:0005737 GO:0005829 GO:0005886 GO:0006351 GO:0006355 GO:0006468 GO:0006915 GO:0007169 GO:0007249 GO:0007498 GO:0008289 GO:0016020 GO:0016301 GO:0016310 GO:0016740 GO:0018108 GO:0019722 GO:0031234 GO:0031410 GO:0035556 GO:0038083 GO:0038095 GO:0042113 GO:0042127 GO:0042802 GO:0043231 GO:0045087 GO:0045121 GO:0045579 GO:0046872 GO:0048469 GO:0050853 GO:0051092 GO:0097190
100.070.5713.170.100.791x1gA GO:0005737 GO:0005856 GO:0005886 GO:0016020 GO:0030036 GO:0031258 GO:0035556 GO:0042995
110.070.5752.610.040.731unpA GO:0000060 GO:0000166 GO:0001649 GO:0001893 GO:0001934 GO:0001938 GO:0004672 GO:0004674 GO:0004712 GO:0005080 GO:0005524 GO:0005547 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005819 GO:0005829 GO:0005886 GO:0005911 GO:0005975 GO:0005977 GO:0005978 GO:0005979 GO:0006006 GO:0006412 GO:0006417 GO:0006464 GO:0006468 GO:0006469 GO:0006809 GO:0006810 GO:0006915 GO:0006924 GO:0006954 GO:0006974 GO:0006979 GO:0007165 GO:0007186 GO:0007275 GO:0007281 GO:0007399 GO:0007568 GO:0008283 GO:0008286 GO:0008637 GO:0008643 GO:0009408 GO:0009725 GO:0010033 GO:0010507 GO:0010629 GO:0010748 GO:0010763 GO:0010765 GO:0010907 GO:0010951 GO:0010975 GO:0014066 GO:0015630 GO:0015758 GO:0016020 GO:0016301 GO:0016310 GO:0016567 GO:0016740 GO:0018105 GO:0018107 GO:0019899 GO:0019901 GO:0021510 GO:0030030 GO:0030154 GO:0030163 GO:0030168 GO:0030212 GO:0030235 GO:0030307 GO:0030334 GO:0031018 GO:0031295 GO:0031641 GO:0031659 GO:0031663 GO:0031982 GO:0031999 GO:0032079 GO:0032094 GO:0032270 GO:0032287 GO:0032436 GO:0032794 GO:0032869 GO:0032880 GO:0033138 GO:0034405 GO:0035556 GO:0035924 GO:0036064 GO:0036294 GO:0038128 GO:0042593 GO:0042802 GO:0043065 GO:0043066 GO:0043154 GO:0043234 GO:0043325 GO:0043488 GO:0043491 GO:0043536 GO:0045429 GO:0045600 GO:0045725 GO:0045742 GO:0045792 GO:0045861 GO:0045907 GO:0045944 GO:0046326 GO:0046329 GO:0046777 GO:0046889 GO:0048009 GO:0048015 GO:0050999 GO:0051000 GO:0051091 GO:0051146 GO:0051721 GO:0060416 GO:0060644 GO:0060709 GO:0060716 GO:0070141 GO:0071260 GO:0071363 GO:0071364 GO:0071380 GO:0071407 GO:0071456 GO:0071889 GO:0072655 GO:0072656 GO:0090004 GO:0090201 GO:0097011 GO:0097194 GO:0098794 GO:0099565 GO:0100002 GO:1900182 GO:1901215 GO:1901653 GO:1901796 GO:1901976 GO:1902176 GO:1990090 GO:1990418 GO:2001240
120.070.5723.220.030.791maiA GO:0004435 GO:0004871 GO:0005509 GO:0005543 GO:0005546 GO:0005634 GO:0005829 GO:0006629 GO:0007165 GO:0007186 GO:0008081 GO:0010044 GO:0010243 GO:0010701 GO:0016020 GO:0016042 GO:0016787 GO:0031966 GO:0032962 GO:0034696 GO:0035556 GO:0043434 GO:0045121 GO:0046872 GO:0051480 GO:0051482 GO:0051592 GO:0055093 GO:1900274
130.070.5532.710.090.702r09A GO:0001726 GO:0005085 GO:0005086 GO:0005547 GO:0005737 GO:0005829 GO:0005886 GO:0008289 GO:0016020 GO:0031234 GO:0032012 GO:0043547 GO:0045785 GO:0048193 GO:0090162
140.070.5742.710.030.761plsA GO:0002244 GO:0002576 GO:0005080 GO:0005576 GO:0005737 GO:0005829 GO:0006904 GO:0007229 GO:0010572 GO:0010920 GO:0010925 GO:0016020 GO:0030030 GO:0030836 GO:0030845 GO:0030866 GO:0031529 GO:0031532 GO:0032233 GO:0032587 GO:0033625 GO:0035556 GO:0042803 GO:0043325 GO:0045744 GO:0046488 GO:0050849 GO:0060305 GO:0070493 GO:0070527 GO:0070528 GO:0070560
150.070.5642.540.120.701u27A GO:0005085 GO:0005086 GO:0005737 GO:0005886 GO:0008289 GO:0016020 GO:0030155 GO:0030426 GO:0032012 GO:0042995 GO:0043547 GO:0070679
160.070.5652.480.070.711upqA GO:0005545 GO:0005737 GO:0008289 GO:0016020
170.070.5812.660.080.771v5uA GO:0001558 GO:0001691 GO:0005085 GO:0005634 GO:0007283 GO:0017112 GO:0019208 GO:0043086 GO:0043087 GO:0043547
180.070.5582.510.050.714ckgA GO:0005096 GO:0005768 GO:0006810 GO:0015031 GO:0016020 GO:0043547 GO:0046872 GO:0055038
190.070.5653.080.130.782d9zA GO:0000166 GO:0004672 GO:0004674 GO:0004697 GO:0005524 GO:0005654 GO:0005737 GO:0006468 GO:0007205 GO:0016020 GO:0016301 GO:0016310 GO:0016740 GO:0035556 GO:0046872
200.070.5653.250.090.771x05A GO:0002244 GO:0002576 GO:0005080 GO:0005576 GO:0005737 GO:0005829 GO:0006904 GO:0007229 GO:0010572 GO:0010920 GO:0010925 GO:0016020 GO:0030030 GO:0030836 GO:0030845 GO:0030866 GO:0031529 GO:0031532 GO:0032233 GO:0032587 GO:0033625 GO:0035556 GO:0042803 GO:0043325 GO:0045744 GO:0046488 GO:0050849 GO:0060305 GO:0070493 GO:0070527 GO:0070528 GO:0070560
210.070.5862.630.070.751u5dA GO:0002250 GO:0002376 GO:0005070 GO:0005634 GO:0005737 GO:0005829 GO:0005886 GO:0005911 GO:0009967 GO:0016020 GO:0017124 GO:0019901 GO:0019903 GO:0032403 GO:0042101 GO:0042169 GO:0045785 GO:0045893 GO:0045944 GO:0050852 GO:0072659
220.070.5862.330.140.721fb8A GO:0005543 GO:0005547 GO:0005737 GO:0005829 GO:0005886 GO:0006470 GO:0007165 GO:0016020 GO:0043325
230.070.5372.840.100.734hhvA GO:0000902 GO:0001701 GO:0003007 GO:0004672 GO:0005654 GO:0005737 GO:0005739 GO:0005783 GO:0005789 GO:0005794 GO:0005829 GO:0006468 GO:0006672 GO:0006810 GO:0006869 GO:0006936 GO:0006955 GO:0007029 GO:0007165 GO:0008283 GO:0008289 GO:0016301 GO:0016310 GO:0030148 GO:0034976 GO:0035620 GO:0035621 GO:0048471 GO:0055088 GO:0070273 GO:0070584 GO:0097001
240.070.5482.630.120.704a6fA GO:0001558 GO:0005546 GO:0005886 GO:0016020 GO:0016197 GO:0030036 GO:0030950 GO:0031929 GO:0031932 GO:0032126 GO:0038203 GO:0045121 GO:0046625 GO:0051017 GO:0070941 GO:0090002
250.070.5583.090.100.764a5kB GO:0001558 GO:0005546 GO:0005886 GO:0016020 GO:0016197 GO:0030036 GO:0030950 GO:0031929 GO:0031932 GO:0032126 GO:0038203 GO:0045121 GO:0046625 GO:0051017 GO:0070941 GO:0090002


Consensus prediction of GO terms		 
Molecular Function GO:0032550 GO:0035639 GO:0032559 GO:0031267 GO:1902936
GO-Score 0.55 0.55 0.55 0.34 0.34
Biological Processes GO:0050851 GO:0030036 GO:0046578 GO:0051128 GO:0040008 GO:0071852 GO:0071555 GO:0051058 GO:0016049 GO:0030952
GO-Score 0.37 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
Cellular Component GO:0043232 GO:0005886 GO:0042995 GO:0031252 GO:0044437 GO:0038201 GO:0098805 GO:0043234 GO:0098588
GO-Score 0.55 0.47 0.43 0.43 0.34 0.34 0.34 0.34 0.34

(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.