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I-TASSER results for job id Rv3921c

[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
10.07 4 3fu3A IMD Rep, Mult 204,207,208,211,256,259,260,263
20.04 2 3a0bF MGE Rep, Mult 55,69,70
30.04 2 4kt0B CLA Rep, Mult 125,129
40.04 2 2xsjC UUU Rep, Mult 108,109
50.04 2 2hitH PEV Rep, Mult 259,269
60.04 2 1ocoO HEA Rep, Mult 69,107,109
70.04 2 3fuhA 5H1 Rep, Mult 200,203,246,249,253,258
80.02 1 3l22A ZN Rep, Mult 86,93
90.02 1 5a43B DMU Rep, Mult 20,28
100.02 1 2r9rB PGW Rep, Mult 48,63
110.02 1 3dtuB DMU Rep, Mult 74,82
120.02 1 4hw3F 19G Rep, Mult 13,47,51,54,55,111,114,115,118,262
130.02 1 1s5lk CLA Rep, Mult 111,118
140.02 1 3prqX CLA Rep, Mult 113,120
150.02 1 3arch CLA Rep, Mult 118,121,122
160.02 1 3br0A IMD Rep, Mult 80,83
170.02 1 1ugiE IMD Rep, Mult 102,104
180.02 1 3fu5A IMD Rep, Mult 48,51,261,262,265

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
10.0601aorB0.3536.890.0550.5931.2.7.5199
20.0601n1hA0.3646.700.0520.6092.7.7.48211,212
30.0602pflA0.3796.720.0610.6422.3.1.54251
40.0605acnA0.3027.390.0370.5414.2.1.3NA
50.0602jg0A0.3606.850.0520.6093.2.1.28NA
60.0601ayxA0.3676.250.0290.5773.2.1.3222
70.0601a0dA0.3596.210.0760.5745.3.1.5NA
80.0601ut9A0.3646.240.0390.5713.2.1.4NA
90.0602f6dA0.3686.160.0260.5743.2.1.3NA
100.0603ebgA0.3686.310.0520.5853.4.11.-NA
110.0602vn4A0.3686.450.0480.5873.2.1.3NA
120.0601ygeA0.3556.700.0400.5961.13.11.12NA
130.0601dgjA0.3656.740.0320.5961.2.-.-NA
140.0602qnoA0.3856.330.0430.6153.2.1.443
150.0602ow6A0.3636.780.0720.6073.2.1.114NA
160.0601h19A0.3856.170.0440.6013.3.2.6105
170.0602vn7A0.3676.410.0550.5853.2.1.3NA
180.0602iukA0.3606.450.0640.5821.13.11.12NA
190.0601l1lA0.3756.670.0380.6121.17.4.2NA

(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
00.060.3646.830.040.614m1mA 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
10.060.3776.960.070.652iw3B 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
20.060.3317.290.060.582vf8B 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
30.060.3047.040.030.522r6fB 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
40.060.3267.190.040.583zqjF 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
50.060.2887.540.070.533fxgA GO:0003824 GO:0008152 GO:0046872
60.060.3136.710.080.522vf7B 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
70.060.2797.450.030.514crmP 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
80.060.3025.380.030.424ry2A GO:0005524 GO:0006508 GO:0006810 GO:0008233 GO:0008234 GO:0016020 GO:0016021 GO:0016887 GO:0022885 GO:0042626 GO:0043213 GO:0055085
90.060.3376.870.020.564f4cA GO:0000166 GO:0005524 GO:0006810 GO:0006855 GO:0008559 GO:0010038 GO:0015562 GO:0016020 GO:0016021 GO:0016324 GO:0016787 GO:0016887 GO:0042626 GO:0042908 GO:0045087 GO:0050829 GO:0055085 GO:0093002
100.060.3167.150.070.552r6fA 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
110.060.3706.850.050.623zqjA 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
120.060.2947.100.040.513j5sD GO:0000049 GO:0000166 GO:0003723 GO:0005524 GO:0005737 GO:0006412 GO:0006417 GO:0016887 GO:0019843 GO:0043022 GO:0045900
130.060.3077.040.050.543ozxB GO:0000054 GO:0000166 GO:0005506 GO:0005524 GO:0005623 GO:0005852 GO:0006413 GO:0006415 GO:0016887 GO:0043024
140.060.2915.510.020.424pl0B GO:0000166 GO:0005524 GO:0005886 GO:0006810 GO:0015031 GO:0016020 GO:0016021 GO:0016887 GO:0030153 GO:0042626 GO:0043213 GO:0055085
150.060.2895.870.030.434ayxA GO:0000166 GO:0005215 GO:0005524 GO:0005739 GO:0005743 GO:0006810 GO:0016020 GO:0016021 GO:0016887 GO:0032592 GO:0042626 GO:0042803 GO:0055085
160.060.2926.870.050.495da9A GO:0000723 GO:0005089 GO:0005524 GO:0005634 GO:0006281 GO:0016887 GO:0030870 GO:0035023 GO:0043547
170.060.2955.110.030.413wmgA GO:0000166 GO:0005524 GO:0006810 GO:0016020 GO:0016021 GO:0016887 GO:0042626 GO:0055085
180.060.2767.020.050.474yerA GO:0000166 GO:0005524 GO:0016887 GO:0043215 GO:1900753


Consensus prediction of GO terms
 
Molecular Function GO:0032550 GO:0017111 GO:0035639 GO:0032559 GO:0004520 GO:0003676 GO:0043169
GO-Score 0.56 0.56 0.56 0.56 0.36 0.36 0.36
Biological Processes GO:0033554 GO:0006259
GO-Score 0.36 0.36
Cellular Component GO:0044424 GO:1990391 GO:1902494
GO-Score 0.46 0.36 0.36

(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.