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I-TASSER results for job id Rv3888c

[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
10.62 104 3vx3B ADP Rep, Mult 99,100,101,102,103,104,105,267,268,296,297,298,301,302,305
20.02 3 1n2cE ALF Rep, Mult 99,100,103,104,128,130,212
30.02 4 3ez6A MG Rep, Mult 104,128,209,210
40.02 4 3q9lA ATP Rep, Mult 98,99,236
50.01 2 3r9iA III Rep, Mult 136,140,141,302,303,304,305
60.00 1 1nipB ADP Rep, Mult 97,98,212,213,242,243
70.00 1 1fp6A SF4 Rep, Mult 238,283,284,285
80.00 1 2afiN SF4 Rep, Mult 221,251,254

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
10.3031de0A0.6013.110.0950.6981.18.6.198,213
20.1993fgnA0.5163.100.1260.6046.3.3.3101,104,214
30.1691cp2B0.5933.200.0870.6951.18.6.199,129,213
40.1511a82A0.4862.930.1140.5666.3.3.3130
50.1262vo1B0.4533.310.1440.5346.3.4.2245,250
60.0603hmjA0.4665.350.0560.6772.3.1.86NA
70.0601vcoA0.4913.950.1150.6016.3.4.2NA
80.0603giqA0.4585.760.0730.7163.5.1.82252,254,259
90.0602vz8A0.4775.540.0410.7102.3.1.85NA
100.0601a0dA0.4485.660.0490.6725.3.1.5268
110.0601vcmA0.4903.960.1150.6016.3.4.2132
120.0602fhcA0.4526.730.0470.7773.2.1.41174,184
130.0601eg7A0.5334.120.0840.6806.3.4.3NA
140.0603gipA0.4575.780.0690.7163.5.1.82NA
150.0603cioA0.4743.910.1230.5722.7.10.2146
160.0602akaB0.4594.850.1060.6223.6.5.597,102
170.0602ad5B0.4903.990.1010.6016.3.4.2NA
180.0601a0dD0.4475.670.0570.6745.3.1.5NA
190.0601cp2A0.5933.200.0870.6951.18.6.198,213
200.0601vcnA0.4863.920.0960.5986.3.4.2NA
210.0602v3eA0.4535.180.0480.6483.2.1.45NA
220.0601qbaA0.4596.050.0620.7213.2.1.52263
230.0602vr5A0.4466.770.0450.7773.2.1.-89
240.0601kfwA0.4605.660.0700.6953.2.1.14209

(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
00.410.8542.570.130.953ez2B GO:0030541 GO:0042802
10.360.6092.400.160.671g3qA GO:0000166 GO:0005524 GO:0051301
20.350.5403.540.150.653kb1A GO:0000166 GO:0005524 GO:0016787 GO:0016887 GO:0046872 GO:0051536
30.300.5643.160.130.663kjeA GO:0000166 GO:0019415
40.300.6252.250.130.692bejA GO:0000166 GO:0003677 GO:0005524 GO:0007059 GO:0016787
50.280.4834.000.130.583la6B GO:0000166 GO:0000271 GO:0004713 GO:0005524 GO:0005886 GO:0005887 GO:0009103 GO:0009242 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0016887 GO:0018108 GO:0038083 GO:0045226
60.270.5842.680.170.661hyqA GO:0000166 GO:0005524 GO:0051301
70.260.5782.780.180.653pg5C GO:0005524 GO:0016491 GO:0055114
80.230.4813.500.170.583cwqA GO:0000166
90.220.5862.490.190.654v02A GO:0000166 GO:0005524 GO:0016887
100.220.6142.760.140.692ynmB GO:0000166 GO:0005524 GO:0015979 GO:0015995 GO:0016491 GO:0016636 GO:0016730 GO:0019685 GO:0036068 GO:0046148 GO:0046872 GO:0051536 GO:0051539 GO:0055114
110.200.6003.230.090.702afhE GO:0000166 GO:0005524 GO:0009399 GO:0016163 GO:0016491 GO:0016612 GO:0018697 GO:0046872 GO:0051536 GO:0051539 GO:0055114
120.190.5942.640.160.674rz2A GO:0000166 GO:0005524
130.170.4693.940.110.562vedB GO:0000166 GO:0004715 GO:0005576 GO:0006859 GO:0009103 GO:0015542 GO:0015992 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0018108 GO:0045226
140.160.5293.230.150.622ph1A GO:0000166 GO:0005524 GO:0016787 GO:0016887 GO:0046872 GO:0051536
150.120.5322.420.140.594dzzA GO:0000166
160.110.6092.610.150.681ionA GO:0000166 GO:0005524 GO:0051301
170.090.5933.200.090.691cp2A GO:0000166 GO:0005524 GO:0009399 GO:0016163 GO:0016491 GO:0016612 GO:0018697 GO:0046872 GO:0051536 GO:0051539 GO:0055114
180.070.6252.360.190.693ea0B GO:0000166 GO:0005524
190.070.5213.410.150.623ug7A GO:0000166 GO:0005524 GO:0015446 GO:0016787 GO:0016887 GO:0042802 GO:0046685 GO:0098655 GO:0098656
200.070.4743.910.120.573cioA GO:0000166 GO:0004713 GO:0005524 GO:0005886 GO:0009103 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0038083 GO:0042802 GO:0045226
210.070.4543.230.130.524jlvA GO:0000166 GO:0005576 GO:0006859 GO:0009103 GO:0015542 GO:0015992 GO:0016020 GO:0016021 GO:0045226
220.060.3335.710.060.504mzyA GO:0004514 GO:0004516 GO:0009435 GO:0016740 GO:0016757 GO:0016874 GO:0019358 GO:0019363
230.060.2953.000.140.341mvoA GO:0000160 GO:0003677 GO:0005737 GO:0006351 GO:0006355 GO:0006810 GO:0006817
240.060.3056.720.080.523ezyA GO:0008152 GO:0016491 GO:0050112 GO:0055114
250.060.2496.750.030.434cblA GO:0000166 GO:0001172 GO:0003723 GO:0003968 GO:0004175 GO:0004197 GO:0004252 GO:0004386 GO:0005216 GO:0005524 GO:0006508 GO:0006810 GO:0006811 GO:0008026 GO:0008233 GO:0008234 GO:0008236 GO:0016020 GO:0016021 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0016817 GO:0017111 GO:0019012 GO:0019062 GO:0019079 GO:0019082 GO:0030430 GO:0030683 GO:0033644 GO:0033897 GO:0034220 GO:0039503 GO:0039520 GO:0039548 GO:0039654 GO:0039663 GO:0039694 GO:0039707 GO:0042025 GO:0044228 GO:0044385 GO:0046718 GO:0051259 GO:0055036 GO:0070008 GO:0090502 GO:1903608 GO:1990219
260.060.2155.620.040.324r0bA GO:0005576 GO:0006810 GO:0006915 GO:0007275 GO:0032725 GO:0036094 GO:2000667 GO:2000778
270.060.1966.460.020.334z92A GO:0000166 GO:0001172 GO:0003723 GO:0003724 GO:0003968 GO:0004197 GO:0004386 GO:0005198 GO:0005216 GO:0005524 GO:0006351 GO:0006508 GO:0006810 GO:0006811 GO:0008233 GO:0008234 GO:0016020 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0017111 GO:0018144 GO:0019012 GO:0019015 GO:0019028 GO:0019062 GO:0030430 GO:0033644 GO:0034220 GO:0039520 GO:0039544 GO:0039611 GO:0039694 GO:0039707 GO:0044161 GO:0044162 GO:0044385 GO:0046718 GO:0051259 GO:0075509 GO:0075512
280.060.2175.620.040.331oqvA GO:0009289 GO:0009405 GO:0043230
290.060.1675.340.030.243zplE GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0044212


Consensus prediction of GO terms
 
Molecular Function GO:0005524 GO:0042802 GO:0016887 GO:0046872 GO:0051536 GO:0003677
GO-Score 0.71 0.41 0.35 0.35 0.35 0.30
Biological Processes GO:0030541 GO:0051301 GO:0019415 GO:0007059
GO-Score 0.41 0.36 0.30 0.30
Cellular Component
GO-Score

(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.