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I-TASSER results for job id Rv0060

[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
10.49 26 5cmsQ APR Rep, Mult 7,8,9,20,21,22,30,31,34,78,115,117,118,119,120,121,149
20.02 1 3jruB CO3 Rep, Mult 92,93,95,96,116

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
10.0602acfB0.4002.170.1440.4352.7.7.4822,30,32,58,119
20.0602ji6A0.4016.290.0650.6364.1.1.825,27
30.0601txzA0.3993.820.1260.4833.1.3.-22,122
40.0603kx2B0.4036.170.0510.6423.6.4.13106,108
50.0602w00B0.3916.710.0370.6683.1.21.329,111
60.0602ewbA0.4185.710.1150.6283.4.11.1,3.4.11.529
70.0602vz9B0.4206.370.0530.6792.3.1.85NA
80.0603h8eA0.4494.650.0650.5803.4.11.196
90.0601larA0.4336.290.0590.6853.1.3.48NA
100.0603ij3A0.3897.010.0530.6793.4.11.1NA
110.0602x42A0.3956.240.0470.6173.2.1.2195
120.0602zuwC0.4126.630.0430.6682.4.1.211NA
130.0603c46B0.3447.230.0360.6252.7.7.6107
140.0602ji8A0.4016.350.0580.6394.1.1.8NA
150.0602jkbA0.4196.850.0570.7223.2.1.18,4.2.2.15NA
160.0602vz8B0.4196.400.0570.6792.3.1.85NA
170.0603ebgA0.4026.420.0370.6623.4.11.-NA
180.0601kwgA0.4066.220.0610.6313.2.1.2376
190.0602vz8A0.4166.450.0450.6762.3.1.85NA

(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
00.250.4202.300.140.461zr5A GO:0000122 GO:0000182 GO:0000228 GO:0000784 GO:0000785 GO:0000786 GO:0000790 GO:0000793 GO:0000977 GO:0000979 GO:0001046 GO:0001558 GO:0001739 GO:0001740 GO:0003677 GO:0003682 GO:0005634 GO:0005694 GO:0005721 GO:0005730 GO:0006334 GO:0006342 GO:0007549 GO:0010385 GO:0016568 GO:0019216 GO:0019899 GO:0019901 GO:0030291 GO:0031490 GO:0031492 GO:0033128 GO:0034184 GO:0035098 GO:0040029 GO:0044212 GO:0045618 GO:0045814 GO:0045815 GO:0046982 GO:0051572 GO:0061086 GO:0061187 GO:0070062 GO:0071169 GO:0071901 GO:1901837 GO:1902750 GO:1904815
10.240.7573.800.110.903vfqA GO:0003950 GO:0005634 GO:0005737 GO:0006351 GO:0006355 GO:0016020 GO:0016740 GO:0016757
20.210.5304.600.140.674guaA GO:0000166 GO:0001172 GO:0003723 GO:0003824 GO:0003968 GO:0004386 GO:0004651 GO:0005524 GO:0005525 GO:0006351 GO:0006370 GO:0006396 GO:0006397 GO:0006508 GO:0008152 GO:0008168 GO:0008174 GO:0008233 GO:0008234 GO:0016020 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0017111 GO:0020002 GO:0030430 GO:0032259 GO:0033644 GO:0039523 GO:0039657 GO:0039690 GO:0039694 GO:0042025 GO:0044157 GO:0044174 GO:0044175 GO:0044176 GO:0044187 GO:0044188 GO:0080009 GO:0098507
30.200.4351.930.150.475cb5A GO:0001883 GO:0008428 GO:0016787 GO:0019213 GO:0019899 GO:0032074 GO:0042278 GO:0060701 GO:0061463 GO:1900231
40.160.3902.590.170.433gqeA GO:0000166 GO:0001172 GO:0003723 GO:0003824 GO:0003968 GO:0004386 GO:0004651 GO:0005524 GO:0005525 GO:0006351 GO:0006370 GO:0006396 GO:0006397 GO:0006508 GO:0008152 GO:0008168 GO:0008174 GO:0008233 GO:0008234 GO:0016020 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0017111 GO:0020002 GO:0030430 GO:0032259 GO:0033644 GO:0039523 GO:0039657 GO:0039694 GO:0042025 GO:0044157 GO:0044174 GO:0044175 GO:0044176 GO:0044187 GO:0044188 GO:0080009 GO:0098507
50.160.3942.070.110.433ewqA GO:0001172 GO:0003723 GO:0003968 GO:0004197 GO:0006508 GO:0008233 GO:0008234 GO:0008242 GO:0008270 GO:0016020 GO:0016021 GO:0016032 GO:0016740 GO:0016787 GO:0019079 GO:0019082 GO:0030430 GO:0030683 GO:0033644 GO:0036459 GO:0039503 GO:0039520 GO:0039548 GO:0039648 GO:0044220 GO:0046872
60.140.3992.220.110.433v2bA GO:0003950 GO:0005634 GO:0006351 GO:0006355 GO:0016740 GO:0016757
70.130.4022.070.110.434abkA GO:0003950 GO:0005634 GO:0005737 GO:0006351 GO:0006355 GO:0016020 GO:0016740 GO:0016757
80.110.4202.230.100.462xd7C GO:0000122 GO:0000784 GO:0000785 GO:0000786 GO:0000790 GO:0000977 GO:0001558 GO:0001740 GO:0003677 GO:0005634 GO:0005654 GO:0005694 GO:0006334 GO:0006342 GO:0007420 GO:0007549 GO:0016568 GO:0031490 GO:0035098 GO:0044212 GO:0045618 GO:0045814 GO:0046982 GO:0070062 GO:0071169 GO:1901837
90.110.4252.250.140.464iqyA GO:0005634 GO:0006974 GO:0007420 GO:0016787 GO:0016798 GO:0019213 GO:0042278 GO:0051725
100.110.3972.210.140.433ewoA GO:0001172 GO:0003723 GO:0003968 GO:0004197 GO:0006508 GO:0008233 GO:0008234 GO:0008242 GO:0008270 GO:0016020 GO:0016021 GO:0016032 GO:0016740 GO:0016787 GO:0019079 GO:0019082 GO:0030430 GO:0033644 GO:0039520 GO:0044220 GO:0046872
110.110.4222.350.120.464umlA GO:0005765 GO:0032526
120.110.3871.990.130.425hihA GO:0001172 GO:0003676 GO:0003723 GO:0003968 GO:0004197 GO:0006508 GO:0008233 GO:0008234 GO:0008242 GO:0008270 GO:0016020 GO:0016021 GO:0016032 GO:0016740 GO:0016787 GO:0019079 GO:0019082 GO:0030430 GO:0030683 GO:0033644 GO:0036459 GO:0039502 GO:0039503 GO:0039520 GO:0039548 GO:0039579 GO:0039595 GO:0039648 GO:0039657 GO:0044220 GO:0046872
130.100.3892.200.100.432vriA GO:0001172 GO:0003723 GO:0003968 GO:0004197 GO:0006508 GO:0008233 GO:0008234 GO:0008242 GO:0008270 GO:0016020 GO:0016021 GO:0016032 GO:0016740 GO:0016787 GO:0019079 GO:0019082 GO:0030430 GO:0030683 GO:0033644 GO:0036459 GO:0039503 GO:0039520 GO:0039548 GO:0039648 GO:0044220 GO:0046872
140.090.4302.170.140.475iitC GO:0000122 GO:0000182 GO:0000228 GO:0000329 GO:0000784 GO:0000785 GO:0000786 GO:0000790 GO:0000793 GO:0000822 GO:0000977 GO:0000979 GO:0001046 GO:0001558 GO:0001739 GO:0001740 GO:0003677 GO:0003682 GO:0005634 GO:0005694 GO:0005721 GO:0005730 GO:0005773 GO:0005774 GO:0005783 GO:0006334 GO:0006342 GO:0006797 GO:0006799 GO:0007034 GO:0007549 GO:0008976 GO:0010385 GO:0016020 GO:0016021 GO:0016237 GO:0016310 GO:0016568 GO:0019216 GO:0019899 GO:0019901 GO:0030291 GO:0031310 GO:0031490 GO:0031492 GO:0033128 GO:0033254 GO:0034184 GO:0035098 GO:0040029 GO:0042144 GO:0044212 GO:0045618 GO:0045814 GO:0045815 GO:0046982 GO:0048016 GO:0051572 GO:0061086 GO:0061187 GO:0070062 GO:0071169 GO:0071901 GO:1901837 GO:1902750 GO:1904815
150.090.3882.410.180.433gpgA GO:0000166 GO:0001172 GO:0003723 GO:0003824 GO:0003968 GO:0004386 GO:0004651 GO:0005524 GO:0005525 GO:0006351 GO:0006370 GO:0006396 GO:0006397 GO:0006508 GO:0008152 GO:0008168 GO:0008174 GO:0008233 GO:0008234 GO:0016020 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0017111 GO:0020002 GO:0030430 GO:0032259 GO:0033644 GO:0039523 GO:0039657 GO:0039694 GO:0042025 GO:0044174 GO:0044175 GO:0044187 GO:0044188 GO:0080009 GO:0098507
160.080.4082.580.130.455ailB GO:0003950 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005829 GO:0006281 GO:0006302 GO:0006974 GO:0016020 GO:0016477 GO:0016740 GO:0060330
170.070.4002.280.140.442acfD GO:0000166 GO:0000175 GO:0001172 GO:0003676 GO:0003723 GO:0003725 GO:0003727 GO:0003968 GO:0004197 GO:0004386 GO:0004482 GO:0004483 GO:0004518 GO:0004519 GO:0004527 GO:0005524 GO:0006351 GO:0006370 GO:0006508 GO:0008168 GO:0008233 GO:0008234 GO:0008242 GO:0008270 GO:0016020 GO:0016021 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0016788 GO:0016817 GO:0016896 GO:0019079 GO:0019082 GO:0019083 GO:0030430 GO:0030683 GO:0032259 GO:0033644 GO:0036265 GO:0036459 GO:0039502 GO:0039503 GO:0039519 GO:0039520 GO:0039549 GO:0039579 GO:0039595 GO:0039604 GO:0039644 GO:0039648 GO:0039657 GO:0039690 GO:0039694 GO:0039714 GO:0044172 GO:0044220 GO:0046872 GO:0071108 GO:0080009 GO:0090305 GO:0090503 GO:1990380 GO:2000158
180.070.3912.380.100.433etiA GO:0000166 GO:0001172 GO:0003723 GO:0003968 GO:0004197 GO:0004386 GO:0004518 GO:0004519 GO:0004527 GO:0005524 GO:0006351 GO:0006508 GO:0008168 GO:0008233 GO:0008234 GO:0008242 GO:0008270 GO:0016020 GO:0016021 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0016896 GO:0019079 GO:0019082 GO:0030430 GO:0030683 GO:0032259 GO:0033644 GO:0036459 GO:0039503 GO:0039520 GO:0039548 GO:0039648 GO:0044172 GO:0044220 GO:0046872 GO:0090305 GO:0090503


Consensus prediction of GO terms
 
Molecular Function GO:0046983 GO:0031491 GO:0019900 GO:0001047 GO:0000976 GO:0001012 GO:0043566 GO:0004860 GO:0016763 GO:0008234 GO:0008174 GO:0004651 GO:0003723 GO:0004386 GO:0003968 GO:0005525 GO:0005524
GO-Score 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.48 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
Biological Processes GO:1901836 GO:0033127 GO:0040008 GO:0070199 GO:0000183 GO:1904814 GO:0045840 GO:0034093 GO:0006469 GO:0006629 GO:0031497 GO:0071168 GO:0045606 GO:1903828 GO:0016049 GO:0065004 GO:0071900 GO:0034182 GO:0006357 GO:0051240 GO:0016479 GO:0031935 GO:0045616 GO:0010628 GO:1901988 GO:1902749 GO:0006461 GO:0031061 GO:0051569 GO:0061085 GO:0034728 GO:0044034 GO:1900190 GO:0060700 GO:0072521 GO:0051346 GO:0044011 GO:0009116 GO:0080009 GO:0001172 GO:0039523 GO:0006508 GO:0006370 GO:0039694 GO:0098507
GO-Score 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.43 0.41 0.41 0.41 0.41 0.41 0.41 0.34 0.34 0.34 0.34 0.34 0.34 0.34
Cellular Component GO:0016020 GO:0031988 GO:0000805 GO:0044815 GO:1903561 GO:0031519 GO:0000775 GO:0000781 GO:0032993 GO:0035097 GO:0005720 GO:0042025 GO:0020002 GO:0044175 GO:0044188 GO:0044176
GO-Score 0.50 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.34 0.34 0.34 0.34 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.