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I-TASSER results for job id Rv3835

[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
10.06 3 4dmzA MG Rep, Mult 281,285
20.06 3 4ap9C 1PS Rep, Mult 285,286,287
30.04 2 2c9sA ZN Rep, Mult 317,318
40.04 2 1kqrA MNA Rep, Mult 235,258,276,280,281
50.02 1 2c5rF NUC Rep, Mult 295,301
60.02 1 3zvwC MG Rep, Mult 398,399
70.02 1 1y77I ZN Rep, Mult 158,198,247,251
80.02 1 1focA HEM Rep, Mult 100,116
90.02 1 2ecwA ZN Rep, Mult 116,120,198,230
100.02 1 3mcoA MG Rep, Mult 218,220
110.02 1 3cmvB ANP Rep, Mult 255,256,257,258,270
120.02 1 3qsvA ZN Rep, Mult 198,230,247,251
130.02 1 2g02A ZN Rep, Mult 100,116,120
140.02 1 3r6nB D1D Rep, Mult 260,262,270,271
150.02 1 2vl1C III Rep, Mult 183,185,207
160.02 1 5cjnA MG Rep, Mult 84,85
170.02 1 4cinB CA Rep, Mult 277,281
180.02 1 3ojyB BMA Rep, Mult 313,318

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
10.0601ynnD0.2457.490.0340.4122.7.7.6NA
20.0601mo7A0.1076.180.0480.1603.6.3.9194,220
30.0602e1rA0.2237.320.0200.3723.6.5.3118
40.0601z1wA0.2036.400.0210.3053.4.11.-NA
50.0602vumA0.2577.070.0320.4162.7.7.6NA
60.0601w36C0.2307.820.0220.4033.1.11.5NA
70.0603b8eA0.1777.750.0150.3123.6.3.9NA
80.0601ug9A0.2207.240.0320.3673.2.1.70NA
90.0601kfxL0.2137.670.0600.3743.4.22.53NA
100.0603gm8A0.2346.110.0180.3453.2.1.-NA
110.0603b43A0.2626.420.0630.4052.7.11.1362
120.0602uv8G0.2647.070.0470.4282.3.1.86NA
130.0603dnyT0.2237.210.0310.3743.6.5.3NA
140.0602vkzG0.2617.030.0340.4212.3.1.38,3.1.2.14NA
150.0602nqaB0.1155.630.0260.1633.4.22.53,3.4.22.52NA
160.0602pmzQ0.2547.250.0260.4212.7.7.6NA
170.0601yq2A0.2286.970.0310.3673.2.1.23159
180.0602cseW0.2337.390.0160.3923.6.4.13NA
190.0603eqlD0.2506.990.0140.3992.7.7.6377,383,417

(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
00.160.7873.080.090.891w0rA GO:0002376 GO:0005576 GO:0005615 GO:0005788 GO:0006955 GO:0006956 GO:0006957 GO:0030449 GO:0031012 GO:0036066 GO:0042742 GO:0045087
10.060.2507.420.050.423t5oA GO:0001701 GO:0001970 GO:0002376 GO:0005576 GO:0005579 GO:0006955 GO:0006956 GO:0006958 GO:0019835 GO:0030449 GO:0045087 GO:0045766 GO:0045917 GO:0070062
20.060.2397.500.030.414a5wB GO:0001701 GO:0001970 GO:0002376 GO:0005576 GO:0005579 GO:0006955 GO:0006956 GO:0006958 GO:0019835 GO:0030449 GO:0045087 GO:0045766 GO:0045917 GO:0070062
30.060.2457.260.050.414e0sB GO:0001701 GO:0001970 GO:0002376 GO:0005576 GO:0005579 GO:0006955 GO:0006956 GO:0006958 GO:0019835 GO:0030449 GO:0045087 GO:0045766 GO:0045917 GO:0070062
40.060.2073.760.080.253r6bA GO:0000187 GO:0001666 GO:0001786 GO:0001937 GO:0001948 GO:0001953 GO:0001968 GO:0002040 GO:0002544 GO:0002576 GO:0002581 GO:0002605 GO:0005178 GO:0005509 GO:0005576 GO:0005577 GO:0005615 GO:0005783 GO:0005788 GO:0006954 GO:0006955 GO:0006986 GO:0007050 GO:0007155 GO:0008201 GO:0009749 GO:0009897 GO:0009986 GO:0010595 GO:0010596 GO:0010748 GO:0010751 GO:0010754 GO:0010757 GO:0010759 GO:0010763 GO:0016477 GO:0016525 GO:0016529 GO:0017134 GO:0018149 GO:0030141 GO:0030169 GO:0030194 GO:0030198 GO:0030335 GO:0030511 GO:0030823 GO:0031012 GO:0031091 GO:0031093 GO:0032026 GO:0032570 GO:0032695 GO:0032914 GO:0034605 GO:0034976 GO:0036066 GO:0040037 GO:0042327 GO:0042493 GO:0042535 GO:0042802 GO:0043032 GO:0043066 GO:0043154 GO:0043236 GO:0043394 GO:0043536 GO:0043537 GO:0043652 GO:0045727 GO:0045766 GO:0048266 GO:0050431 GO:0050840 GO:0050921 GO:0051592 GO:0051895 GO:0051897 GO:0051918 GO:0070051 GO:0070052 GO:0070062 GO:1902043 GO:2000353 GO:2000379 GO:2001027 GO:2001237
50.060.1995.670.030.284v2aA GO:0005886 GO:0006915 GO:0007165 GO:0007275 GO:0007411 GO:0016020 GO:0016021 GO:0031175 GO:0031226 GO:0032589 GO:0032809 GO:0033564 GO:0038007 GO:0042995 GO:0045121
60.060.1816.630.040.295fttA GO:0005886 GO:0006915 GO:0007165 GO:0007275 GO:0007411 GO:0009986 GO:0016020 GO:0016021 GO:0021859 GO:0098609 GO:2001222
70.060.1596.300.030.244hqoB GO:0016020 GO:0016021 GO:0046872
80.060.1477.490.020.255foeB GO:0000187 GO:0001666 GO:0001786 GO:0001937 GO:0001948 GO:0001953 GO:0001968 GO:0002040 GO:0002544 GO:0002576 GO:0002581 GO:0002605 GO:0005178 GO:0005509 GO:0005576 GO:0005577 GO:0005615 GO:0005783 GO:0005788 GO:0005794 GO:0005975 GO:0006004 GO:0006486 GO:0006954 GO:0006955 GO:0006986 GO:0007050 GO:0007155 GO:0008201 GO:0009749 GO:0009897 GO:0009986 GO:0010595 GO:0010596 GO:0010748 GO:0010751 GO:0010754 GO:0010757 GO:0010759 GO:0010763 GO:0016477 GO:0016525 GO:0016529 GO:0016740 GO:0016757 GO:0017134 GO:0018149 GO:0030141 GO:0030169 GO:0030194 GO:0030198 GO:0030335 GO:0030511 GO:0030823 GO:0031012 GO:0031091 GO:0031093 GO:0032026 GO:0032570 GO:0032695 GO:0032914 GO:0034605 GO:0034976 GO:0036066 GO:0040037 GO:0042327 GO:0042493 GO:0042535 GO:0042802 GO:0043032 GO:0043066 GO:0043154 GO:0043236 GO:0043394 GO:0043536 GO:0043537 GO:0043652 GO:0045727 GO:0045766 GO:0046922 GO:0048266 GO:0050431 GO:0050840 GO:0050921 GO:0051592 GO:0051895 GO:0051897 GO:0051918 GO:0070051 GO:0070052 GO:0070062 GO:1902043 GO:2000353 GO:2000379 GO:2001027 GO:2001237
90.060.1495.480.040.203vn4A GO:0004175 GO:0004222 GO:0005178 GO:0005509 GO:0005576 GO:0005578 GO:0005615 GO:0005788 GO:0006508 GO:0007160 GO:0007229 GO:0007596 GO:0007599 GO:0008233 GO:0008237 GO:0008270 GO:0009100 GO:0009636 GO:0009986 GO:0016485 GO:0016787 GO:0030168 GO:0034341 GO:0034612 GO:0036066 GO:0043171 GO:0046872 GO:0070670
100.060.1103.050.090.121vexA GO:0005576 GO:0005578 GO:0007155 GO:0046872
110.060.1025.410.040.142ifwA GO:0004190 GO:0006508 GO:0008233 GO:0016787
120.060.0913.270.040.102bbxA GO:0005886 GO:0007155 GO:0008201 GO:0016020 GO:0016021


Consensus prediction of GO terms
 
Molecular Function GO:0005178 GO:0017134 GO:0030169 GO:0050431 GO:0043236 GO:0001968 GO:0001786 GO:0043394 GO:0070051 GO:0070052 GO:0005509 GO:0008201 GO:0042802
GO-Score 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06
Biological Processes GO:0045765 GO:1904018 GO:0036065 GO:0006493 GO:0002455 GO:2000259 GO:0002922 GO:0043009 GO:0001969 GO:0010954 GO:0002699 GO:0098542 GO:0009617 GO:0045087
GO-Score 0.46 0.46 0.43 0.43 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.32 0.32 0.31
Cellular Component GO:1903561 GO:0031988 GO:0044432 GO:0070013 GO:0098797 GO:0005887 GO:0046930
GO-Score 0.46 0.46 0.43 0.43 0.35 0.35 0.35

(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.