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I-TASSER results for job id Rv0473

[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 3 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
10.10 5 5cwfA CA Rep, Mult 408,411
20.08 4 1ijdD BCL Rep, Mult 437,440
30.06 3 1o6oA III Rep, Mult 93,96,97,101,124,127,130,131
40.04 2 3bx3A NUC Rep, Mult 87,145,147,178,181,184,215,221,253,254,256,257,260,261,294,297,329,330,331,361,363,364,401
50.04 2 3jcuD CLA Rep, Mult 406,430
60.02 1 2bptA III Rep, Mult 132,135,136,139,140,161,164
70.02 1 3q1rA NUC Rep, Mult 125,126
80.02 1 3a79B III Rep, Mult 427,430,440
90.02 1 1o6pA III Rep, Mult 137,163,167
100.02 1 4fe1J CLA Rep, Mult 112,114
110.02 1 1aiiA CA Rep, Mult 315,324
120.02 1 2o01F CLA Rep, Mult 69,94,95,98
130.02 1 2i76A NDP Rep, Mult 121,126
140.02 1 2lrlD PO3 Rep, Mult 120,121
150.02 1 4eneA DMU Rep, Mult 402,406

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
10.0601j0mA0.3387.830.0460.6034.2.2.12NA
20.0603b9jC0.2657.300.0490.4411.17.3.2,1.17.1.4NA
30.0603draA0.4295.170.0830.5832.5.1.58,2.5.1.59NA
40.0602pziA0.3676.260.0490.5462.7.11.1NA
50.0602np0A0.3687.860.0380.6623.4.24.69NA
60.0601d8dA0.4445.130.0580.6052.5.1.58NA
70.0602uv8G0.3408.120.0350.6232.3.1.86NA
80.0603dsxA0.4225.190.0590.5722.5.1.60NA
90.0602x0sA0.3817.210.1030.6362.7.9.1NA
100.0602dqmA0.3966.720.0540.6123.4.11.2NA
110.0603b95B0.3464.840.0430.4612.1.1.43347,367,379
120.0602e1qA0.3777.670.0570.6621.17.3.2,1.17.1.4NA
130.0601z0hB0.1907.170.0280.3093.4.24.69448
140.0601ojnA0.3597.470.0420.6084.2.2.1NA
150.0603b9jJ0.2176.740.0420.3441.17.1.4,1.17.3.292,115
160.0603ebgA0.3886.640.0420.5903.4.11.-NA
170.0601ho8A0.4045.180.0660.5463.6.3.14211
180.0601l5jA0.3846.710.0720.5904.2.1.3NA
190.0601kc7A0.3917.340.0640.6602.7.9.1NA

(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
00.240.9411.910.100.991b3uA GO:0000086 GO:0000159 GO:0000184 GO:0000188 GO:0000775 GO:0003823 GO:0004722 GO:0005634 GO:0005694 GO:0005737 GO:0005739 GO:0005829 GO:0006275 GO:0006355 GO:0006461 GO:0006470 GO:0006672 GO:0006915 GO:0007059 GO:0007084 GO:0007143 GO:0008380 GO:0008601 GO:0010033 GO:0015630 GO:0016020 GO:0019932 GO:0030111 GO:0030155 GO:0030308 GO:0034047 GO:0040008 GO:0042518 GO:0045595 GO:0046982 GO:0051232 GO:0051306 GO:0051754 GO:0070062 GO:0070262 GO:1903538 GO:2001241
10.200.7234.820.050.964a0cA GO:0000151 GO:0005634 GO:0005654 GO:0005737 GO:0005794 GO:0010265 GO:0016020 GO:0016567 GO:0017025 GO:0030154 GO:0031461 GO:0043086 GO:0045893 GO:0045899 GO:0070062
20.180.6125.770.070.872q5dB GO:0000059 GO:0000060 GO:0005634 GO:0005635 GO:0005643 GO:0005654 GO:0005737 GO:0005829 GO:0006309 GO:0006606 GO:0006607 GO:0006610 GO:0006810 GO:0006886 GO:0007079 GO:0007080 GO:0008139 GO:0008270 GO:0008536 GO:0008565 GO:0015031 GO:0016020 GO:0016032 GO:0019054 GO:0019899 GO:0019904 GO:0030953 GO:0031291 GO:0031965 GO:0034399 GO:0040001 GO:0043234 GO:0044822 GO:0045184 GO:0051879 GO:0070062 GO:0071782 GO:0075733 GO:0090307
30.170.6195.050.100.821qgkA GO:0000059 GO:0000060 GO:0005634 GO:0005635 GO:0005643 GO:0005654 GO:0005737 GO:0005829 GO:0006309 GO:0006606 GO:0006607 GO:0006610 GO:0006810 GO:0006886 GO:0007079 GO:0007080 GO:0008139 GO:0008270 GO:0008536 GO:0008565 GO:0015031 GO:0016020 GO:0016032 GO:0019054 GO:0019899 GO:0019904 GO:0030953 GO:0031291 GO:0031965 GO:0034399 GO:0040001 GO:0043234 GO:0044822 GO:0045184 GO:0051879 GO:0070062 GO:0071782 GO:0075733 GO:0090307
40.120.4053.170.100.464lacA GO:0000086 GO:0000159 GO:0000184 GO:0000188 GO:0000775 GO:0003823 GO:0004722 GO:0005634 GO:0005694 GO:0005737 GO:0005739 GO:0005829 GO:0006275 GO:0006355 GO:0006461 GO:0006470 GO:0006672 GO:0006915 GO:0007059 GO:0007084 GO:0007143 GO:0008380 GO:0008601 GO:0010033 GO:0015630 GO:0016020 GO:0019932 GO:0030111 GO:0030155 GO:0030308 GO:0034047 GO:0040008 GO:0042518 GO:0045595 GO:0046982 GO:0051232 GO:0051306 GO:0051754 GO:0070062 GO:0070262 GO:1903538 GO:2001241
50.110.6855.330.060.943zjyE GO:0005634 GO:0005737 GO:0006606 GO:0006810 GO:0006886 GO:0008139 GO:0008536 GO:0008565 GO:0015031 GO:0031965
60.110.6655.110.070.894ol0B GO:0004872 GO:0005634 GO:0005737 GO:0006810 GO:0008139 GO:0008565 GO:0015031 GO:0031965 GO:0035048 GO:0042802 GO:0043231
70.110.6995.010.080.934c0qA GO:0004872 GO:0005634 GO:0005737 GO:0006810 GO:0008139 GO:0008565 GO:0015031 GO:0031965 GO:0035048 GO:0042802 GO:0043231
80.100.7114.890.060.942x1gF GO:0005737 GO:0006606 GO:0006886 GO:0007270 GO:0008139 GO:0008536 GO:0008565 GO:0031965 GO:0042331 GO:0050804
90.100.6715.510.060.933wyfC GO:0000055 GO:0000776 GO:0005634 GO:0005737 GO:0005816 GO:0006406 GO:0006611 GO:0006810 GO:0006886 GO:0008536 GO:0008565 GO:0015031 GO:0034501 GO:0048471
100.090.6935.070.070.942xwuB GO:0005634 GO:0005737 GO:0006606 GO:0006810 GO:0006886 GO:0008139 GO:0008536 GO:0008565 GO:0015031 GO:0031965
110.090.6685.030.080.883zkvA GO:0005737 GO:0006606 GO:0006886 GO:0007270 GO:0008139 GO:0008536 GO:0008565 GO:0031965 GO:0042331 GO:0050804
120.080.6635.400.050.915difC GO:0000055 GO:0000776 GO:0005634 GO:0005737 GO:0005816 GO:0006406 GO:0006611 GO:0006810 GO:0006886 GO:0008536 GO:0008565 GO:0015031 GO:0034501 GO:0048471
130.080.6165.680.060.874c0qB GO:0004872 GO:0005634 GO:0005737 GO:0006810 GO:0008139 GO:0008565 GO:0015031 GO:0031965 GO:0035048 GO:0042802 GO:0043231
140.060.4333.900.060.531oyzA GO:0006974 GO:0046677
150.060.3734.450.080.471lrvA
160.060.3604.190.050.453ebbA GO:0006644 GO:0006954 GO:0007165 GO:0016005 GO:0043085 GO:0070062
170.060.3783.520.090.454g3aB GO:0000022 GO:0000070 GO:0000775 GO:0000776 GO:0000922 GO:0005525 GO:0005634 GO:0005737 GO:0005813 GO:0005815 GO:0005819 GO:0005827 GO:0005856 GO:0005874 GO:0005875 GO:0005876 GO:0007049 GO:0007051 GO:0007052 GO:0007067 GO:0007275 GO:0007282 GO:0007411 GO:0008017 GO:0016325 GO:0019827 GO:0030154 GO:0030426 GO:0030723 GO:0031116 GO:0032154 GO:0035099 GO:0035371 GO:0040001 GO:0042995 GO:0045169 GO:0045172 GO:0046580 GO:0046602 GO:0048477 GO:0051225 GO:0051301 GO:0051315 GO:0090307
180.060.3484.350.060.454qmhA GO:0000022 GO:0000132 GO:0000922 GO:0005813 GO:0005875 GO:0007017 GO:0007029 GO:0007067 GO:0007143 GO:0007344 GO:0007411 GO:0008017 GO:0015631 GO:0016325 GO:0031122 GO:0035371 GO:0045196 GO:0045450 GO:0048477 GO:0090063


Consensus prediction of GO terms
 
Molecular Function GO:0008134 GO:0046982 GO:0008536 GO:0044822 GO:0008565 GO:0003823 GO:0004722 GO:0008139 GO:0019904 GO:0051879 GO:0008601 GO:0008270
GO-Score 0.40 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33
Biological Processes GO:0032446 GO:0045898 GO:0060261 GO:0007080 GO:0030111 GO:0090307 GO:0008380 GO:0019054 GO:0051306 GO:0000060 GO:0007143 GO:0030953 GO:0006610 GO:0051754 GO:0006672 GO:0006607 GO:0000086 GO:0007084 GO:0030308 GO:0040001 GO:0031291 GO:0000059 GO:0019932 GO:0075733 GO:0006309 GO:0030155 GO:0051232 GO:0034047 GO:0070262 GO:0010033 GO:0000188 GO:2001241 GO:1903538 GO:0007079 GO:0006275 GO:0000184 GO:0042518
GO-Score 0.40 0.40 0.40 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33
Cellular Component GO:0070062 GO:0005829 GO:0005654 GO:1990234 GO:0000159 GO:0000775 GO:0015630 GO:0031965 GO:0034399 GO:0005643 GO:0005739 GO:0071782
GO-Score 0.64 0.55 0.46 0.40 0.33 0.33 0.33 0.33 0.33 0.33 0.33 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.