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I-TASSER results for job id Rv3627c

[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
10.72 126 2y55B FP5 Rep, Mult 113,114,117,295,297,344,345,346,408,409,410,411,412
20.13 24 1xpbA SO4 Rep, Mult 114,295,387,408,409,410,411,416
30.11 20 2xdmC BO8 Rep, Mult 114,117,210,213,218,295,297,344,345,346,348,410,411,412,413
40.02 9 3d4fA MA4 Rep, Mult 401,405,418,422,432,434,447,448,452,455,456
50.01 3 1w8qA CO Rep, Mult 128,131,132
60.01 2 1tdgA MA4 Rep, Mult 409,416,418,445
70.01 3 1ongA MA4 Rep, Mult 388,391,392,409,416,447,448
80.00 1 3zvwC MG Rep, Mult 234,235
90.00 1 1w8qA CO Rep, Mult 158,163,279,281

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
10.4362vgkD0.7841.530.2850.8133.4.16.4128,158,282
20.3123a3iA0.7332.520.2520.7923.4.16.4114,208,295,346,411,437
30.2932j9pA0.7881.080.2680.8033.4.16.4114,387,409,411
40.1983c4pA0.4653.360.1430.5293.5.2.6342
50.1561iysA0.4623.470.1460.5343.5.2.6411
60.1193lezA0.4523.380.1290.5183.5.2.6295,297
70.0742wafA0.4714.140.0970.5683.4.-.-114
80.0671g68A0.4723.180.1180.5343.5.2.6390
90.0672v1zA0.4633.350.1230.5273.5.2.6390
100.0671dy6A0.4603.560.1300.5363.5.2.6114,117,295
110.0671yljA0.4613.440.1590.5313.5.2.6318
120.0671bsgA0.4613.650.1850.5363.5.2.6114,117,289
130.0671hzoA0.4643.400.1260.5343.5.2.6117,295
140.0671djaA0.4543.350.1330.5233.5.2.6135
150.0671bueA0.4543.590.1220.5293.5.2.6114,117
160.0601rp5A0.4514.590.1070.5573.4.-.-114
170.0602rcxB0.4424.860.0980.5683.5.2.6362
180.0603bydA0.4583.440.1360.5273.5.2.6135
190.0602e8iA0.4484.610.0750.5603.5.1.46336,355
200.0601iyqA0.4613.450.1470.5313.5.2.6NA
210.0603bfdA0.4653.330.1390.5313.5.2.6NA
220.0601c3bA0.4414.710.0920.5603.5.2.6114,117,408
230.0601fr1A0.4504.780.1100.5663.5.2.6114,117,408
240.0601n4oB0.4583.510.1520.5293.5.2.6NA
250.0602zc7A0.4464.670.0990.5623.5.2.6114,117,408
260.0603a3jA0.4483.730.1140.5273.4.16.4126
270.0603cg5A0.4613.480.1670.5313.5.2.6135
280.0601alqA0.4033.610.1300.4713.5.2.6135
290.0602ex2A0.7272.610.2610.7903.4.16.4110,114,296,346,384,409,411
300.0601mfoA0.4513.520.1540.5233.5.2.6135
310.0602j9oD0.4793.520.1210.5533.4.16.4320,377
320.0601skfA0.4483.550.1540.5213.4.16.4343
330.0602blmA0.4513.360.1480.5183.5.2.6295

(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
00.570.7272.610.260.792ex2A GO:0000270 GO:0004175 GO:0004180 GO:0004185 GO:0006508 GO:0007049 GO:0008360 GO:0008658 GO:0009002 GO:0009252 GO:0009253 GO:0009254 GO:0016787 GO:0016998 GO:0030288 GO:0042597 GO:0043093 GO:0046677 GO:0051301 GO:0071555
10.560.6912.620.240.753a3eB GO:0004185 GO:0006508
20.500.7352.490.250.793a3dA GO:0004185 GO:0006508 GO:0007049 GO:0008360 GO:0009002 GO:0009252 GO:0016787 GO:0042597 GO:0046677 GO:0051301 GO:0071555
30.310.4513.360.150.522blmA GO:0005886 GO:0008800 GO:0016020 GO:0016787 GO:0030655 GO:0046677
40.300.7881.080.270.802j9pA GO:0004185 GO:0005576 GO:0006508 GO:0007049 GO:0008360 GO:0009002 GO:0009252 GO:0016787 GO:0051301 GO:0071555
50.280.5953.220.170.675cedA GO:0004180 GO:0004185 GO:0006508 GO:0009002 GO:0016787
60.270.7841.560.280.814b4xA GO:0004180 GO:0004185 GO:0005576 GO:0006508 GO:0008233 GO:0008360 GO:0009002 GO:0009252 GO:0016787 GO:0046677 GO:0071555
70.260.6053.780.160.703v39A GO:0004180 GO:0004185 GO:0006508 GO:0009002 GO:0016787
80.260.4633.350.120.532v1zA GO:0008800 GO:0016787 GO:0030655 GO:0046677
90.240.4683.380.140.543w4oA GO:0008800 GO:0016787 GO:0030655 GO:0046677
100.200.4543.350.130.521djaA GO:0008800 GO:0016787 GO:0030655 GO:0046677
110.200.6023.650.150.705cerA GO:0004180 GO:0004185 GO:0006508 GO:0009002 GO:0016787
120.190.4603.350.140.534yfmA GO:0008800 GO:0016787 GO:0030655 GO:0046677
130.190.4663.240.120.534id4A GO:0008800 GO:0016787 GO:0030655 GO:0046677
140.170.4573.770.170.542wuqB GO:0006351 GO:0006355
150.080.4683.220.130.533cjmA GO:0016020 GO:0016021
160.070.4753.500.130.551e25A GO:0008800 GO:0016787 GO:0030655 GO:0046677
170.070.4563.430.120.523qhyA GO:0008800 GO:0016787 GO:0017001 GO:0030655 GO:0046677
180.060.4333.200.170.493mfdA GO:0004175 GO:0004180 GO:0005887 GO:0006508 GO:0008233 GO:0008360 GO:0009002 GO:0009252 GO:0016020 GO:0016787 GO:0030435 GO:0071555
190.060.2607.250.060.432hb6A GO:0004177 GO:0005622 GO:0005737 GO:0006508 GO:0008233 GO:0008235 GO:0016787 GO:0019538 GO:0030145 GO:0040009 GO:0042802 GO:0046662 GO:0046872
200.060.2497.210.040.412bvfA GO:0000166 GO:0003824 GO:0016491 GO:0016614 GO:0018530 GO:0050660 GO:0055114
210.060.2347.650.020.401wleB GO:0000166 GO:0004812 GO:0004828 GO:0005524 GO:0005737 GO:0005739 GO:0005759 GO:0006412 GO:0006418 GO:0006434 GO:0016874 GO:0097056
220.060.2406.110.070.354wepB GO:0005215 GO:0005886 GO:0006810 GO:0006865 GO:0030288 GO:0031460 GO:0042597 GO:0055052 GO:0071474
230.060.2276.750.050.361osnA GO:0000166 GO:0004797 GO:0005524 GO:0006230 GO:0016301 GO:0016310 GO:0016740 GO:0071897
240.060.2386.850.050.381d2fB GO:0003824 GO:0004121 GO:0006351 GO:0006355 GO:0008652 GO:0009058 GO:0009086 GO:0016829 GO:0030170 GO:0043433 GO:0080146
250.060.2197.320.030.364k6nA GO:0003824 GO:0004084 GO:0005737 GO:0006532 GO:0008152 GO:0008696 GO:0009098 GO:0009099 GO:0016829 GO:0030170 GO:0046654 GO:0046656
260.060.2286.740.030.361s70A GO:0000781 GO:0004721 GO:0004722 GO:0005634 GO:0005737 GO:0005925 GO:0005975 GO:0005977 GO:0006470 GO:0007049 GO:0016787 GO:0016791 GO:0017018 GO:0019901 GO:0030155 GO:0032922 GO:0042752 GO:0043153 GO:0046872 GO:0050115 GO:0051301 GO:0070062 GO:0070688 GO:0072357
270.060.2136.180.060.314fosA GO:0004764 GO:0008652 GO:0009073 GO:0009423 GO:0016491 GO:0019632 GO:0050661 GO:0055114
280.060.1835.970.060.271bs9A GO:0000272 GO:0005576 GO:0005975 GO:0008152 GO:0016787 GO:0030245 GO:0045493 GO:0046555 GO:0052689


Consensus prediction of GO terms
 
Molecular Function GO:0009002 GO:0004175 GO:0008658 GO:0008800
GO-Score 0.85 0.57 0.57 0.31
Biological Processes GO:0006508 GO:0046677 GO:0008360 GO:0009252 GO:0071555 GO:0009253 GO:0009254 GO:0016998 GO:0043093 GO:0030655
GO-Score 0.93 0.85 0.85 0.85 0.85 0.57 0.57 0.57 0.57 0.31
Cellular Component GO:0030288 GO:0005886 GO:0005576
GO-Score 0.57 0.31 0.30

(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.