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I-TASSER results for job id Rv0774c

[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
10.27 9 1jt2A FER Rep, Mult 108,109,185,186,212,213,282
20.11 6 1wb4A SXX Rep, Mult 185,186,189,211,212,256,257,260
30.04 2 3hrhB GOL Rep, Mult 147,148,149,158,193,194,226,234
40.04 2 3hrhB GOL Rep, Mult 147,186,189,190,212,234
50.03 2 1u8eA UUU Rep, Mult 89,91,138,139,140
60.03 2 1f0pA TRE Rep, Mult 108,109,110,185,281,283,286
70.02 1 3i6yB CL Rep, Mult 109,185,186,220
80.02 1 3fcxA CA Rep, Mult 254,255,256,280,281
90.02 1 2bgrB UUU Rep, Mult 106,111,112,115
100.02 1 3c8dA CIT Rep, Mult 185,186,212,214
110.02 1 3mgaB NA Rep, Mult 92,129,133,134,136,137
120.02 1 4flmA CU Rep, Mult 59,172
130.02 1 3hrhB GOL Rep, Mult 84,85,86,87,141

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
10.3413cn7A0.5242.880.1970.6043.1.1.1109,185,255,281
20.3371auoA0.5412.910.2390.6213.1.1.1109,185,255,281
30.2861i6wB0.4663.300.1470.5543.1.1.3185,186,281
40.2751jjfA0.6942.650.1900.7723.2.1.8111,119,147,186
50.2741dinA0.5382.980.1360.6273.1.1.45255,281
60.2421vkhA0.5923.150.0990.6963.5.1.9166
70.2172ocgA0.5713.090.1830.6673.1.-.-106,185,187,191,255,281
80.2082h1iA0.5063.440.1400.6113.1.1.1111,185,211
90.0671fj2A0.5503.060.1910.6403.1.4.39109
100.0673fakA0.5983.370.1240.7203.1.1.-NA
110.0661j1iA0.5503.500.1800.6603.7.1.8185
120.0601aknA0.6183.800.1030.7663.1.1.13,3.1.1.3NA
130.0602ecfA0.6613.620.1590.8023.4.14.5185,255,281
140.0601cleA0.6293.520.1300.7563.1.1.3NA
150.0601qo9A0.6293.510.1200.7563.1.1.7NA
160.0601f6wA0.6273.770.1150.7723.1.1.13,3.1.1.3NA
170.0602veoB0.6043.450.1150.7433.1.1.3198
180.0602ogsA0.6163.470.1190.7433.1.1.1185
190.0601thgA0.6213.560.0930.7563.1.1.3NA
200.0603fcxB0.6852.170.1830.7493.1.2.12185
210.0602fj0A0.6293.580.1000.7593.1.1.1NA
220.0601b41A0.6333.450.1000.7593.1.1.7NA
230.0601gz7C0.6273.530.1290.7563.1.1.3NA
240.0601k4yA0.6173.490.1260.7463.1.1.1NA
250.0602pm8A0.6273.470.0970.7563.1.1.8NA
260.0603c6bA0.6822.360.1980.7563.1.2.12109,186,281,287
270.0601c7jA0.6103.560.1180.7433.1.1.-185
280.0601mx9D0.6243.410.1120.7493.1.1.1NA
290.0601jjiA0.6053.650.1180.7433.1.1.1255,281
300.0603n2zB0.6053.340.1210.7233.4.16.2273,281

(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
00.340.6732.590.190.751dqyA GO:0004144 GO:0005576 GO:0005618 GO:0006869 GO:0009247 GO:0016740 GO:0016746 GO:0016747 GO:0046677 GO:0050348 GO:0071769
10.300.6942.650.190.771jjfA GO:0000272 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0030246 GO:0031176 GO:0033905 GO:0045493
20.290.5452.850.180.623u0vA GO:0002084 GO:0004622 GO:0005737 GO:0005829 GO:0008474 GO:0016787 GO:0052689 GO:0070062
30.280.5963.440.170.713visA GO:0003847 GO:0015996 GO:0016042 GO:0046872 GO:0047746
40.270.5242.880.200.603cn7A GO:0002084 GO:0005737 GO:0008474 GO:0016787 GO:0052689
50.270.7052.730.150.805cxxB GO:0016787 GO:0030600
60.260.6572.440.200.732uz0A
70.240.5922.950.150.691ufoA GO:0016020 GO:0016021
80.230.6812.760.150.771gklA GO:0000272 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0031176 GO:0043263 GO:0045493
90.230.4953.810.170.634h0cA GO:0016787
100.230.5963.360.180.704cg3A GO:0003847 GO:0015996 GO:0016042 GO:0016787 GO:0047746 GO:0050525
110.220.6912.190.190.764b6gA GO:0016787 GO:0018738 GO:0046294 GO:0052689
120.210.6962.110.200.763ls2A GO:0016787 GO:0018738 GO:0046294 GO:0052689
130.210.5273.380.140.644ke6E GO:0016787 GO:0047372 GO:0052689
140.210.5362.970.140.633trdA GO:0016787
150.210.5933.230.180.704eb0A GO:0003847 GO:0016042 GO:0016787 GO:0050525
160.200.5952.880.120.693pf8A GO:0016787
170.200.6972.140.210.763i6yA GO:0016787 GO:0018738 GO:0046294 GO:0052689
180.200.6533.150.150.763mgaA GO:0005506 GO:0005737 GO:0006826 GO:0008849
190.190.6702.340.180.751sfrA GO:0004144 GO:0005576 GO:0005618 GO:0005737 GO:0005886 GO:0016740 GO:0016746 GO:0016747 GO:0044119 GO:0044121 GO:0050348
200.190.6842.390.200.761pv1A GO:0005737 GO:0005829 GO:0016787 GO:0018738 GO:0046294 GO:0052689
210.180.4963.640.170.612r8bA GO:0016787
220.170.5843.430.190.704wfiA GO:0003847 GO:0016042 GO:0046872
230.160.6113.490.180.723dohA GO:0002084 GO:0005737 GO:0008474 GO:0016787 GO:0052689
240.140.6852.170.180.753fcxB GO:0005737 GO:0005788 GO:0016023 GO:0016787 GO:0016788 GO:0018738 GO:0031410 GO:0046294 GO:0047374 GO:0052689 GO:0070062 GO:1901687
250.130.5883.040.150.693hjuA 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
260.100.5472.830.110.632i3dB GO:0016787
270.100.6942.150.210.763e4dA GO:0016787 GO:0018738 GO:0046294 GO:0046872 GO:0052689
280.090.5892.690.150.673f67A GO:0016787
290.090.6613.620.160.802ecfA GO:0006508 GO:0008236
300.090.6752.480.180.761f0nA GO:0004144 GO:0005576 GO:0005618 GO:0005886 GO:0016740 GO:0016746 GO:0016747 GO:0040007 GO:0044119 GO:0046677 GO:0050348 GO:0052572
310.080.6012.650.150.692wtmA
320.070.5412.910.240.621auoA GO:0016787 GO:0052689
330.070.5703.540.130.691u2eA GO:0003824 GO:0005737 GO:0016787 GO:0018771 GO:0019380 GO:0019439 GO:0019622 GO:0042803 GO:0052823
340.070.6113.610.130.751qz3A GO:0008152 GO:0016787
350.070.5663.710.130.694i3fA GO:0016787
360.070.5643.590.130.703b12A GO:0003824 GO:0016787 GO:0018785
370.070.5373.200.160.644lheA GO:0016787 GO:0047372 GO:0052689
380.070.5483.100.170.643heaA GO:0003824 GO:0004064 GO:0004601 GO:0016491 GO:0016787 GO:0055114 GO:0098869
390.070.5213.110.180.611m33A GO:0005737 GO:0009102 GO:0016787 GO:0052689 GO:0090499
400.070.5923.720.090.734e15B GO:0004061 GO:0006569 GO:0008152 GO:0016272 GO:0016787 GO:0019441
410.070.5152.940.180.604nmwA GO:0005737 GO:0009102 GO:0016787 GO:0052689
420.070.5484.000.110.702og1A GO:0003824 GO:0016787 GO:0016823 GO:0018771 GO:0018774 GO:0019439
430.070.5603.140.170.663p2mA GO:0052689
440.070.5853.170.130.694opmA GO:0004806 GO:0016787
450.070.6543.160.160.762b20A GO:0005506 GO:0005737 GO:0006826 GO:0008849 GO:0016787
460.070.5463.230.180.641a8sA GO:0003824 GO:0004601 GO:0016491 GO:0016691 GO:0055114 GO:0098869
470.070.5473.050.180.641a8qA GO:0003824 GO:0004601 GO:0016491 GO:0017000 GO:0055114 GO:0098869
480.070.5542.900.170.643fobA GO:0003824 GO:0004601 GO:0009636 GO:0016491 GO:0016691 GO:0016787 GO:0019806 GO:0055114 GO:0098869
490.070.5573.310.150.664dgqA GO:0004601 GO:0016491 GO:0016691 GO:0055114 GO:0098869
500.070.5843.460.110.703wlaA GO:0016787 GO:0042597 GO:0047699
510.070.6353.320.090.774eziA GO:0004806 GO:0016042
520.070.5763.030.140.674ufoA GO:0003824 GO:0016787
530.070.4984.100.090.641ex9A GO:0004806 GO:0005576 GO:0005615 GO:0006629 GO:0009986 GO:0016042 GO:0016298 GO:0016787 GO:0046872
540.070.4972.910.100.575f2hB GO:0016787
550.060.4205.110.100.601tglA GO:0004806 GO:0006629 GO:0016042 GO:0016787 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0004620 GO:0043169 GO:0008474 GO:0052689 GO:0004144 GO:0050348 GO:0033905 GO:0030246 GO:0031176
GO-Score 0.58 0.56 0.48 0.48 0.34 0.34 0.30 0.30 0.30
Biological Processes GO:0046149 GO:0044712 GO:0006787 GO:0015994 GO:0002084 GO:0009247 GO:0046677 GO:0006869 GO:0071769 GO:0045493
GO-Score 0.56 0.56 0.56 0.56 0.48 0.34 0.34 0.34 0.34 0.30
Cellular Component GO:0044444 GO:0031988 GO:1903561 GO:0005618
GO-Score 0.58 0.58 0.58 0.34

(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.