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I-TASSER results for job id Rv2008c

[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
10.23 17 4lzzT 08T Rep, Mult 25,80,81,82,83,84,85,86,128,129,158,420,421
20.17 11 3u60E MG Rep, Mult 85,128,129
30.09 7 5t0gE ATP Rep, Mult 26,79,82,83,84,85,86,191,420
40.01 1 3u5zL MG Rep, Mult 85,129,243
50.01 1 3shfA GBL Rep, Mult 250,307,314,319

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
10.0601moqA0.2596.720.0600.4102.6.1.16280
20.0601yrlC0.3536.630.0630.5511.1.1.86415
30.0601yq2A0.3607.310.0680.6033.2.1.23179
40.0601qbaA0.3607.120.0360.5963.2.1.52NA
50.0603b9eA0.3557.240.0350.5993.2.1.14128
60.0603fr8B0.3646.130.0520.5401.1.1.86NA
70.0602pdaA0.3747.260.0380.6301.2.7.176
80.0601ixsB0.3694.680.1320.4743.6.4.12NA
90.0601c7sA0.3647.170.0450.6013.2.1.52129
100.0602w00B0.3966.610.0440.6123.1.21.3NA
110.0601in5A0.3984.960.1500.5173.6.4.12NA
120.0602vdcF0.3527.230.0470.5781.4.1.13NA
130.0601hcuB0.3576.780.0660.5653.2.1.113NA
140.0602cqsA0.3317.590.0630.5852.4.1.20NA
150.0601b0pA0.3797.300.0540.6371.2.7.1NA
160.0602pflA0.3457.190.0720.5712.3.1.54289
170.0601mosA0.2546.970.0690.4192.6.1.16NA
180.0602vf4X0.2586.670.0740.4102.6.1.16NA
190.0601ea0A0.3447.190.0600.5741.4.1.13NA

(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
00.070.5601.910.140.592qenA GO:0000166 GO:0005524
10.070.5392.400.170.582fnaA GO:0000166 GO:0005524
20.070.5034.960.080.654v4lA GO:0002921 GO:0005524 GO:0006915 GO:0006919 GO:0007291 GO:0007423 GO:0008635 GO:0008656 GO:0010332 GO:0012501 GO:0021556 GO:0033353 GO:0034352 GO:0035006 GO:0035070 GO:0035071 GO:0042594 GO:0043065 GO:0043293 GO:0043531 GO:0046668 GO:0046672 GO:0048813 GO:0050700 GO:0051260 GO:0051291 GO:0070050 GO:0070328 GO:0097190 GO:0097199 GO:1901053
30.070.4864.780.060.633j2tA 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
40.070.4714.730.090.604m9sB GO:0000166 GO:0005524 GO:0005634 GO:0005739 GO:0005829 GO:0006915 GO:0008361 GO:0008635 GO:0008656 GO:0009792 GO:0010954 GO:0016020 GO:0016505 GO:0030155 GO:0042981 GO:0043065 GO:0043066 GO:0043281 GO:0043531 GO:0048471 GO:0048598 GO:0051432 GO:0051434 GO:0061133 GO:1902742 GO:2001056
50.060.4224.410.110.522qbyA GO:0000166 GO:0003677 GO:0005524 GO:0006260
60.060.3775.260.070.491z6tB 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
70.060.3255.600.050.463sfzA 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
80.060.3007.530.030.524xfvA GO:0002098 GO:0005634 GO:0005654 GO:0005737 GO:0006351 GO:0006355 GO:0006357 GO:0006810 GO:0008017 GO:0015031 GO:0032447 GO:0033588
90.060.2997.330.040.514ci8A 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
100.060.2837.570.050.503eifA GO:0004252 GO:0005618 GO:0006508 GO:0008233 GO:0008236 GO:0016020 GO:0016787
110.060.2897.440.030.501nr0A 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
120.060.2777.170.050.465cxbA GO:0000463 GO:0000466 GO:0005634 GO:0005654 GO:0005730 GO:0006364 GO:0030687 GO:0042254 GO:0042273 GO:0043021
130.060.2717.030.040.444nsxA GO:0005634 GO:0005654 GO:0005730 GO:0006364 GO:0030529 GO:0031167 GO:0032040 GO:0034388 GO:0042254 GO:0042274
140.060.2767.470.030.471pguB GO:0003779 GO:0005737 GO:0005856 GO:0005884 GO:0006970 GO:0030042 GO:0030479 GO:0032466 GO:0051016
150.060.2965.760.070.424ofxA GO:0004122 GO:0004124 GO:0005737 GO:0006535 GO:0016829 GO:0030170
160.060.2767.260.040.462ymuA GO:0016020 GO:0016021
170.060.2757.470.030.474o9dB GO:0000122 GO:0000781 GO:0005634 GO:0005737 GO:0005829 GO:0006348 GO:0006351 GO:0006355 GO:0016568 GO:0030466 GO:0030702 GO:0031048 GO:0031494 GO:0031618 GO:0031934 GO:0034507 GO:0034613 GO:0035391 GO:0043494 GO:0045132 GO:0045141 GO:0051572 GO:0051574 GO:1990141
180.060.2697.490.040.463wj9B GO:0002183 GO:0003743 GO:0005737 GO:0005829 GO:0006412 GO:0006413 GO:0006417 GO:0022627


Consensus prediction of GO terms
 
Molecular Function GO:0032550 GO:0035639 GO:0032559 GO:0043028 GO:0016505
GO-Score 0.58 0.58 0.58 0.37 0.37
Biological Processes GO:0006919
GO-Score 0.37
Cellular Component GO:0043293 GO:0005634 GO:0070062 GO:0048471 GO:0016020 GO:0005739
GO-Score 0.13 0.13 0.07 0.07 0.07 0.07

(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.