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I-TASSER results for job id Rv0862c

[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 4 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 3jcuH CLA Rep, Mult 329,336
20.02 1 2z6iB CA Rep, Mult 285,288
30.02 1 1s5lk CLA Rep, Mult 321,327
40.02 1 1s0bA CA Rep, Mult 583,586,593
50.02 1 3aalA ZN Rep, Mult 525,558,563
60.02 1 1f31A UUU Rep, Mult 538,611,613,614
70.02 1 1dj5A HGU Rep, Mult 341,342
80.02 1 1h65B GDP Rep, Mult 516,517,549
90.02 1 1y10D CA Rep, Mult 431,575
100.02 1 2bsqH NUC Rep, Mult 515,517
110.02 1 3cmvB ANP Rep, Mult 520,521,525,526,527,528
120.02 1 2ehtA ZN Rep, Mult 557,558
130.02 1 4q1qB 289 Rep, Mult 606,607
140.02 1 3e5sB CA Rep, Mult 484,517,528
150.02 1 3wmoP BCL Rep, Mult 344,345
160.02 1 2fhfA CA Rep, Mult 563,577,579,582,585
170.02 1 3c6hB MG Rep, Mult 484,579
180.02 1 1i1eA DM2 Rep, Mult 538,573,607,608,614
190.02 1 3lotA UNL Rep, Mult 516,567,578,579
200.02 1 1r3nF BIB Rep, Mult 412,530

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
10.0603cmmC0.3008.500.0460.4846.3.2.19NA
20.0602np0A0.3128.580.0380.5083.4.24.69NA
30.0602vz8A0.3068.500.0500.5002.3.1.85NA
40.0602vz8B0.2788.430.0530.4472.3.1.85NA
50.0601ffyA0.2938.840.0530.4926.1.1.5NA
60.0602vkzG0.2608.540.0330.4192.3.1.38,3.1.2.14NA
70.0602jgdA0.2998.390.0530.4851.2.4.2NA
80.0602vumA0.2888.490.0290.4632.7.7.6NA
90.0602fhbA0.3288.510.0390.5293.2.1.41NA
100.0601ej6A0.2878.830.0500.4772.7.7.50NA
110.0602fhcA0.3158.810.0640.5283.2.1.41242
120.0602vdcF0.2959.000.0270.5081.4.1.13265
130.0601ug9A0.3088.660.0450.5043.2.1.70NA
140.0602uv8G0.2608.560.0280.4212.3.1.86NA
150.0602e9bA0.2848.560.0430.4683.2.1.41NA
160.0602vz9B0.2978.530.0370.4832.3.1.85NA
170.0603k1dA0.2808.230.0460.4412.4.1.18484
180.0602wanA0.2828.990.0420.4803.2.1.41433
190.0601jqnA0.2867.700.0750.4324.1.1.31NA

(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
00.110.6814.550.090.804bs9A GO:0046872
10.080.6584.980.100.804v1tB GO:0000166 GO:0046872
20.060.3698.020.040.571hn0A GO:0003824 GO:0005576 GO:0005975 GO:0016829 GO:0016837 GO:0030246 GO:0034000 GO:0042597 GO:0046872
30.060.3588.480.050.582q1fA GO:0000287 GO:0003824 GO:0005509 GO:0005576 GO:0005975 GO:0006027 GO:0016829 GO:0016837 GO:0030200 GO:0030209 GO:0030246 GO:0034000 GO:0034001 GO:0042597 GO:0046872 GO:0047488 GO:0052809
40.060.2598.850.040.434ejxA GO:0001889 GO:0004322 GO:0005507 GO:0005576 GO:0005615 GO:0005765 GO:0006810 GO:0006811 GO:0006825 GO:0006879 GO:0007568 GO:0007584 GO:0016491 GO:0030324 GO:0046658 GO:0046688 GO:0046872 GO:0051087 GO:0055114 GO:0070062 GO:0072562
50.060.2698.230.060.421rw9A GO:0003824 GO:0005576 GO:0005975 GO:0016829 GO:0016837 GO:0030246
60.060.2828.230.040.451f1sA GO:0003824 GO:0005576 GO:0005975 GO:0016829 GO:0016837 GO:0030246 GO:0030340
70.060.3548.390.040.574bxsV GO:0004252 GO:0005507 GO:0005576 GO:0006508 GO:0007596 GO:0010952 GO:0016504 GO:0035807 GO:0044469 GO:0046872
80.060.2625.620.100.343h5aC GO:0000166 GO:0005524 GO:0008641 GO:0046872
90.060.2528.240.050.403cdzA GO:0000139 GO:0002576 GO:0005507 GO:0005576 GO:0005615 GO:0005788 GO:0005886 GO:0006888 GO:0006953 GO:0007596 GO:0007597 GO:0007599 GO:0016491 GO:0030134 GO:0030168 GO:0031093 GO:0033116 GO:0046872 GO:0048208 GO:0055114
100.060.2597.840.040.401cb8A GO:0003824 GO:0005576 GO:0005975 GO:0016829 GO:0016837 GO:0030246 GO:0030341 GO:0046872
110.060.2758.300.030.442e22A GO:0003824 GO:0005509 GO:0005537 GO:0005576 GO:0005615 GO:0005975 GO:0005976 GO:0016829 GO:0016837 GO:0030246 GO:0046872 GO:0047492
120.060.2458.130.040.382r7eB GO:0000139 GO:0002576 GO:0005507 GO:0005576 GO:0005615 GO:0005788 GO:0005886 GO:0006888 GO:0006953 GO:0007596 GO:0007597 GO:0007599 GO:0016491 GO:0030134 GO:0030168 GO:0031093 GO:0033116 GO:0046872 GO:0048208 GO:0055114
130.060.2058.120.040.321sddB GO:0005507 GO:0005576 GO:0007596 GO:0007599 GO:0030168 GO:0046872
140.060.2618.500.050.432r7eA GO:0000139 GO:0002576 GO:0005507 GO:0005576 GO:0005615 GO:0005788 GO:0005886 GO:0006888 GO:0006953 GO:0007596 GO:0007597 GO:0007599 GO:0016491 GO:0030134 GO:0030168 GO:0031093 GO:0033116 GO:0046872 GO:0048208 GO:0055114
150.060.2108.300.050.342qqlA GO:0001525 GO:0001938 GO:0002116 GO:0004872 GO:0005021 GO:0005576 GO:0005886 GO:0007155 GO:0007275 GO:0007399 GO:0007411 GO:0008201 GO:0010595 GO:0016020 GO:0016021 GO:0017154 GO:0019838 GO:0019955 GO:0021675 GO:0030154 GO:0038084 GO:0046872 GO:0048010 GO:0048846 GO:0061549 GO:0097490 GO:0097491 GO:1902285
160.060.2327.740.050.364gz9A GO:0001525 GO:0001569 GO:0001764 GO:0002040 GO:0002042 GO:0005021 GO:0005615 GO:0005769 GO:0005829 GO:0005883 GO:0005886 GO:0005925 GO:0007275 GO:0007399 GO:0007411 GO:0007413 GO:0007507 GO:0008045 GO:0008201 GO:0009611 GO:0009887 GO:0009986 GO:0016020 GO:0016021 GO:0016358 GO:0016477 GO:0017154 GO:0019838 GO:0021612 GO:0021636 GO:0021637 GO:0021649 GO:0021675 GO:0021785 GO:0021828 GO:0030154 GO:0030424 GO:0030426 GO:0030517 GO:0031290 GO:0035729 GO:0035767 GO:0035924 GO:0036486 GO:0038084 GO:0038085 GO:0038190 GO:0043025 GO:0043524 GO:0046872 GO:0048008 GO:0048010 GO:0048012 GO:0048485 GO:0048666 GO:0048841 GO:0048842 GO:0048843 GO:0048844 GO:0048846 GO:0050731 GO:0050918 GO:0060385 GO:0060666 GO:0060978 GO:0060980 GO:0060982 GO:0061299 GO:0061441 GO:0061549 GO:0061551 GO:0070374 GO:0071526 GO:0071679 GO:0090259 GO:0097374 GO:0097443 GO:0097490 GO:0097491 GO:1901166 GO:1901998 GO:1902285 GO:1902287 GO:1902336 GO:1902378 GO:1902946 GO:1903375 GO:1904835 GO:1905040 GO:2001237
170.060.2447.780.030.384bdvB GO:0000139 GO:0002576 GO:0005507 GO:0005576 GO:0005615 GO:0005788 GO:0005886 GO:0006888 GO:0006953 GO:0007596 GO:0007597 GO:0007599 GO:0016491 GO:0030134 GO:0030168 GO:0031093 GO:0033116 GO:0046872 GO:0048208 GO:0055114
180.060.2685.950.070.354q86B GO:0000287 GO:0005829 GO:0018339 GO:0047693


Consensus prediction of GO terms
 
Molecular Function GO:0046872
GO-Score 0.33
Biological Processes GO:0005975 GO:0030200 GO:0030209 GO:0006879 GO:0007584 GO:0055114 GO:0030324 GO:0007568 GO:0006825 GO:0046688 GO:0001889
GO-Score 0.12 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06
Cellular Component GO:0042597 GO:0005765 GO:0072562 GO:0070062 GO:0046658
GO-Score 0.12 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.