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I-TASSER results for job id Rv1597

[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
10.34 18 3lhdD SAH Rep, Mult 56,58,77,78,79,82,102,103,104,119,120,121,144,167
20.13 7 4er6A AW2 Rep, Mult 42,54,56,57,58,62,77,78,79,101,102,103,117,119,121,140,141,245
30.04 2 1p91A SAM Rep, Mult 22,56,57,58,59,60,61,62,119,120,143,145,149,243

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
10.1512aovA0.7074.040.0830.9562.1.1.861
20.1483e05D0.5543.200.1430.6592.1.1.13290
30.1442iftA0.5012.910.1170.5832.1.1.52NA
40.1373lccA0.6242.990.1240.7382.1.1.-NA
50.1241xxlA0.6962.970.1550.8182.1.1.-NA
60.0792fk8A0.6904.080.1070.8892.1.1.-NA
70.0791wznA0.6252.860.1200.7222.1.1.-NA
80.0782a14A0.6473.640.1660.7982.1.1.4958,98
90.0711xcjA0.6103.550.1020.7582.1.1.2NA
100.0703hnrA0.5673.000.1300.6632.1.1.-NA
110.0672pxxA0.5833.130.1370.6863.4.24.7158
120.0671f38A0.5453.060.1410.6472.1.1.-NA
130.0673e05B0.5533.150.1420.6552.1.1.132NA
140.0673grzB0.5392.760.0940.6192.1.1.-NA
150.0602p35A0.6793.240.1330.8252.1.1.144102
160.0602opbB0.6613.240.1500.7982.1.1.2858,98,106
170.0601bhjA0.6293.560.1310.7662.1.1.20234
180.0601fp2A0.6003.060.1140.7302.1.1.150NA
190.0602iipA0.6513.600.1410.8022.1.1.158,102
200.0602ip2A0.6032.930.1060.7182.1.1.-NA
210.0601uirB0.5753.670.1180.7222.5.1.16102
220.0603bgdA0.6293.110.1080.7622.1.1.67119
230.0601im8A0.5903.380.1270.7142.1.1.-NA
240.0603eppB0.6083.180.1430.7342.1.1.5699
250.0601sqfA0.5783.590.1320.7102.1.1.-NA
260.0602ex4A0.6283.360.1390.7702.1.1.-NA
270.0601ri5A0.6043.410.1320.7342.1.1.56102
280.0603i58A0.6193.040.1270.7502.1.1.-NA
290.0601kphC0.6993.880.1060.8812.1.1.7910,25
300.0602vdwG0.6313.390.1180.7742.7.7.5089
310.0601p91A0.6953.590.1500.8572.1.1.51NA
320.0602h11B0.6333.030.0720.7622.1.1.67NA
330.0601tw2B0.6353.160.1480.7782.1.1.-NA

(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
00.330.6022.820.150.703l8dA GO:0008152 GO:0008168 GO:0016740 GO:0032259
10.330.6092.650.150.693sm3A GO:0008152 GO:0008168 GO:0016740 GO:0032259 GO:0046872
20.310.6212.350.140.702p8jB GO:0008152 GO:0008168 GO:0016740 GO:0032259
30.290.6442.900.160.751vlmA GO:0005737 GO:0008152 GO:0008168 GO:0008757 GO:0032259
40.280.7333.230.160.874krhA GO:0008152 GO:0008168 GO:0032259 GO:0046872 GO:0051536 GO:0051539
50.270.7343.420.170.884ineA GO:0000773 GO:0005737 GO:0006656 GO:0008152 GO:0008168 GO:0016740 GO:0032259 GO:0080101
60.260.6062.960.180.713bxoA GO:0008168 GO:0008757 GO:0016740 GO:0017000 GO:0032259 GO:0042803
70.250.7643.460.120.945egpA GO:0008168 GO:0016740 GO:0032259
80.240.7592.390.140.863ccfB GO:0008152 GO:0008168 GO:0016740 GO:0030798 GO:0032259
90.240.6252.860.120.721wznA
100.220.6153.730.070.775dm2A GO:0008168 GO:0016740 GO:0032259
110.220.6793.350.120.824iv8A GO:0000234 GO:0008152 GO:0008168 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
120.210.6972.870.150.812gluA GO:0005737 GO:0008152 GO:0008168 GO:0008757 GO:0016740 GO:0032259
130.210.7114.030.150.942yqzA GO:0008152 GO:0008168 GO:0032259 GO:0046872 GO:0051536 GO:0051539
140.200.7012.950.220.811vl5A GO:0008152 GO:0008168 GO:0016740 GO:0032259
150.200.6953.110.130.842p35A GO:0005737 GO:0008168 GO:0016740 GO:0030798 GO:0032259
160.190.6643.710.150.853egeA GO:0008152 GO:0008168 GO:0032259
170.190.7452.910.110.883mggB GO:0008168 GO:0016740 GO:0032259
180.190.6273.890.120.844hg2B GO:0008152 GO:0008168 GO:0016740 GO:0032259
190.190.5392.760.090.623grzB GO:0005737 GO:0006479 GO:0008168 GO:0008276 GO:0016740 GO:0032259
200.180.6003.440.130.733dlcA GO:0008152 GO:0008168 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
210.180.5483.550.140.683g8bB GO:0005737 GO:0006364 GO:0008168 GO:0008649 GO:0016740 GO:0031167 GO:0032259 GO:0070043 GO:0070476
220.170.6212.450.140.703dh0B GO:0005737 GO:0008757 GO:0032259 GO:0046872 GO:0051536 GO:0051539
230.170.5472.890.120.633mb5A GO:0008033 GO:0008168 GO:0016429 GO:0016740 GO:0030488 GO:0031515 GO:0032259
240.160.6944.090.140.882o57A
250.160.5713.210.120.692xvaA GO:0005737 GO:0005829 GO:0008168 GO:0008757 GO:0009636 GO:0016740 GO:0032259 GO:0046677 GO:0046690
260.160.5252.720.130.601yb2A GO:0000154 GO:0000179 GO:0008649 GO:0016429 GO:0030488 GO:0031167 GO:0031515
270.150.5033.040.070.604pooB GO:0008168 GO:0032259 GO:0046872 GO:0051536 GO:0051539
280.150.7653.360.110.951m6eX GO:0008168 GO:0016740 GO:0032259 GO:0046872
290.140.5743.190.140.683duwA GO:0008168 GO:0008171 GO:0016740 GO:0032259
300.140.7673.230.090.942efjA GO:0008168 GO:0009820 GO:0016740 GO:0032259
310.140.5482.970.120.642yvlA GO:0016429 GO:0030488 GO:0031515 GO:0046872 GO:0051536 GO:0051539
320.130.7003.290.110.873b5iA GO:0000287 GO:0008168 GO:0009944 GO:0010252 GO:0016740 GO:0032259 GO:0042802 GO:0046872 GO:0051749
330.130.7373.740.170.904pneB GO:0008152 GO:0008168 GO:0016740 GO:0032259
340.130.7493.300.100.922eg5E GO:0008168 GO:0009820 GO:0016740 GO:0032259
350.130.7253.630.110.935f2kA GO:0008168 GO:0032259
360.120.5423.560.080.652ipxA GO:0000494 GO:0001094 GO:0001649 GO:0001651 GO:0001652 GO:0003723 GO:0005634 GO:0005654 GO:0005730 GO:0006364 GO:0006396 GO:0008033 GO:0008168 GO:0008649 GO:0015030 GO:0016020 GO:0016074 GO:0016740 GO:0030529 GO:0031167 GO:0031428 GO:0032040 GO:0032259 GO:0044822 GO:0048254 GO:0051117 GO:0070062 GO:1990258 GO:1990259
370.120.7233.660.090.943g5tA GO:0005737 GO:0005829 GO:0008168 GO:0016740 GO:0032259 GO:0046547
380.120.5923.470.150.733g5lA
390.120.7103.380.130.871p91A GO:0005737 GO:0006364 GO:0008168 GO:0008270 GO:0008989 GO:0016740 GO:0032259 GO:0046872 GO:0052911 GO:0070475
400.120.6954.230.100.901tpyA GO:0005618 GO:0005737 GO:0005886 GO:0006629 GO:0008168 GO:0008610 GO:0008825 GO:0016740 GO:0032259 GO:0071768
410.110.6964.200.100.901kpgA GO:0005737 GO:0005886 GO:0006629 GO:0008168 GO:0008610 GO:0008825 GO:0016740 GO:0032259 GO:0046500 GO:0071768
420.110.7123.300.120.854f86A GO:0008168 GO:0008169 GO:0008757 GO:0016740 GO:0032259 GO:0042214
430.110.5353.280.090.653eeyA GO:0008168 GO:0032259 GO:0046872 GO:0051536 GO:0051539
440.110.7163.340.130.863uj7A GO:0008168 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
450.100.7133.540.120.874mwzB GO:0008168 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
460.100.6924.150.100.893hemA GO:0001666 GO:0005737 GO:0005829 GO:0005886 GO:0006629 GO:0008168 GO:0008610 GO:0008825 GO:0016740 GO:0032259 GO:0046500 GO:0052167 GO:0071766 GO:0071768 GO:0071769
470.090.5463.180.140.655c1iB GO:0008033 GO:0008168 GO:0016429 GO:0016740 GO:0030488 GO:0031515 GO:0032259
480.090.6283.190.150.751ve3B GO:0046872 GO:0051536 GO:0051539
490.090.6433.480.120.795je1A GO:0008168 GO:0016740 GO:0032259
500.080.6614.020.090.863bkxA GO:0008168 GO:0016740 GO:0032259
510.070.5282.860.130.623mtiB GO:0008168 GO:0016740 GO:0032259
520.070.5212.750.090.613i9fB GO:0008152 GO:0008168 GO:0032259 GO:0046872
530.070.6012.880.100.713dliA
540.070.5142.970.080.614pooA GO:0008168 GO:0032259 GO:0046872 GO:0051536 GO:0051539
550.070.5483.420.120.672hnkB GO:0008168 GO:0008171 GO:0016740 GO:0032259
560.070.4833.150.140.581eizA GO:0000027 GO:0000453 GO:0001510 GO:0005737 GO:0005829 GO:0006364 GO:0008168 GO:0008650 GO:0016436 GO:0016740 GO:0032259
570.070.5283.340.110.634by9E GO:0003723 GO:0006364 GO:0008033 GO:0008168 GO:0016740 GO:0032259


Consensus prediction of GO terms
 
Molecular Function GO:0008168 GO:0051540 GO:0046872
GO-Score 0.84 0.55 0.51
Biological Processes GO:0032259
GO-Score 0.84
Cellular Component GO:0044424
GO-Score 0.59

(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.