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I-TASSER results for job id Rv2267c

[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
10.32 23 4goxA A3P Rep, Mult 89,90,91,93,94,95,242,250,253,304,308,342,343,344
20.01 1 1vkjA SO4 Rep, Mult 94,217
30.01 1 3ap1B III Rep, Mult 89,111,113,163,164,166,167,170,219,220,223,224,262,263,264,265
40.01 1 3ap1A III Rep, Mult 100,103,105,106,213
50.01 1 3ap1A III Rep, Mult 89,111,113,164,167,219,220,223,256,257,261,262,350
60.01 1 4eyeA IOD Rep, Mult 93,302,303,304
70.01 1 1t8uB UUU Rep, Mult 89,94,157,159,217,219,220,251,252,254,255,258,259,277,278
80.01 1 2zvqX 1NP Rep, Mult 241,242,243,280,305,363,372
90.01 1 2wpnA SBY Rep, Mult 81,83,236,238,318,322
100.01 1 2ovbA SO4 Rep, Mult 242,250,253
110.01 1 3ap3B A3P Rep, Mult 90,91,92,93,94,242,250,254,304,344,346,347,349,352
120.01 1 3ap2B PO4 Rep, Mult 255,350
130.01 1 1j99A HGI Rep, Mult 319,320,323,324,325,326

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
10.1483bd9A0.4614.110.1280.5722.8.2.2393,242,279,308
20.1351zrhA0.4624.070.1260.5722.8.2.2392,242,308
30.0603a8tA0.3984.080.0870.4952.5.1.2792
40.0602dwoA0.4004.700.0790.5332.7.1.105,3.1.3.46NA
50.0601aqyA0.4534.390.1090.5772.8.2.4NA
60.0602fhcA0.4396.260.0360.6913.2.1.41218,228,279
70.0601nx9A0.4046.570.0530.6493.1.1.43304
80.0602fhbA0.4356.190.0420.6863.2.1.41221
90.0601j99A0.4644.280.1410.5832.8.2.14,2.8.2.2NA
100.0603cklB0.4674.700.1200.6062.8.2.-NA
110.0603dt7A0.4216.690.0190.6914.1.1.32NA
120.0602wanA0.4206.100.0320.6493.2.1.41223
130.0602e9bA0.4145.760.0500.6163.2.1.41NA
140.0602zciA0.4196.710.0230.6804.1.1.32NA
150.0602b4kA0.4046.530.0570.6473.1.1.43NA
160.0601k6mA0.4014.480.0930.5262.7.1.105,3.1.3.4693,220,315
170.0601ii2A0.4146.560.0650.6654.1.1.49NA
180.0602zytX0.4644.590.1500.5902.8.2.9NA
190.0602vr5A0.4086.500.0580.6573.2.1.-NA
200.0601bglA0.4076.540.0800.6573.2.1.23284
210.0601q20A0.4664.740.1360.6062.8.2.2NA

(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
00.450.9411.280.180.972z6vA
10.390.8062.670.180.902zq5A
20.240.4813.800.170.574gbmA GO:0003824 GO:0008152 GO:0016740 GO:0031177 GO:0046872
30.210.4724.050.190.574goxA GO:0003824 GO:0008152 GO:0016740 GO:0031177
40.140.4084.090.150.501cjmA GO:0004062 GO:0005737 GO:0005829 GO:0006584 GO:0006629 GO:0006805 GO:0008146 GO:0008202 GO:0009812 GO:0016740 GO:0036498 GO:0050427 GO:0051923
50.120.4614.110.130.573bd9A GO:0000139 GO:0005794 GO:0006024 GO:0006477 GO:0008146 GO:0008467 GO:0015015 GO:0016020 GO:0016021 GO:0016740 GO:0046596 GO:0050656 GO:0050819
60.110.4634.460.130.591efhB GO:0004062 GO:0004304 GO:0005737 GO:0005829 GO:0006629 GO:0007586 GO:0008146 GO:0008202 GO:0016042 GO:0016740 GO:0030573 GO:0047704 GO:0050294 GO:0050427 GO:0051923
70.110.4624.070.130.571zrhA GO:0005794 GO:0005796 GO:0006024 GO:0008146 GO:0008467 GO:0016021 GO:0016740
80.110.4644.280.140.581j99A GO:0004062 GO:0004304 GO:0005737 GO:0005829 GO:0006629 GO:0007586 GO:0008146 GO:0008202 GO:0016042 GO:0016740 GO:0030573 GO:0047704 GO:0050294 GO:0050427 GO:0051923
90.090.4144.390.150.534eecA GO:0008146 GO:0016740 GO:0017000
100.090.4544.220.150.571t8tB GO:0000139 GO:0005794 GO:0006024 GO:0008146 GO:0008467 GO:0016020 GO:0016021 GO:0016740 GO:0033872
110.070.4284.050.130.541zd1A GO:0004062 GO:0005737 GO:0005829 GO:0006629 GO:0006790 GO:0008146 GO:0008202 GO:0016740 GO:0050427
120.070.4834.390.110.611nstA GO:0000139 GO:0000165 GO:0000271 GO:0003279 GO:0003824 GO:0005794 GO:0006024 GO:0006477 GO:0006954 GO:0007224 GO:0007507 GO:0007585 GO:0008146 GO:0008152 GO:0008543 GO:0009887 GO:0015012 GO:0015016 GO:0016020 GO:0016021 GO:0016740 GO:0016787 GO:0019213 GO:0030203 GO:0030210 GO:0030900 GO:0030901 GO:0035904 GO:0048702 GO:0048703 GO:0050119 GO:0060976
130.070.4754.210.160.593ap2A GO:0000139 GO:0005783 GO:0005794 GO:0006478 GO:0008476 GO:0016020 GO:0016021 GO:0016740 GO:0070062
140.070.4694.230.140.583rnlA GO:0016740 GO:0046872
150.060.4524.720.130.592gwhB GO:0004062 GO:0005737 GO:0005829 GO:0008146 GO:0016740 GO:0050427 GO:0051923
160.060.4294.410.120.552ad1A GO:0004062 GO:0005737 GO:0005829 GO:0008146 GO:0016740 GO:0050427 GO:0051923
170.060.4204.190.180.523nibA GO:0008146
180.060.3955.430.090.552jfgA GO:0000166 GO:0005524 GO:0005737 GO:0007049 GO:0008360 GO:0008764 GO:0009058 GO:0009252 GO:0016874 GO:0042802 GO:0051301 GO:0071555


Consensus prediction of GO terms
 
Molecular Function GO:0016740 GO:0043169 GO:0031177
GO-Score 0.49 0.48 0.40
Biological Processes GO:0008152
GO-Score 0.40
Cellular Component GO:0005829
GO-Score 0.14

(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.