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I-TASSER results for job id Rv2024c

[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
10.29 10 2w74B ATP Rep, Mult 166,167,168,169,172,196,197,198,199,200,201,202
20.12 4 4bebB MG Rep, Mult 200,201,323,324
30.06 2 3jv2B III Rep, Mult 176,202,205,207,209,210
40.03 1 2xb2X III Rep, Mult 193,194,199,204,207,392,393

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
10.0602hyiI0.4314.410.1480.5283.6.4.13198,201,233
20.0603kx2B0.4434.660.0840.5553.6.4.13224
30.0601uaaA0.3954.640.0740.4893.6.4.12NA
40.0601z0hB0.2557.180.0390.4063.4.24.69338
50.0602gtqA0.3817.530.0360.6333.4.11.2NA
60.0602wwyA0.4154.730.1210.5303.6.4.12226
70.0601t3tA0.3717.310.0560.6006.3.5.3NA
80.0601clqA0.3667.760.0560.6252.7.7.7190
90.0602jlzB0.3683.900.1450.4353.4.21.91220,222,359
100.0602vuaA0.2507.090.0430.3923.4.24.69NA
110.0603i62A0.4654.830.1140.5833.6.4.13173,198,201
120.0603iayA0.3677.780.0430.6252.7.7.7205
130.0602epoB0.3727.250.0530.6003.2.1.52323,324
140.0602is4B0.3895.700.0700.5383.6.1.-NA
150.0601hv8A0.3864.950.1150.4973.6.4.13201,230
160.0602olsA0.3677.060.0900.5792.7.9.2NA
170.0603crvA0.4284.440.0930.5303.6.4.12199,207
180.0603l9oA0.4014.690.0890.4993.6.4.13195,200,231,324,326,361
190.0602dqmA0.3797.990.0340.6603.4.11.2NA

(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
00.250.4435.190.090.573mwyW GO:0000124 GO:0000166 GO:0000182 GO:0000790 GO:0001178 GO:0003677 GO:0004386 GO:0005524 GO:0005634 GO:0006351 GO:0006355 GO:0006363 GO:0006368 GO:0006369 GO:0008094 GO:0016568 GO:0016584 GO:0016787 GO:0030874 GO:0031490 GO:0034728 GO:0035064 GO:0042766 GO:0043044 GO:0044212 GO:0046695 GO:0060303 GO:0070615 GO:0071441 GO:0071894 GO:1900050 GO:1902275 GO:2000104 GO:2000616
10.210.4493.990.380.535ffjB GO:0000166 GO:0003676 GO:0003677 GO:0004518 GO:0004519 GO:0005524 GO:0006306 GO:0008168 GO:0008170 GO:0016787 GO:0032259 GO:0090305
20.180.2777.720.040.461t5lA GO:0000166 GO:0003677 GO:0004386 GO:0004518 GO:0005524 GO:0005737 GO:0006281 GO:0006289 GO:0006974 GO:0009381 GO:0009432 GO:0016787 GO:0090305
30.170.4415.040.150.571wp9A GO:0000166 GO:0003676 GO:0003677 GO:0004386 GO:0004518 GO:0005524 GO:0006259 GO:0006281 GO:0046872 GO:0090305
40.160.3904.980.090.503tbkA GO:0000166 GO:0002230 GO:0002376 GO:0003677 GO:0003690 GO:0003723 GO:0003725 GO:0003727 GO:0004386 GO:0005524 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005923 GO:0008270 GO:0009597 GO:0009615 GO:0010628 GO:0015629 GO:0016020 GO:0016787 GO:0016817 GO:0030054 GO:0030334 GO:0032480 GO:0032587 GO:0032725 GO:0032727 GO:0032728 GO:0032755 GO:0032757 GO:0039529 GO:0042802 GO:0042993 GO:0042995 GO:0043330 GO:0045087 GO:0045944 GO:0046872 GO:0051607
50.160.7993.220.120.904xjxB GO:0000166 GO:0003677 GO:0004519 GO:0005524 GO:0006304 GO:0009035 GO:0009307 GO:0016787 GO:0090305
60.090.4164.530.130.511c4oA GO:0000166 GO:0003677 GO:0004386 GO:0004518 GO:0005524 GO:0005737 GO:0006281 GO:0006289 GO:0006974 GO:0009381 GO:0009432 GO:0016787 GO:0090305
70.070.4773.900.180.563h1tA GO:0000166 GO:0003677 GO:0003824 GO:0005524 GO:0006304 GO:0016787
80.070.4595.180.070.592wjyA GO:0000166 GO:0000184 GO:0000294 GO:0000723 GO:0000784 GO:0000785 GO:0000932 GO:0000956 GO:0003677 GO:0003682 GO:0003723 GO:0004004 GO:0004386 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0006260 GO:0006281 GO:0006406 GO:0006449 GO:0008270 GO:0009048 GO:0016787 GO:0032201 GO:0035145 GO:0042162 GO:0044530 GO:0044822 GO:0046872 GO:0061014 GO:0061158 GO:0071044 GO:0071222 GO:0071347
90.070.4584.570.100.565f9fI GO:0000166 GO:0002230 GO:0002376 GO:0003676 GO:0003690 GO:0003723 GO:0003725 GO:0003727 GO:0004386 GO:0005524 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005923 GO:0008270 GO:0009597 GO:0009615 GO:0010628 GO:0015629 GO:0016020 GO:0016032 GO:0016787 GO:0016817 GO:0030054 GO:0030334 GO:0032480 GO:0032587 GO:0032725 GO:0032727 GO:0032728 GO:0032755 GO:0032757 GO:0034344 GO:0039528 GO:0039529 GO:0042802 GO:0042993 GO:0042995 GO:0043330 GO:0045087 GO:0045944 GO:0046872 GO:0051091 GO:0051607
100.070.4664.390.100.565f9hG GO:0000166 GO:0002230 GO:0002376 GO:0003676 GO:0003690 GO:0003723 GO:0003725 GO:0003727 GO:0004386 GO:0005524 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005923 GO:0008270 GO:0009597 GO:0009615 GO:0010628 GO:0015629 GO:0016020 GO:0016032 GO:0016787 GO:0016817 GO:0030054 GO:0030334 GO:0032480 GO:0032587 GO:0032725 GO:0032727 GO:0032728 GO:0032755 GO:0032757 GO:0034344 GO:0039528 GO:0039529 GO:0042802 GO:0042993 GO:0042995 GO:0043330 GO:0045087 GO:0045944 GO:0046872 GO:0051091 GO:0051607
110.070.4574.550.100.564a36A GO:0000166 GO:0003677 GO:0005524 GO:0005737 GO:0016787 GO:0016817 GO:0046872
120.060.4364.990.110.562ykgA GO:0000166 GO:0002230 GO:0002376 GO:0003676 GO:0003690 GO:0003723 GO:0003725 GO:0003727 GO:0004386 GO:0005524 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005923 GO:0008270 GO:0009597 GO:0009615 GO:0010628 GO:0015629 GO:0016020 GO:0016032 GO:0016787 GO:0016817 GO:0030054 GO:0030334 GO:0032480 GO:0032587 GO:0032725 GO:0032727 GO:0032728 GO:0032755 GO:0032757 GO:0034344 GO:0039528 GO:0039529 GO:0042802 GO:0042993 GO:0042995 GO:0043330 GO:0045087 GO:0045944 GO:0046872 GO:0051091 GO:0051607
130.060.4375.400.060.582xzlA GO:0000166 GO:0000184 GO:0000956 GO:0003677 GO:0004004 GO:0004386 GO:0005524 GO:0005634 GO:0005737 GO:0005739 GO:0005844 GO:0006310 GO:0006449 GO:0006452 GO:0008270 GO:0008298 GO:0016567 GO:0016787 GO:0016887 GO:0030466 GO:0043024 GO:0046872 GO:0070478
140.060.4055.710.130.542d7dA GO:0000166 GO:0003677 GO:0004386 GO:0004518 GO:0005524 GO:0005737 GO:0006281 GO:0006289 GO:0006974 GO:0009381 GO:0009432 GO:0016787 GO:0090305
150.060.4125.140.080.534a2wA GO:0000166 GO:0003677 GO:0005524 GO:0005737 GO:0016787 GO:0016817 GO:0046872
160.060.3964.860.140.504kbfA GO:0000166 GO:0003676 GO:0004386 GO:0005524 GO:0016787
170.060.3177.570.030.535ffjA GO:0000166 GO:0003676 GO:0003677 GO:0004518 GO:0004519 GO:0005524 GO:0006306 GO:0008168 GO:0008170 GO:0016787 GO:0032259 GO:0090305
180.060.4284.440.090.533crvA GO:0000166 GO:0003676 GO:0003677 GO:0004003 GO:0004386 GO:0005524 GO:0006139 GO:0006281 GO:0006351 GO:0006974 GO:0008026 GO:0016787 GO:0016818 GO:0032508 GO:0043139 GO:0046872 GO:0051536 GO:0051539


Consensus prediction of GO terms
 
Molecular Function GO:0005524 GO:0004386 GO:0043566 GO:0000975 GO:0042623 GO:0042393 GO:1990837 GO:0003682 GO:0016741 GO:0004520 GO:0003723 GO:0046914
GO-Score 0.66 0.57 0.51 0.51 0.51 0.51 0.51 0.51 0.41 0.36 0.32 0.32
Biological Processes GO:0006353 GO:0001174 GO:0060260 GO:0065008 GO:0090329 GO:0035067 GO:1900049 GO:0033523 GO:0071440 GO:2000615 GO:0006360 GO:0006354 GO:0008156 GO:0031497 GO:0090305 GO:0006305 GO:0043414 GO:0044728 GO:0031668 GO:0006281 GO:0001818 GO:0032675 GO:0039528 GO:2000145 GO:0032647 GO:0042307 GO:0032677 GO:0016477 GO:0042990 GO:0043331 GO:0045893 GO:0032645 GO:0050691 GO:0032481 GO:0032648
GO-Score 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.46 0.41 0.41 0.41 0.36 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32
Cellular Component GO:0070461 GO:0000790 GO:0044452 GO:0043296 GO:0001726 GO:0031256 GO:0005856 GO:0070160 GO:0044444 GO:0031253
GO-Score 0.51 0.51 0.51 0.32 0.32 0.32 0.32 0.32 0.32 0.32

(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.