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I-TASSER results for job id Rv1480

[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
10.40 34 1v7pC MN Rep, Mult 103,105,107,204
20.11 11 3bqmB BQM Rep, Mult 98,124,128,137,200,223,225,226,227,287,288,289
30.01 1 1t6b1 III Rep, Mult 104,105,106,107,146,147,179,180,181,184,210
40.01 1 2ww8A CA Rep, Mult 139,153,155,157,162
50.01 1 2winK UUU Rep, Mult 108,116,117
60.01 1 1n9zA MG Rep, Mult 102,122,141,168
70.01 1 1oak1 III Rep, Mult 208,209,210,213,214,215,216,217,276,277,280
80.01 1 2b0qA MG Rep, Mult 204,231

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
10.0601v9cB0.4224.470.0630.5715.4.1.2NA
20.0603efvA0.4325.200.0580.6061.2.1.-NA
30.0601e5tA0.4145.700.0480.6223.4.21.26NA
40.0602ok5A0.4874.340.0790.6153.4.21.47NA
50.0603fg0C0.4335.080.0560.6031.2.1.8NA
60.0601cvrA0.4274.830.0620.5963.4.22.37NA
70.0601ua4A0.4165.590.0670.6182.7.1.147118,301
80.0602pffD0.4356.590.0220.7102.3.1.86125,131
90.0602jc9A0.4285.550.0340.6313.1.3.5NA
100.0602d4eC0.4345.330.0570.6181.2.1.60223
110.0601gc5A0.4175.750.0690.6252.7.1.147NA
120.0602pffA0.4336.300.0640.7102.3.1.41,2.3.1.86NA
130.0602prlA0.4156.540.0950.6971.3.3.1,1.3.99.11NA
140.0601uuoA0.4026.510.0700.6721.3.3.1,1.3.99.11NA
150.0602afvA0.4184.650.0520.5745.4.1.2NA
160.0601ky8A0.4265.350.0590.6031.2.1.9223
170.0602iw5A0.4245.470.0860.6221.-.-.-NA
180.0601pixA0.4365.810.0570.6724.1.1.70NA
190.0601a4sA0.4315.160.0510.6031.2.1.8,1.2.1.3NA

(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
00.360.4902.360.120.541shuX GO:0004872 GO:0005576 GO:0005783 GO:0005789 GO:0005886 GO:0009897 GO:0009986 GO:0010008 GO:0016020 GO:0016021 GO:0022414 GO:0046872 GO:1901998
10.310.4942.980.090.571aoxA GO:0001618 GO:0001666 GO:0002687 GO:0005178 GO:0005518 GO:0005634 GO:0005886 GO:0005925 GO:0006929 GO:0006971 GO:0007155 GO:0007160 GO:0007229 GO:0007565 GO:0007596 GO:0008283 GO:0008305 GO:0009887 GO:0009897 GO:0009986 GO:0010634 GO:0010694 GO:0014070 GO:0014075 GO:0014850 GO:0014911 GO:0016020 GO:0016021 GO:0016032 GO:0030198 GO:0030424 GO:0030879 GO:0031346 GO:0031589 GO:0032403 GO:0032967 GO:0033343 GO:0033591 GO:0033627 GO:0034666 GO:0038064 GO:0038065 GO:0042060 GO:0042493 GO:0042995 GO:0043236 GO:0043388 GO:0043589 GO:0043679 GO:0045178 GO:0045184 GO:0045727 GO:0045785 GO:0045987 GO:0046718 GO:0046872 GO:0046982 GO:0048041 GO:0048333 GO:0048471 GO:0048661 GO:0050729 GO:0050927 GO:0050966 GO:0051971 GO:0060100 GO:0070365 GO:0071107 GO:0071260 GO:0071392 GO:0071407 GO:0098639
20.300.4902.700.090.551na5A GO:0001948 GO:0005615 GO:0005886 GO:0007155 GO:0007229 GO:0008305 GO:0009986 GO:0010668 GO:0016020 GO:0016021 GO:0030198 GO:0034142 GO:0046872 GO:0050900 GO:0070062
30.280.4802.960.120.551pt6B GO:0000187 GO:0001669 GO:0005102 GO:0005518 GO:0005886 GO:0005925 GO:0006936 GO:0007155 GO:0007160 GO:0007229 GO:0008285 GO:0008305 GO:0009897 GO:0009986 GO:0016020 GO:0016021 GO:0019903 GO:0030198 GO:0030593 GO:0032516 GO:0034665 GO:0042059 GO:0042311 GO:0043005 GO:0043204 GO:0043525 GO:0045121 GO:0045123 GO:0045178 GO:0046872 GO:0048812 GO:0060326 GO:0070062 GO:0098639
40.230.5651.950.130.614jduA GO:0016020 GO:0016021 GO:0046872
50.220.4962.860.090.572i6qA GO:0004252 GO:0005576 GO:0006508 GO:0006956 GO:0008233 GO:0008236 GO:0016787 GO:0046872
60.220.4752.820.130.555a5bW GO:0000502 GO:0005198 GO:0005634 GO:0005829 GO:0006511 GO:0008540 GO:0031593 GO:0043161 GO:0043248
70.140.4752.330.100.522x5nA GO:0000502 GO:0005634 GO:0005829 GO:0006511 GO:0008540 GO:0036435 GO:0043161 GO:0043248 GO:0045842
80.110.5353.580.080.644cn9A GO:0046872
90.100.4932.770.110.565ivw0 GO:0000439 GO:0000717 GO:0002031 GO:0003676 GO:0003700 GO:0004672 GO:0005634 GO:0005654 GO:0005675 GO:0006281 GO:0006283 GO:0006289 GO:0006293 GO:0006294 GO:0006295 GO:0006296 GO:0006351 GO:0006355 GO:0006361 GO:0006362 GO:0006363 GO:0006366 GO:0006367 GO:0006368 GO:0006370 GO:0006412 GO:0006468 GO:0006974 GO:0008094 GO:0008135 GO:0008270 GO:0008353 GO:0009411 GO:0033683 GO:0046872 GO:0047485 GO:0070911
100.070.4802.780.120.543n2nA GO:0004872 GO:0004888 GO:0005518 GO:0005886 GO:0007165 GO:0009986 GO:0010008 GO:0016020 GO:0016021 GO:0022414 GO:0031258 GO:0031527 GO:0031532 GO:0034446 GO:0042995 GO:0046872 GO:0051015 GO:0070062
110.070.5911.740.130.633ibsA GO:0016020 GO:0016021
120.070.4922.670.100.554wfqA GO:0000112 GO:0000439 GO:0000990 GO:0005634 GO:0005675 GO:0006281 GO:0006289 GO:0006351 GO:0006355 GO:0006366 GO:0006974 GO:0008270 GO:0016567 GO:0046872 GO:0061630 GO:0070816
130.070.4692.350.100.522iueA GO:0001948 GO:0005886 GO:0006954 GO:0007159 GO:0007160 GO:0007229 GO:0009986 GO:0016020 GO:0016021 GO:0019901 GO:0030141 GO:0030369 GO:0030593 GO:0034113 GO:0034687 GO:0035987 GO:0043113 GO:0043235 GO:0050730 GO:0050839 GO:0070062 GO:1903561
140.070.5174.250.080.663eh1A GO:0000139 GO:0001843 GO:0002093 GO:0002474 GO:0003151 GO:0005215 GO:0005737 GO:0005783 GO:0005789 GO:0005794 GO:0005829 GO:0006810 GO:0006886 GO:0006888 GO:0008270 GO:0012507 GO:0015031 GO:0016020 GO:0016192 GO:0019886 GO:0021747 GO:0030127 GO:0030134 GO:0035909 GO:0048208 GO:0048471 GO:0060088 GO:0060425 GO:0060463 GO:0060982 GO:0061156 GO:0072358 GO:0090178 GO:1901301
150.070.5254.130.090.661m2vB GO:0000139 GO:0005048 GO:0005737 GO:0005783 GO:0005789 GO:0005794 GO:0006810 GO:0006886 GO:0006888 GO:0008270 GO:0012507 GO:0015031 GO:0016020 GO:0016192 GO:0016236 GO:0030127 GO:0031410 GO:0046872 GO:0090110
160.070.5184.160.080.663egdB GO:0000139 GO:0002474 GO:0005737 GO:0005783 GO:0005789 GO:0005794 GO:0005829 GO:0006810 GO:0006886 GO:0006888 GO:0008270 GO:0012507 GO:0015031 GO:0016020 GO:0016192 GO:0019886 GO:0030127 GO:0045714 GO:0048208 GO:0048471 GO:0050714 GO:2000189
170.070.3046.890.050.543eg9A GO:0000139 GO:0002474 GO:0005783 GO:0005789 GO:0005794 GO:0005829 GO:0006810 GO:0006886 GO:0006888 GO:0008270 GO:0012507 GO:0015031 GO:0016020 GO:0016192 GO:0019886 GO:0030127 GO:0030134 GO:0030868 GO:0048208 GO:0048471
180.070.5104.160.080.653efoB GO:0000139 GO:0001701 GO:0002474 GO:0005737 GO:0005783 GO:0005789 GO:0005794 GO:0005829 GO:0006810 GO:0006886 GO:0006888 GO:0008270 GO:0012507 GO:0015031 GO:0016020 GO:0016192 GO:0019886 GO:0030127 GO:0048208 GO:0048471
190.070.5234.350.080.661pcxA GO:0000139 GO:0005048 GO:0005737 GO:0005783 GO:0005789 GO:0005794 GO:0006810 GO:0006886 GO:0006888 GO:0008270 GO:0012507 GO:0015031 GO:0016020 GO:0016192 GO:0016236 GO:0030127 GO:0031410 GO:0046872 GO:0090110
200.070.5114.130.080.653eh2A GO:0000139 GO:0002474 GO:0005737 GO:0005783 GO:0005789 GO:0005794 GO:0005829 GO:0006810 GO:0006886 GO:0006888 GO:0008270 GO:0012507 GO:0015031 GO:0016020 GO:0016192 GO:0019886 GO:0030127 GO:0048208 GO:0048471
210.070.5034.170.080.634bziA GO:0000139 GO:0003400 GO:0005096 GO:0005737 GO:0005783 GO:0005789 GO:0005794 GO:0006810 GO:0006886 GO:0006888 GO:0008270 GO:0012507 GO:0015031 GO:0016020 GO:0016192 GO:0016236 GO:0030127 GO:0031410 GO:0043547 GO:0046872
220.070.5003.560.070.595e6uA GO:0002291 GO:0005886 GO:0006928 GO:0006954 GO:0007155 GO:0007157 GO:0007159 GO:0007160 GO:0007165 GO:0007229 GO:0008305 GO:0009986 GO:0016020 GO:0016021 GO:0016337 GO:0030198 GO:0030369 GO:0032403 GO:0034687 GO:0043113 GO:0046872 GO:0046982 GO:0050776 GO:0050839 GO:0050900 GO:0070062
230.070.4752.880.160.554dmuJ GO:0001948 GO:0002020 GO:0002576 GO:0005178 GO:0005518 GO:0005576 GO:0005578 GO:0005783 GO:0007155 GO:0007596 GO:0007597 GO:0007599 GO:0009611 GO:0019865 GO:0030168 GO:0030198 GO:0031012 GO:0031091 GO:0031093 GO:0031589 GO:0033093 GO:0035902 GO:0042802 GO:0042803 GO:0047485 GO:0051087 GO:0051260 GO:0070062
240.070.4802.560.090.544igiA GO:0004867 GO:0005578 GO:0005581 GO:0005615 GO:0010951 GO:0031012 GO:0042383 GO:0070062 GO:1903561
250.070.4862.960.130.564f1jA GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0046872 GO:0097367 GO:0019902 GO:0098639 GO:0043236 GO:0046982 GO:0005178 GO:0001618 GO:0038064
GO-Score 0.83 0.60 0.55 0.50 0.31 0.31 0.31 0.31 0.31
Biological Processes GO:0030198 GO:0007229 GO:0002224 GO:0007398 GO:0042058 GO:0043666 GO:0043065 GO:0048858 GO:0043406 GO:1990266 GO:0043523 GO:1901185 GO:0032147 GO:1901216 GO:0050880 GO:0035307 GO:0031175 GO:0071621 GO:1901998 GO:0033627 GO:0071260 GO:0006929 GO:0071107 GO:0050729 GO:0042493 GO:0043589 GO:0006971 GO:0045727 GO:0051971 GO:0010694 GO:0043388 GO:0048333 GO:0002687 GO:0033591 GO:0007565 GO:0048041 GO:0038065 GO:0001666 GO:0010634 GO:0048661 GO:0050966 GO:0071392 GO:0014850 GO:0046718 GO:0032967 GO:0070365 GO:0030879 GO:0031346 GO:0045987 GO:0050927 GO:0014075 GO:0045785 GO:0033343 GO:0007596 GO:0045184 GO:0060100 GO:0014911
GO-Score 0.65 0.65 0.60 0.60 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.36 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31
Cellular Component GO:0009897 GO:0097223 GO:0043025 GO:0098857 GO:0030141 GO:0005925 GO:0045178 GO:0070062 GO:0005789 GO:0010008 GO:0043679 GO:0005634 GO:0034666 GO:0048471
GO-Score 0.68 0.55 0.55 0.55 0.55 0.50 0.50 0.49 0.36 0.36 0.31 0.31 0.31 0.31

(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.