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I-TASSER results for job id Rv0286

[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
10.07 4 3wguB CLR Rep, Mult 101,104
20.04 2 1h16A NA Rep, Mult 105,106,107,108,110
30.04 2 3lw5K CLA Rep, Mult 86,90
40.02 1 3l26B MG Rep, Mult 18,22,23
50.02 1 3wmmO CRT Rep, Mult 218,235
60.02 1 2a68P MG Rep, Mult 94,97
70.02 1 3k3wA CA Rep, Mult 132,140
80.02 1 1i1eA DM2 Rep, Mult 167,168,169,170,177,179,193
90.02 1 1s0dA CA Rep, Mult 160,161,163,166
100.02 1 3iilA MG Rep, Mult 11,12
110.02 1 1xmeC HAS Rep, Mult 219,223
120.02 1 2z3iD BLS Rep, Mult 60,62
130.02 1 3i8gW MG Rep, Mult 75,79
140.02 1 4y28G CLA Rep, Mult 79,83
150.02 1 2vlxA PEO Rep, Mult 23,27,34
160.02 1 2g38B MN Rep, Mult 152,155,156
170.02 1 3f1eC MG Rep, Mult 92,95
180.02 1 1pprM PID Rep, Mult 148,152
190.02 1 2w0sB BVP Rep, Mult 27,31,34
200.02 1 2obeB 2HP Rep, Mult 102,105,148,150,151

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
10.0601zcjA0.2166.900.0190.3311.1.1.35NA
20.0602qf7B0.2797.620.0430.4626.4.1.1NA
30.0601rw9A0.3137.280.0580.4934.2.2.5NA
40.0603iydC0.3298.010.0330.5672.7.7.613
50.0601y2mB0.3437.180.0680.5404.3.1.24NA
60.0602qb0B0.1496.650.0300.2283.2.1.17413,419
70.0602x58A0.3127.340.0670.5015.3.3.8,4.2.1.17,1.1.1.3520,104
80.0603hkzJ0.3397.610.0430.5692.7.7.697
90.0602vz8B0.3277.200.0480.5182.3.1.85NA
100.0601w27A0.3457.520.0570.5734.3.1.24NA
110.0603cf4A0.3057.380.0490.4931.2.99.2NA
120.0602vz8A0.3257.240.0430.5152.3.1.85NA
130.0601kc7A0.3197.070.0410.4992.7.9.1NA
140.0601h16A0.3247.460.0380.5282.3.1.54NA
150.0602vz9B0.3247.480.0380.5322.3.1.85NA
160.0601j0mA0.3076.940.0780.4764.2.2.12NA
170.0601z0hB0.2346.640.0140.3553.4.24.6992,158
180.0602zxqA0.3207.750.0400.5463.2.1.97168
190.0602aryA0.2056.920.0570.3163.4.22.52NA

(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
00.110.6903.730.080.774ut1A GO:0005198 GO:0009424 GO:0044780
10.070.4634.920.070.572d4yA GO:0005198 GO:0005576 GO:0009288 GO:0009424 GO:0044780 GO:0071973
20.060.3477.440.060.574v2rB GO:0003824 GO:0005737 GO:0006558 GO:0006559 GO:0009698 GO:0009800 GO:0009820 GO:0009821 GO:0016829 GO:0016841 GO:0016853 GO:0016869 GO:0042617 GO:0045548 GO:0051289
30.060.3467.690.070.584c6gB GO:0003824 GO:0005737 GO:0006558 GO:0006559 GO:0009698 GO:0009800 GO:0009820 GO:0009821 GO:0016829 GO:0016841 GO:0016853 GO:0016869 GO:0042617 GO:0045548 GO:0051289
40.060.3447.010.050.541y2mB GO:0003824 GO:0005737 GO:0006559 GO:0009698 GO:0009800 GO:0016829 GO:0016841 GO:0045548 GO:0052883
50.060.3457.520.060.571w27A GO:0003824 GO:0005737 GO:0006559 GO:0009698 GO:0009800 GO:0016829 GO:0016841 GO:0045548
60.060.3437.480.060.573nz4B GO:0003824 GO:0005737 GO:0006558 GO:0006559 GO:0009698 GO:0009800 GO:0009820 GO:0009821 GO:0016829 GO:0016841 GO:0016853 GO:0016869 GO:0042617 GO:0045548 GO:0051289
70.060.2806.920.060.443unvA GO:0003824
80.060.2847.160.060.452o6yA GO:0003824 GO:0006572 GO:0009698 GO:0009699 GO:0016829 GO:0016841 GO:0042802 GO:0051289 GO:0052883
90.060.2587.260.060.412nyfA GO:0003824 GO:0005737 GO:0009072 GO:0009698 GO:0009699 GO:0009800 GO:0016829 GO:0016841 GO:0045548 GO:0051289
100.060.2498.070.060.434n0rA GO:0005975
110.060.2816.930.080.443kdyA GO:0003824 GO:0009403 GO:0016829 GO:0016841 GO:0016853 GO:0017000 GO:0050368 GO:0052883
120.060.2416.990.100.371gk2A GO:0003824 GO:0004397 GO:0005737 GO:0006547 GO:0006548 GO:0016829 GO:0016841 GO:0019556 GO:0019557
130.060.2338.040.050.402wssA GO:0000166 GO:0005524 GO:0005739 GO:0005743 GO:0005753 GO:0005886 GO:0006754 GO:0006810 GO:0006811 GO:0015986 GO:0015991 GO:0015992 GO:0016020 GO:0016820 GO:0033178 GO:0045261 GO:0046034 GO:0046933 GO:0046961
140.060.2807.020.060.443czoB GO:0003824 GO:0004397 GO:0005737 GO:0009072 GO:0009698 GO:0009699 GO:0009800 GO:0016829 GO:0016841 GO:0045548 GO:0051289
150.060.1957.480.030.323v7dB GO:0000082 GO:0000086 GO:0004842 GO:0005634 GO:0007049 GO:0007067 GO:0007126 GO:0016363 GO:0016567 GO:0019005 GO:0030435 GO:0031146 GO:0042787 GO:0043130 GO:0043224 GO:0050815 GO:0051301 GO:0061630
160.060.2197.100.040.341n8pA GO:0003824 GO:0003962 GO:0004123 GO:0005737 GO:0008652 GO:0016829 GO:0019343 GO:0019344 GO:0019346 GO:0030170 GO:0042802 GO:0044540 GO:0071266 GO:0080146
170.060.2127.040.060.342aekA GO:0016106 GO:0016829 GO:0045482
180.060.1926.210.040.274zusA GO:0002376 GO:0002474 GO:0006955 GO:0016020 GO:0016021 GO:0019882 GO:0042605 GO:0042612


Consensus prediction of GO terms
 
Molecular Function GO:0016840
GO-Score 0.36
Biological Processes GO:0072330 GO:0009803 GO:0009699 GO:0006558 GO:0009063 GO:0030031 GO:0044781 GO:0070925
GO-Score 0.36 0.36 0.36 0.36 0.36 0.33 0.33 0.33
Cellular Component GO:0044424 GO:0044461
GO-Score 0.36 0.33

(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.