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I-TASSER results for job id Rv0421c

[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 3 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
10.59 50 1a8uA BEZ Rep, Mult 26,27,97,98,99,124,156,183
20.06 5 5ct6A BM0 Rep, Mult 26,27,28,29,33,97,98,183,184
30.02 2 1iup0 III Rep, Mult 145,152,166,171,172,173,174,175,176,177,178,179,180,191,194,195,198,204
40.01 1 3muoA ZPR Rep, Mult 23,50,95,97,98,122,183,196,200
50.01 1 3pfcA NA Rep, Mult 105,118,120

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
10.3573cn7A0.7412.550.1360.8613.1.1.198,154,183
20.3501auoA0.7642.510.1710.8803.1.1.198,154,183
30.3261dinA0.7603.080.1860.9433.1.1.45154,183
40.3201i6wB0.6642.810.1560.7853.1.1.398,154,183
50.2862h1iA0.7103.180.1450.8713.1.1.132,36,98,124,185
60.2833esbA0.6273.650.1560.7993.1.1.7498,154,183
70.2813gbsA0.6043.490.1240.7613.1.1.7498,154,183
80.2603dcnA0.6083.690.1380.7753.1.1.7498,154,183
90.1291va4A0.8122.130.1790.9093.1.1.298
100.1223bf7A0.7812.580.1790.9093.1.-.-NA
110.1171fj2A0.7662.930.1540.9193.1.4.39NA
120.1141j1iA0.8002.590.1440.9283.7.1.898
130.0661cb7A0.4633.640.0860.6125.4.99.181
140.0602ocgA0.8132.220.1550.9233.1.-.-98,100,154,183
150.0602c7bA0.8102.490.1590.9333.1.1.1NA
160.0601zoiA0.8112.220.1410.9143.1.1.-98,154,183
170.0601mt3A0.8232.250.1790.9333.4.11.5NA
180.0601cqzB0.7862.700.1140.9233.3.2.10,3.3.2.3NA
190.0601iunB0.8082.530.1220.9383.7.1.9NA
200.0601a8qA0.8151.940.1590.9041.11.1.1098,183
210.0601zd3A0.7982.760.1170.9433.3.2.10NA
220.0602b4kA0.7942.900.1320.9713.1.1.43154,183
230.0601e5tA0.7963.220.1110.9903.4.21.26NA
240.0601a88A0.8162.170.1680.9141.11.1.10154,183
250.0601hlgB0.8402.780.1150.9953.1.1.3NA
260.0602jbwD0.8112.630.1580.9623.7.1.-98,183
270.0603e3aB0.8082.400.1390.9281.11.1.-7,26,28
280.0601k8qA0.8352.750.1060.9903.1.1.3NA
290.0602pl5A0.7923.100.1190.9622.3.1.31NA
300.0601cpyA0.7923.100.0830.9713.4.16.5NA
310.0603nwoA0.8352.340.1150.9573.4.11.526,158
320.0601a8sA0.8142.030.1690.9041.11.1.1098,122,154,183

(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
00.450.8811.610.140.942fukA GO:0016787
10.390.8682.180.160.983hjuA GO:0004622 GO:0005654 GO:0005737 GO:0005789 GO:0005829 GO:0005886 GO:0006629 GO:0006631 GO:0006633 GO:0006954 GO:0009966 GO:0016020 GO:0016042 GO:0016787 GO:0019369 GO:0019433 GO:0019898 GO:0036155 GO:0042803 GO:0046464 GO:0047372 GO:0050727 GO:0051930 GO:0052689 GO:2000124
20.370.8602.050.150.963pf8A GO:0016787
30.310.7982.740.140.954wy5A GO:0008152 GO:0016787 GO:0052689
40.300.8382.130.180.944qesA GO:0003723 GO:0003824 GO:0004601 GO:0005198 GO:0005576 GO:0005654 GO:0005829 GO:0005886 GO:0016020 GO:0016032 GO:0016491 GO:0017000 GO:0019012 GO:0019061 GO:0019062 GO:0019064 GO:0019065 GO:0019068 GO:0019070 GO:0019072 GO:0019076 GO:0019083 GO:0030666 GO:0030683 GO:0031904 GO:0039573 GO:0039660 GO:0042025 GO:0046761 GO:0055036 GO:0055114 GO:0075733 GO:0098869
50.270.7692.800.170.904fhzA GO:0016787
60.270.7562.810.140.911imjA GO:0005634 GO:0005730 GO:0005737 GO:0005829 GO:0016787 GO:0045944 GO:0050427 GO:0070062
70.240.8492.530.160.993o4jC GO:0005737 GO:0006508 GO:0008236 GO:0016787
80.210.8920.870.180.913trdA GO:0016787
90.210.8002.590.140.931j1iA GO:0016787
100.210.8731.790.140.942i3dB GO:0016787
110.190.8911.870.160.982wtmA
120.190.8352.340.120.963nwoA GO:0006508 GO:0008233 GO:0016787
130.190.8082.240.160.914dgqA GO:0004601 GO:0016491 GO:0016691 GO:0055114 GO:0098869
140.190.8162.170.170.911a88A GO:0003824 GO:0004601 GO:0016491 GO:0016691 GO:0055114 GO:0098869
150.190.8142.860.180.983azoA GO:0004177 GO:0006508 GO:0008236
160.190.8122.100.150.913fobA GO:0003824 GO:0004601 GO:0009636 GO:0016491 GO:0016691 GO:0016787 GO:0019806 GO:0055114 GO:0098869
170.180.8151.940.160.901a8qA GO:0003824 GO:0004601 GO:0016491 GO:0017000 GO:0055114 GO:0098869
180.180.8122.050.170.903heaA GO:0003824 GO:0004064 GO:0004601 GO:0016491 GO:0016787 GO:0055114 GO:0098869
190.180.8292.430.150.962hdwA GO:0016787
200.180.8322.690.110.982y6vC GO:0004806 GO:0005777 GO:0005782 GO:0007031 GO:0016298 GO:0016787 GO:0019433
210.180.8112.220.140.911zoiA
220.180.8052.400.180.921hkhA GO:0003824 GO:0004601 GO:0098869
230.170.7833.020.130.964n5hX GO:0008152 GO:0016787
240.120.7993.000.130.974bzwA GO:0008152 GO:0016787 GO:0042802
250.120.8142.030.170.901a8sA GO:0003824 GO:0004601 GO:0016491 GO:0016691 GO:0055114 GO:0098869
260.110.8002.700.160.941q0rA GO:0016787 GO:0017000 GO:0052689
270.080.7983.080.130.981jkmB GO:0008152 GO:0016787


Consensus prediction of GO terms
 
Molecular Function GO:0003676 GO:0016209 GO:0016684 GO:0005198 GO:0042803 GO:0004622 GO:0047372
GO-Score 0.60 0.60 0.60 0.60 0.39 0.39 0.39
Biological Processes GO:0039663 GO:1990748 GO:0019049 GO:0046755 GO:0075528 GO:0075509 GO:0046753 GO:0050687 GO:0050690 GO:0019080 GO:0045916 GO:0016999 GO:1902583 GO:0006898 GO:0020012 GO:0032774 GO:0044650 GO:0036155 GO:2000124 GO:0019433 GO:0019369 GO:0006633 GO:0051930
GO-Score 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.39 0.39 0.39 0.39 0.39 0.39
Cellular Component GO:0033648 GO:0098588 GO:0030659 GO:0098805 GO:0044423 GO:0044440 GO:0005775 GO:0030139 GO:0005829 GO:0005886 GO:0005654 GO:0005789 GO:0019898
GO-Score 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.57 0.57 0.57 0.39 0.39

(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.