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I-TASSER results for job id Rv0312

[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
10.55 88 4czmA ANP Rep, Mult 10,11,12,13,167,168,169,170,241,244,245,309,310,311,313,314,336
20.10 19 3l4iA PO4 Rep, Mult 10,11,60,141,170
30.04 11 2nztA BG6 Rep, Mult 8,11,12,106,108,141,165,167,169,308,309,310,338,339
40.04 7 1s3xA NA Rep, Mult 165,167,170,171,172
50.02 4 4bqlB MG Rep, Mult 8,14,339
60.01 2 3l6qB MG Rep, Mult 12,13,168
70.01 3 1s3xA CA Rep, Mult 198,202,203
80.01 2 4k42B CA Rep, Mult 8,141,165,339
90.01 2 4eahG ATP Rep, Mult 8,10,11,12,14,141,165,167,168,241,244,245,309,310,313,314,335
100.01 3 1hpmA K Rep, Mult 8,10,13,336
110.00 1 3qmlA MG Rep, Mult 19,20
120.00 1 3atuA PG0 Rep, Mult 46,50,231
130.00 1 3d2fB MG Rep, Mult 154,155,156,157
140.00 1 2e88A ZN Rep, Mult 196,198
150.00 1 3d2fA MG Rep, Mult 348,349
160.00 1 5ey4A DTP Rep, Mult 24,244,245,248,310,311,313,314,334

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
10.0602vz8B0.3337.990.0860.5392.3.1.85NA
20.0601ig8A0.3615.610.1050.4792.7.1.188
30.0602uytA0.3404.610.1000.4112.7.1.5141,309
40.0601x3mA0.3335.200.1130.4292.7.2.15,2.7.2.-NA
50.0603hz6A0.3394.800.1040.4182.7.1.1710,142
60.0603flcX0.3514.630.0960.4262.7.1.3012,141,200
70.0603b8aX0.3904.760.1110.4822.7.1.1NA
80.0602d4wA0.3425.050.0920.4312.7.1.30202,310
90.0601u6zB0.3575.720.0710.4713.6.1.1110,167,195
100.0603en9A0.3335.150.0530.4233.4.24.57141
110.0601qhaA0.4646.310.0810.6352.7.1.1141
120.0602zf5Y0.3514.670.1100.4262.7.1.3010,12,141
130.0602vz9B0.3347.950.0790.5352.3.1.85NA
140.0603jvpD0.3485.190.1320.4422.7.1.1689
150.0603gbtA0.3344.920.1020.4132.7.1.12140
160.0601zc6B0.3294.440.1390.3982.7.1.59198
170.0602e2oA0.3514.080.1170.4132.7.1.1141
180.0602vz8A0.2938.260.0410.4932.3.1.85NA
190.0601hkgA0.3874.920.0950.4852.7.1.115,141,166,169,311

(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
00.250.5261.760.210.553qfuA GO:0000166 GO:0000742 GO:0005524 GO:0005783 GO:0005788 GO:0006616 GO:0006986 GO:0016887 GO:0030433 GO:0031204 GO:0034099 GO:0051082 GO:0070880
10.250.5452.530.140.581yuwA GO:0000151 GO:0000166 GO:0000974 GO:0001664 GO:0001786 GO:0005524 GO:0005615 GO:0005622 GO:0005634 GO:0005681 GO:0005730 GO:0005737 GO:0005770 GO:0005829 GO:0005886 GO:0005925 GO:0006351 GO:0006355 GO:0006397 GO:0006457 GO:0008380 GO:0016020 GO:0016887 GO:0019899 GO:0023026 GO:0030529 GO:0031072 GO:0031625 GO:0031647 GO:0042026 GO:0042470 GO:0042623 GO:0043209 GO:0044822 GO:0045892 GO:0046034 GO:0048026 GO:0051082 GO:0051085 GO:0051726 GO:0055131 GO:0061738 GO:0070062 GO:0072318 GO:0072562 GO:1902904
20.240.5152.330.200.553a8yA GO:0000151 GO:0000166 GO:0001618 GO:0001664 GO:0005102 GO:0005524 GO:0005654 GO:0005737 GO:0005814 GO:0005829 GO:0005925 GO:0010628 GO:0010941 GO:0016234 GO:0016887 GO:0019899 GO:0031072 GO:0031396 GO:0031397 GO:0031625 GO:0032757 GO:0034599 GO:0034605 GO:0042026 GO:0042623 GO:0042826 GO:0044183 GO:0046034 GO:0046718 GO:0048471 GO:0050821 GO:0051082 GO:0051092 GO:0055131 GO:0060548 GO:0070370 GO:0070434 GO:0072562 GO:0090084 GO:1900034 GO:1903265 GO:2001240
30.240.5242.090.200.553kvgB GO:0000166 GO:0005524
40.220.5444.470.180.643c7nA GO:0000166 GO:0000774 GO:0005516 GO:0005524 GO:0005737 GO:0005844 GO:0006457 GO:0042026 GO:0042277 GO:0050790
50.220.5252.010.210.553fe1B GO:0000166 GO:0005524 GO:0005737 GO:0005814 GO:0005829 GO:0006986 GO:0008180 GO:0019899 GO:0031072 GO:0034605 GO:0042026 GO:0042623 GO:0051082 GO:0070062 GO:0070370 GO:0072562
60.190.5141.860.220.544rtfD GO:0000166 GO:0005524 GO:0006457 GO:0051082
70.170.5102.250.190.544gniA GO:0000166 GO:0005524
80.160.4972.820.130.544aniC GO:0000166 GO:0005524 GO:0006457 GO:0051082
90.160.5432.690.160.584j8fA GO:0000151 GO:0000166 GO:0001618 GO:0001664 GO:0005102 GO:0005524 GO:0005654 GO:0005737 GO:0005814 GO:0005829 GO:0005925 GO:0006457 GO:0010628 GO:0010941 GO:0016234 GO:0016887 GO:0019899 GO:0019904 GO:0030544 GO:0031072 GO:0031396 GO:0031397 GO:0031625 GO:0032403 GO:0032564 GO:0032757 GO:0034599 GO:0034605 GO:0042026 GO:0042623 GO:0042802 GO:0042826 GO:0043234 GO:0044183 GO:0046034 GO:0046718 GO:0048471 GO:0050821 GO:0051082 GO:0051087 GO:0051092 GO:0051260 GO:0055131 GO:0060548 GO:0061084 GO:0070062 GO:0070370 GO:0070389 GO:0070434 GO:0072562 GO:0090084 GO:1900034 GO:1903265 GO:2001240
100.150.4453.520.130.504czmA GO:0000902
110.140.4423.540.140.501jcfA GO:0000166 GO:0000902
120.140.5221.900.200.553i33A GO:0000166 GO:0000795 GO:0001673 GO:0001934 GO:0005524 GO:0005634 GO:0005737 GO:0005739 GO:0005819 GO:0005829 GO:0005856 GO:0006986 GO:0007140 GO:0007141 GO:0007283 GO:0007286 GO:0009408 GO:0009409 GO:0009986 GO:0016020 GO:0019899 GO:0030154 GO:0031662 GO:0032781 GO:0036128 GO:0042026 GO:0043209 GO:0051082 GO:0051861 GO:0070062 GO:0070194 GO:0072562 GO:0072687 GO:0090084 GO:1901896
130.140.5181.860.230.544kboA GO:0000166 GO:0005524 GO:0005634 GO:0005730 GO:0005737 GO:0005739 GO:0005925 GO:0006457 GO:0006611 GO:0009636 GO:0017134 GO:0019899 GO:0031012 GO:0031072 GO:0031625 GO:0042645 GO:0043066 GO:0043209 GO:0044822 GO:0051082 GO:0070062 GO:0071347 GO:1902037 GO:1903707
140.140.5202.070.210.553gl1A GO:0000054 GO:0000166 GO:0002181 GO:0005516 GO:0005524 GO:0005737 GO:0005844 GO:0006364 GO:0006412 GO:0006415 GO:0006450 GO:0006452 GO:0016887 GO:0042149 GO:0051082 GO:0051083
150.130.5113.530.170.585e84A GO:0000166 GO:0001948 GO:0005509 GO:0005524 GO:0005634 GO:0005737 GO:0005739 GO:0005783 GO:0005788 GO:0005789 GO:0005790 GO:0005793 GO:0005886 GO:0005913 GO:0005925 GO:0006983 GO:0006987 GO:0008180 GO:0009986 GO:0016020 GO:0016887 GO:0019899 GO:0019904 GO:0021589 GO:0021680 GO:0021762 GO:0030176 GO:0030335 GO:0030433 GO:0030496 GO:0030512 GO:0030968 GO:0031012 GO:0031398 GO:0031625 GO:0034663 GO:0034975 GO:0034976 GO:0035437 GO:0036498 GO:0036499 GO:0036500 GO:0042149 GO:0042470 GO:0043022 GO:0043066 GO:0043209 GO:0051082 GO:0051087 GO:0051603 GO:0051787 GO:0060904 GO:0070062 GO:0071236 GO:0071287 GO:0071353 GO:0090074 GO:0098609 GO:0098641 GO:1901998 GO:1903891 GO:1903894 GO:1903897 GO:1990440
160.130.5183.540.180.584b9qA GO:0000166 GO:0005524 GO:0005737 GO:0005829 GO:0005886 GO:0006260 GO:0006457 GO:0006461 GO:0008270 GO:0009408 GO:0016020 GO:0016989 GO:0034620 GO:0043241 GO:0043531 GO:0044183 GO:0051082 GO:0051085 GO:0070389 GO:1903506
170.070.5183.510.160.583d2eA GO:0000166 GO:0000774 GO:0005516 GO:0005524 GO:0005737 GO:0005844 GO:0006457 GO:0042026 GO:0042277 GO:0050790
180.060.3453.080.130.383h1qB GO:0000166 GO:0005524


Consensus prediction of GO terms
 
Molecular Function GO:0005524 GO:0051082 GO:0005543 GO:0003723 GO:0072341 GO:0023023 GO:0004872 GO:0033218 GO:0060590 GO:0031072 GO:0042623 GO:0001664 GO:0055131 GO:0031625
GO-Score 0.74 0.57 0.49 0.49 0.49 0.49 0.48 0.43 0.43 0.43 0.43 0.43 0.43 0.43
Biological Processes GO:0042026 GO:0043161 GO:0070879 GO:0051278 GO:0000741 GO:0035966 GO:0065002 GO:0000747 GO:0051274 GO:0006614 GO:0036503 GO:0006620 GO:0010629 GO:0072319 GO:1902903 GO:1903054 GO:2000113 GO:0065008 GO:0033120 GO:0050685 GO:0006914 GO:0007049 GO:0051084 GO:0048024 GO:1903507 GO:0061077 GO:0006979 GO:0010803 GO:0001961 GO:0019058 GO:1903321 GO:0051091 GO:2001237 GO:2001239 GO:0070426 GO:0032677 GO:0010286 GO:0080135 GO:0070432 GO:0034605 GO:0090083 GO:0001819 GO:0031396 GO:0030260 GO:1901099 GO:0046034
GO-Score 0.55 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.48 0.48 0.48 0.48 0.48 0.48 0.48 0.48 0.48 0.48 0.48 0.48 0.48 0.48 0.48 0.48 0.48 0.48 0.48 0.43
Cellular Component GO:0044432 GO:0071944 GO:0048770 GO:1903561 GO:0031981 GO:0005768 GO:1990904 GO:0005813 GO:0044450 GO:0005829 GO:0000151 GO:0005925 GO:0072562
GO-Score 0.50 0.49 0.49 0.49 0.49 0.49 0.49 0.48 0.48 0.43 0.43 0.43 0.43

(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.