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I-TASSER results for job id Rv0963c

[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
10.21 10 3f98A NTJ Rep, Mult 78,79,169,170,171,195,220,253,254
20.04 2 2bgrB UUU Rep, Mult 144,171,173,177,179
30.04 2 2ckiA CA Rep, Mult 220,222,225
40.04 2 2ripA UUU Rep, Mult 46,47,48,60,61,62
50.02 1 3e2vA MG Rep, Mult 169,220
60.02 1 3ue8A 09M Rep, Mult 64,124
70.02 1 2bgrA UUU Rep, Mult 191,216,242,244,245,246
80.02 1 2d0dA CL Rep, Mult 86,170,171
90.02 1 4dz4A UNK Rep, Mult 220,233
100.02 1 2bucA NDG Rep, Mult 137,139,140,178,201
110.02 1 1y10C CA Rep, Mult 123,132
120.02 1 3t5tA MG Rep, Mult 124,194
130.02 1 2bgnB UUU Rep, Mult 63,65,68,70,118
140.02 1 2g9zA MG Rep, Mult 65,67

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
10.2833cn7A0.5733.180.1140.6923.1.1.179,170,220
20.2691auoA0.5743.260.1290.6993.1.1.179,170,220
30.1853dcnA0.5313.750.1330.6693.1.1.74170,220
40.1771vkhA0.5544.090.0820.7293.5.1.9NA
50.1753esbA0.5243.840.1060.6653.1.1.74170,220
60.1581bs9A0.4893.510.0870.6023.1.1.72170,220
70.1521i6wB0.5033.080.1250.6023.1.1.3170
80.1293gbsA0.5233.480.1310.6473.1.1.74170
90.0671fj2A0.5783.480.1160.7143.1.4.3979
100.0672h1iA0.5483.460.1280.6843.1.1.1170,195
110.0671dinA0.5663.510.1090.7073.1.1.45132
120.0661jjfA0.5794.400.0950.7823.2.1.8NA
130.0601mx9D0.5894.600.0920.8043.1.1.1NA
140.0602jbwD0.6214.290.1120.8423.7.1.-170
150.0602bklB0.6394.680.0820.8873.4.21.26NA
160.0603c6bA0.5844.180.0700.7743.1.2.12NA
170.0602qr5A0.6624.110.0750.8723.4.19.1NA
180.0601hlgB0.5894.100.1070.7673.1.1.3NA
190.0601k8qA0.6014.080.1090.7783.1.1.3NA
200.0603k2iA0.6103.980.1010.8013.1.2.2221
210.0603fakA0.6374.220.1010.8383.1.1.-NA
220.0601orvA0.6454.540.0810.8833.4.14.5NA
230.0602o7rA0.6224.150.1070.8353.1.1.1NA
240.0602c7bA0.6234.080.1210.8203.1.1.1NA
250.0602gbcA0.6414.610.0810.8803.4.14.5,3.4.15.5NA
260.0602d5lA0.6384.670.1170.8833.4.14.-NA
270.0603fcxB0.5934.010.0890.7783.1.2.12NA
280.0601qz3A0.6424.300.1210.8533.1.1.1NA
290.0601gz7A0.6074.320.0910.8123.1.1.3NA
300.0601f6wA0.5884.280.0640.7933.1.1.13,3.1.1.3NA
310.0603g0bB0.6414.540.0850.8803.4.14.5122

(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
00.200.5313.750.130.673dcnA GO:0005576 GO:0008152 GO:0009405 GO:0016787 GO:0050525 GO:0052689
10.190.6443.050.130.764psdA GO:0005576 GO:0008152 GO:0016787 GO:0050525 GO:0052689
20.170.5243.840.110.673esbA GO:0005576 GO:0008152 GO:0016787 GO:0050525 GO:0052689
30.160.5853.910.100.751l7aA GO:0000272 GO:0005737 GO:0005975 GO:0016787 GO:0030245 GO:0046555 GO:0047739 GO:0052689
40.150.5363.730.100.683qitB GO:0003824 GO:0008152 GO:0016740 GO:0031177
50.150.6524.480.070.891xfdA GO:0005886 GO:0006508 GO:0008076 GO:0008236 GO:0008239 GO:0009986 GO:0015459 GO:0016020 GO:0016021 GO:0043025 GO:0043268 GO:0070062 GO:0072659 GO:1901379
60.140.4893.510.090.601bs9A GO:0000272 GO:0005576 GO:0005975 GO:0008152 GO:0016787 GO:0030245 GO:0045493 GO:0046555 GO:0052689
70.110.6614.120.060.873o4jC GO:0005737 GO:0006508 GO:0008236 GO:0016787
80.100.6524.540.090.892ecfA GO:0006508 GO:0008236
90.100.6774.140.100.903dohA GO:0002084 GO:0005737 GO:0008474 GO:0016787 GO:0052689
100.090.6514.510.090.891z68A GO:0001525 GO:0002020 GO:0004175 GO:0004222 GO:0004252 GO:0005178 GO:0005576 GO:0005615 GO:0005737 GO:0005886 GO:0005925 GO:0006508 GO:0006915 GO:0007155 GO:0008233 GO:0008236 GO:0008239 GO:0009986 GO:0010710 GO:0010716 GO:0016020 GO:0016021 GO:0016787 GO:0030027 GO:0030054 GO:0031258 GO:0032587 GO:0042803 GO:0042995 GO:0043542 GO:0045177 GO:0045178 GO:0046983 GO:0051603 GO:0051917 GO:0060244 GO:0071158 GO:0071438 GO:0071850 GO:0097325 GO:1900119 GO:1902362 GO:1903054
110.090.6694.080.100.883azoA GO:0004177 GO:0006508 GO:0008236
120.090.6394.680.080.892bklB GO:0004252 GO:0006508 GO:0008236 GO:0070008
130.090.6504.490.070.884hxgF GO:0006508 GO:0008236 GO:0046872
140.090.6414.610.080.882gbcA GO:0002020 GO:0002709 GO:0004177 GO:0004252 GO:0005102 GO:0005518 GO:0005576 GO:0005783 GO:0005794 GO:0005886 GO:0006508 GO:0007155 GO:0008233 GO:0008236 GO:0008239 GO:0008284 GO:0009986 GO:0010716 GO:0016020 GO:0016021 GO:0016324 GO:0016787 GO:0030027 GO:0030054 GO:0030139 GO:0031258 GO:0031295 GO:0042277 GO:0042803 GO:0042995 GO:0043542 GO:0045121 GO:0051234 GO:0071438
150.090.6494.390.100.884v2iA GO:0008152 GO:0016787 GO:0052689
160.080.6384.670.120.882d5lA GO:0004177 GO:0006508 GO:0008233 GO:0008236 GO:0016787
170.080.6424.750.070.893munA GO:0004252 GO:0006508 GO:0008236 GO:0070008
180.080.6484.700.080.904amyA GO:0004252 GO:0005737 GO:0006508 GO:0008233 GO:0008236 GO:0016787 GO:0070008
190.080.6364.670.090.884q1vA GO:0006508 GO:0008236 GO:0016787 GO:0046872
200.080.6594.560.100.904wjlB GO:0005886 GO:0006508 GO:0008236 GO:0008239 GO:0015459 GO:0016020 GO:0016021 GO:0072659 GO:0090004 GO:1901379
210.070.6424.460.090.882aj8A GO:0001618 GO:0001662 GO:0001666 GO:0002020 GO:0004177 GO:0004252 GO:0005102 GO:0005576 GO:0005765 GO:0005886 GO:0005925 GO:0006508 GO:0007155 GO:0008233 GO:0008236 GO:0008239 GO:0008284 GO:0009986 GO:0010716 GO:0016020 GO:0016021 GO:0016324 GO:0016787 GO:0030027 GO:0030054 GO:0030139 GO:0031258 GO:0031295 GO:0033632 GO:0035641 GO:0036343 GO:0042110 GO:0042802 GO:0042803 GO:0042995 GO:0043542 GO:0045121 GO:0046581 GO:0046718 GO:0070062 GO:0071438
220.070.6374.490.090.874n8eB GO:0001618 GO:0001662 GO:0001666 GO:0002020 GO:0004177 GO:0004252 GO:0005102 GO:0005576 GO:0005765 GO:0005886 GO:0005925 GO:0006508 GO:0007155 GO:0008233 GO:0008236 GO:0008239 GO:0008284 GO:0009986 GO:0010716 GO:0016020 GO:0016021 GO:0016324 GO:0016787 GO:0030027 GO:0030054 GO:0030139 GO:0031258 GO:0031295 GO:0033632 GO:0035641 GO:0036343 GO:0042110 GO:0042802 GO:0042803 GO:0042995 GO:0043542 GO:0045121 GO:0046581 GO:0046718 GO:0070062 GO:0071438
230.070.5733.370.060.704f21B GO:0016787
240.070.5233.480.130.653gbsA GO:0005576 GO:0008152 GO:0016042 GO:0016787 GO:0050525 GO:0052689
250.070.5213.720.100.665ajhA GO:0005576 GO:0008152 GO:0016787 GO:0050525 GO:0052689
260.070.5303.700.110.664oyyC GO:0005576 GO:0008152 GO:0016787 GO:0050525 GO:0052689
270.070.5843.400.130.714fhzA GO:0016787
280.070.5783.480.120.711fj2A GO:0002084 GO:0004622 GO:0005737 GO:0005739 GO:0005829 GO:0006629 GO:0006631 GO:0008474 GO:0016298 GO:0016787 GO:0042997 GO:0050999 GO:0070062


Consensus prediction of GO terms
 
Molecular Function GO:0050525 GO:0019213
GO-Score 0.47 0.32
Biological Processes GO:0051704 GO:0051275 GO:0030243
GO-Score 0.40 0.32 0.32
Cellular Component GO:0005576 GO:0044424
GO-Score 0.47 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.