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I-TASSER results for job id Rv0674

[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 2 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
10.04 2 4hfdA MBR Rep, Mult 193,196,197,199,220
20.04 2 3l26B MG Rep, Mult 202,203,213
30.04 2 1a9x1 III Rep, Mult 5,7,8,44,45,46
40.04 2 1fx4A MG Rep, Mult 161,199
50.04 2 3ffzA NA Rep, Mult 28,29,31,32,36,37
60.02 1 2zkrp NUC Rep, Mult 101,104
70.02 1 1m3xL BPH Rep, Mult 223,226,227
80.02 1 3c67B GLC Rep, Mult 172,187,190,191,194
90.02 1 1izlB CLA Rep, Mult 30,233
100.02 1 1ay5A MAE Rep, Mult 61,194
110.02 1 5hxcA MYC Rep, Mult 188,192,216
120.02 1 3qnfA UUU Rep, Mult 91,119,124,125
130.02 1 1m34A SF4 Rep, Mult 27,28
140.02 1 4r7cA GLY Rep, Mult 186,190,223
150.02 1 1jdbH GLN Rep, Mult 9,31,40,41
160.02 1 1rwtF CLA Rep, Mult 195,196,200,211
170.02 1 2zxeB CLR Rep, Mult 216,220
180.02 1 1ystL BCL Rep, Mult 170,223
190.02 1 2zh0L HIS Rep, Mult 220,221
200.02 1 2p1rC CA Rep, Mult 115,117

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
10.0602d0vA0.3966.550.0500.7501.1.99.8NA
20.0601ut9A0.3935.610.0470.6373.2.1.4NA
30.0602cqsA0.3896.350.0540.7292.4.1.20NA
40.0601w6sC0.3916.360.0460.7211.1.99.8NA
50.0603b8aX0.3896.350.0500.7042.7.1.1210
60.0602ihvA0.3905.830.0400.6712.5.1.66NA
70.0601h54B0.4066.320.0520.7462.4.1.8118
80.0602e0wB0.3905.700.0220.6582.3.2.2NA
90.0601lrwC0.3756.540.0400.7081.1.99.8112
100.0601l2aE0.3974.910.0330.5963.2.1.4NA
110.0603ebgA0.4235.260.0560.6753.4.11.-NA
120.0601y8bA0.4186.310.0320.7462.3.3.9NA
130.0602zufA0.3944.740.0390.5676.1.1.19NA
140.0602e7zA0.3926.210.0330.6834.2.1.71NA
150.0601aozA0.3956.190.0390.6921.10.3.3NA
160.0603fnrA0.4014.530.0410.5716.1.1.19NA
170.0603fvyA0.4095.960.0560.7213.4.14.4NA
180.0602dqmA0.3995.900.0500.6793.4.11.2NA
190.0602z8kC0.2765.560.0450.4382.3.2.2NA

(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
00.680.9131.510.920.973kfwX GO:0005576 GO:0040007
10.070.4425.670.050.724m1mA GO:0000086 GO:0000166 GO:0002481 GO:0002485 GO:0002489 GO:0002591 GO:0005524 GO:0005886 GO:0006810 GO:0006855 GO:0008559 GO:0009986 GO:0015893 GO:0016020 GO:0016021 GO:0016787 GO:0016887 GO:0042623 GO:0042626 GO:0042908 GO:0046581 GO:0055085 GO:0070062 GO:0072089
20.060.3636.330.070.675do7A GO:0000166 GO:0005524 GO:0005886 GO:0006810 GO:0007584 GO:0007588 GO:0010212 GO:0010949 GO:0015918 GO:0016020 GO:0016021 GO:0016324 GO:0016887 GO:0017127 GO:0030299 GO:0033344 GO:0042493 GO:0042626 GO:0042632 GO:0043190 GO:0043235 GO:0045177 GO:0045796 GO:0046982 GO:0055085
30.060.3236.660.050.615da9A GO:0000723 GO:0005089 GO:0005524 GO:0005634 GO:0006281 GO:0016887 GO:0030870 GO:0035023 GO:0043547
40.060.3525.380.040.555b0oB GO:0000166 GO:0005524 GO:0005737 GO:0006754 GO:0006810 GO:0006811 GO:0009058 GO:0015031 GO:0015992 GO:0016787 GO:0016887 GO:0030254 GO:0030257 GO:0044780 GO:0044781 GO:0071973
50.060.3076.420.050.573pihA GO:0000166 GO:0003677 GO:0003824 GO:0004518 GO:0005524 GO:0005737 GO:0006281 GO:0006289 GO:0006974 GO:0008270 GO:0009380 GO:0009381 GO:0009432 GO:0016887 GO:0046872 GO:0090305
60.060.3246.550.050.603ozxB GO:0000054 GO:0000166 GO:0005506 GO:0005524 GO:0005623 GO:0005852 GO:0006413 GO:0006415 GO:0016887 GO:0043024
70.060.3026.520.050.571oxuA GO:0000166 GO:0005524 GO:0016887
80.060.3276.180.040.582iw3B GO:0000166 GO:0001933 GO:0003723 GO:0003746 GO:0005524 GO:0005737 GO:0005840 GO:0006412 GO:0006414 GO:0006415 GO:0006469 GO:0010494 GO:0016887 GO:0019843 GO:0022626 GO:0042788
90.060.3286.150.050.575da9B GO:0000723 GO:0005089 GO:0005524 GO:0005634 GO:0006281 GO:0016887 GO:0030870 GO:0035023 GO:0043547
100.060.3196.260.030.564crmP GO:0000054 GO:0000166 GO:0003743 GO:0005506 GO:0005524 GO:0005634 GO:0005737 GO:0005852 GO:0006364 GO:0006412 GO:0006413 GO:0006415 GO:0006810 GO:0016887 GO:0022626 GO:0032790 GO:0042254 GO:0042273 GO:0043024 GO:0045727
110.060.3196.050.050.562d62A GO:0000166 GO:0005215 GO:0005524 GO:0006810 GO:0016820 GO:0016887 GO:0043190 GO:0055085
120.060.3236.530.070.623auyA GO:0000166 GO:0005524 GO:0006281 GO:0006302 GO:0006974 GO:0008270 GO:0016787 GO:0016887 GO:0046872
130.060.3036.390.050.563zqjA GO:0000166 GO:0003677 GO:0003824 GO:0004518 GO:0005524 GO:0005618 GO:0005737 GO:0005829 GO:0005886 GO:0006281 GO:0006289 GO:0006974 GO:0008270 GO:0009380 GO:0009381 GO:0009432 GO:0016887 GO:0046872 GO:0060543 GO:0090305
140.060.3066.060.050.524ry2A GO:0005524 GO:0006508 GO:0006810 GO:0008233 GO:0008234 GO:0016020 GO:0016021 GO:0016887 GO:0022885 GO:0042626 GO:0043213 GO:0055085
150.060.3136.180.050.563jagjj GO:0000166 GO:0005524 GO:0005737 GO:0005739 GO:0016020 GO:0016887
160.060.3536.470.030.654hvtA GO:0004252 GO:0006508 GO:0008236 GO:0016787 GO:0070008
170.060.2606.300.020.471kzhB GO:0003872 GO:0005524 GO:0005737 GO:0006002 GO:0006096 GO:0016301 GO:0016310 GO:0016740 GO:0046835 GO:0046872 GO:0047334 GO:0061615
180.060.2946.640.060.562vf8B GO:0000166 GO:0003677 GO:0004518 GO:0005524 GO:0005737 GO:0006281 GO:0006289 GO:0006974 GO:0009380 GO:0009381 GO:0016887 GO:0046872 GO:0090305


Consensus prediction of GO terms
 
Molecular Function GO:0035639 GO:0032559 GO:0017111 GO:0032550
GO-Score 0.47 0.47 0.47 0.47
Biological Processes GO:0040007 GO:0051234
GO-Score 0.68 0.36
Cellular Component GO:0005576
GO-Score 0.68

(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.