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I-TASSER results for job id Rv2802c

[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
10.06 3 1hu9A FE Rep, Mult 108,113,276,307
20.06 3 3psrA ZN Rep, Mult 309,315
30.04 2 3wmnA MQ8 Rep, Mult 335,339
40.04 2 1rxsA V7O Rep, Mult 308,309
50.04 2 5mbaA AZI Rep, Mult 155,327,330,331
60.02 1 4khoA CA Rep, Mult 104,107
70.02 1 3e1nA UNK Rep, Mult 116,270
80.02 1 1v7vA CA Rep, Mult 264,268,269
90.02 1 3aq0F PPV Rep, Mult 287,309
100.02 1 3kniX MG Rep, Mult 312,315
110.02 1 3k57A MG Rep, Mult 179,315
120.02 1 2istA BCT Rep, Mult 337,340
130.02 1 3h45X PO4 Rep, Mult 207,208,220,298,305
140.02 1 1o7dC MAN Rep, Mult 109,308
150.02 1 5erjA CPT Rep, Mult 122,261
160.02 1 3zvwC MG Rep, Mult 138,139
170.02 1 1k9yA PO4 Rep, Mult 207,294,295,298,299
180.02 1 4e9uA MG Rep, Mult 124,152
190.02 1 3h3oX EDO Rep, Mult 183,184,185,188,218,246
200.02 1 3pfdB IOD Rep, Mult 324,325,328

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
10.0601iduA0.4086.040.0530.6401.11.1.10NA
20.0603b9jJ0.2546.710.0400.4351.17.1.4,1.17.3.2202
30.0601fo4A0.3406.740.0220.5711.17.1.4NA
40.0602zf5Y0.3716.250.0700.6052.7.1.30180
50.0602ztgA0.3906.570.0420.6456.1.1.7NA
60.0601lf6A0.3866.450.0500.6343.2.1.353
70.0602ckjA0.3326.520.0250.5361.17.1.4,1.17.3.2NA
80.0601ug9A0.3806.420.0610.6233.2.1.7053,118
90.0603b9jI0.2275.100.0270.3201.17.1.4,1.17.3.2221
100.0601ti6A0.3697.330.0520.6691.97.1.2211
110.0601vncA0.3946.400.0670.6451.11.1.10119,181
120.0601ctsA0.3586.050.0610.5592.3.3.1,4.1.3.7276
130.0601k9yA0.3936.220.0630.6283.1.3.7NA
140.0602ifcC0.3675.970.0500.5622.3.3.1NA
150.0603flcX0.3786.440.0540.6282.7.1.30NA
160.0601e6vA0.3646.600.0340.5942.8.4.1315
170.0603kvnX0.3656.350.0450.5883.1.1.1258
180.0601ei5A0.3756.560.0640.6203.4.11.19NA
190.0602iukA0.3506.630.0260.5761.13.11.12NA

(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
00.060.5143.820.080.624wd9A GO:0005886 GO:0006810 GO:0016020 GO:0016021
10.060.3166.290.060.512bo4A GO:0016740 GO:0016758 GO:0046872 GO:0051479
20.060.2736.280.070.444xfvA GO:0002098 GO:0005634 GO:0005654 GO:0005737 GO:0006351 GO:0006355 GO:0006357 GO:0006810 GO:0008017 GO:0015031 GO:0032447 GO:0033588
30.060.2905.940.040.454ac8A GO:0004748 GO:0005506 GO:0005829 GO:0005971 GO:0009186 GO:0009263 GO:0016491 GO:0030145 GO:0046872 GO:0055114
40.060.2956.430.050.483jacA GO:0005261 GO:0005783 GO:0005789 GO:0005886 GO:0006810 GO:0006811 GO:0006812 GO:0008381 GO:0016020 GO:0016021 GO:0031258 GO:0033116 GO:0033625 GO:0033634 GO:0034220 GO:0042391 GO:0042995 GO:0050982 GO:0098655
50.060.2626.130.070.423hc6A GO:0000122 GO:0000980 GO:0001077 GO:0001080 GO:0001190 GO:0002376 GO:0003677 GO:0003690 GO:0003700 GO:0003705 GO:0003707 GO:0003713 GO:0003714 GO:0004872 GO:0004879 GO:0004887 GO:0005634 GO:0005654 GO:0005719 GO:0006109 GO:0006351 GO:0006355 GO:0006357 GO:0006367 GO:0006954 GO:0007165 GO:0007219 GO:0008206 GO:0008270 GO:0009749 GO:0010988 GO:0015721 GO:0016922 GO:0030522 GO:0032052 GO:0032496 GO:0034142 GO:0034255 GO:0034971 GO:0035356 GO:0038181 GO:0038183 GO:0038185 GO:0042277 GO:0043066 GO:0043124 GO:0043401 GO:0043565 GO:0045087 GO:0045944 GO:0046872 GO:0046965 GO:0048565 GO:0061178 GO:0070857 GO:0070858 GO:0071398 GO:0071417 GO:0072615 GO:0090181 GO:1902122 GO:1902714 GO:1904468 GO:2000213 GO:2001250
60.060.3086.680.070.513c0kA GO:0003723 GO:0005737 GO:0005829 GO:0006364 GO:0008168 GO:0008649 GO:0009383 GO:0016434 GO:0016740 GO:0031167 GO:0032259 GO:0044010 GO:0070475
70.060.2717.030.050.483jroA GO:0000139 GO:0005198 GO:0005634 GO:0005643 GO:0005773 GO:0005774 GO:0005783 GO:0005789 GO:0006810 GO:0012507 GO:0015031 GO:0016020 GO:0016192 GO:0030127 GO:0030433 GO:0031080 GO:0031081 GO:0031410 GO:0035859 GO:0042802 GO:0043547 GO:0045893 GO:0051028 GO:0090114 GO:1904263
80.060.2525.900.060.384q04B GO:0005509 GO:0046872
90.060.2386.410.040.394f2pB GO:0003824 GO:0008652 GO:0008782 GO:0008930 GO:0009086 GO:0009116 GO:0009164 GO:0016787 GO:0019284 GO:0019509
100.060.2266.960.040.403cawA GO:0046872
110.060.2356.110.070.374g89A GO:0003824 GO:0008652 GO:0008782 GO:0008930 GO:0009086 GO:0009116 GO:0009164 GO:0016787 GO:0019284 GO:0019509
120.060.2386.470.040.392h7yA GO:0003824 GO:0008152 GO:0009058 GO:0016740 GO:0016746 GO:0016747 GO:0016788 GO:0017000 GO:0031177 GO:0033068
130.060.2906.740.060.501h3eA GO:0000166 GO:0003723 GO:0004812 GO:0004831 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006437 GO:0016874
140.060.2205.910.040.343rk1B GO:0000166 GO:0005524
150.060.2515.730.040.383we7A GO:0046872
160.060.2325.520.030.343hnrA GO:0008152 GO:0008168 GO:0008757 GO:0016740 GO:0032259
170.060.1995.530.110.292lakA GO:0006950
180.060.1716.030.010.273lncA GO:0000166 GO:0004385 GO:0005524 GO:0005737 GO:0006163 GO:0016301 GO:0016310 GO:0016740 GO:0046037 GO:0046710


Consensus prediction of GO terms
 
Molecular Function GO:0008017 GO:0016758 GO:0005506 GO:0004748 GO:0005261 GO:0030145 GO:0008381
GO-Score 0.06 0.06 0.06 0.06 0.06 0.06 0.06
Biological Processes GO:0051234
GO-Score 0.36
Cellular Component GO:0016021 GO:0033588 GO:0005654 GO:0005971 GO:0005789 GO:0031258 GO:0033116
GO-Score 0.12 0.06 0.06 0.06 0.06 0.06 0.06

(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.