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I-TASSER results for job id Rv3483c

[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
10.10 5 1izlD PHO Rep, Mult 93,94,97,98
20.06 3 5l8gK CA Rep, Mult 90,93
30.04 2 1dbnA NAG Rep, Mult 197,199,213
40.02 1 1yklA DHB Rep, Mult 84,85,202
50.02 1 3lo1A PG0 Rep, Mult 123,152
60.02 1 3fbyC CA Rep, Mult 113,121,123,138,139,140,143
70.02 1 4gctB NUC Rep, Mult 91,95
80.02 1 2w6dA GDP Rep, Mult 100,101,102,126
90.02 1 2yi9A MG Rep, Mult 173,210
100.02 1 1yklG DHB Rep, Mult 84,85
110.02 1 1yklC DHB Rep, Mult 85,202
120.02 1 3fbyC CA Rep, Mult 200,202,204,206,213,217
130.02 1 2x8fA CA Rep, Mult 32,148
140.02 1 3kssA CU1 Rep, Mult 100,126,128
150.02 1 2yiuC SMA Rep, Mult 123,148
160.02 1 1en7B CA Rep, Mult 87,90
170.02 1 3e1aO NUC Rep, Mult 74,75

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
10.0603fwlA0.2455.980.0440.4272.4.1.129NA
20.0602z9uA0.1865.290.0470.3002.6.1.30NA
30.0601qssA0.1725.450.0230.2912.7.7.796
40.0601eqrA0.2535.470.0250.4056.1.1.12NA
50.0602hzpA0.2465.430.0260.4003.7.1.3NA
60.0601cjyA0.2565.910.0550.4503.1.1.4,3.1.1.5NA
70.0602p0mB0.2435.640.0340.4181.13.11.33NA
80.0603iydC0.2445.600.0150.4142.7.7.6128
90.0601ea0A0.1774.800.0000.2731.4.1.13NA
100.0602vuaA0.1675.670.0160.2823.4.24.69116,119
110.0601ygeA0.2634.790.0330.4051.13.11.12NA
120.0602fyfA0.2585.540.0260.4322.6.1.52NA
130.0601ti2A0.1906.470.0280.3771.97.1.2NA
140.0602q3zA0.2515.110.0350.4002.3.2.13NA
150.0602iukA0.2375.830.0290.4181.13.11.12NA
160.0601bglA0.2546.060.0600.4503.2.1.23NA
170.0601xc6A0.2864.960.0210.4503.2.1.23NA
180.0601bgxT0.2405.460.0320.4142.7.7.7NA
190.0603b43A0.2515.530.0380.4232.7.11.1NA

(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
00.090.6653.250.130.821mv3A GO:0005634 GO:0005737 GO:0006897 GO:0006997 GO:0007275 GO:0008283 GO:0015629 GO:0016020 GO:0016032 GO:0030018 GO:0030100 GO:0030154 GO:0030315 GO:0030424 GO:0031674 GO:0033268 GO:0042692 GO:0042802 GO:0043065 GO:0043194 GO:0045664 GO:0048156 GO:0048711 GO:0051015 GO:0060987 GO:0060988 GO:0070063 GO:0071156
10.060.1705.370.030.282vgeA GO:0000122 GO:0003215 GO:0003229 GO:0003714 GO:0005634 GO:0005654 GO:0005737 GO:0005913 GO:0006351 GO:0006355 GO:0006915 GO:0008134 GO:0009791 GO:0030054 GO:0031076 GO:0035264 GO:0042633 GO:0042802 GO:0045171 GO:0045597 GO:0048871 GO:0060048 GO:0098609 GO:0098641 GO:1901796
20.060.1484.120.080.201wxuA GO:0000268 GO:0001561 GO:0001764 GO:0001967 GO:0002230 GO:0005777 GO:0005778 GO:0005779 GO:0006810 GO:0007626 GO:0015031 GO:0016020 GO:0016021 GO:0016560 GO:0021795 GO:0043231 GO:0060152 GO:0098779 GO:0098792
30.060.1194.080.060.172e5kA GO:0004721 GO:0004725 GO:0005634 GO:0005737 GO:0006469 GO:0009968 GO:0016787 GO:0035335 GO:0045670 GO:0045671 GO:0045779 GO:0051279 GO:0090331
40.060.1573.650.070.202ed0A GO:0003677 GO:0005737 GO:0005829 GO:0005856 GO:0006928 GO:0007010 GO:0008093 GO:0008154 GO:0016032 GO:0016477 GO:0016601 GO:0017124 GO:0018108 GO:0019900 GO:0030027 GO:0030175 GO:0031209 GO:0031625 GO:0032403 GO:0042995 GO:0048365 GO:0070064 GO:2000601
50.060.1185.000.060.201ug1A GO:0005085 GO:0005089 GO:0005737 GO:0005794 GO:0005795 GO:0005856 GO:0030054 GO:0035023 GO:0035556 GO:0043547 GO:0045202
60.060.1104.990.070.171pnjA GO:0001678 GO:0001953 GO:0005068 GO:0005158 GO:0005159 GO:0005168 GO:0005634 GO:0005737 GO:0005801 GO:0005829 GO:0005911 GO:0005942 GO:0005943 GO:0006468 GO:0006810 GO:0007162 GO:0007165 GO:0008134 GO:0008286 GO:0008625 GO:0008630 GO:0014065 GO:0015031 GO:0016020 GO:0019903 GO:0030183 GO:0030335 GO:0032760 GO:0032869 GO:0033120 GO:0034644 GO:0034976 GO:0035014 GO:0036312 GO:0042993 GO:0043066 GO:0043125 GO:0043548 GO:0043551 GO:0043559 GO:0043560 GO:0045671 GO:0045944 GO:0046326 GO:0046854 GO:0046935 GO:0046982 GO:0048009 GO:0050821 GO:0051492 GO:0051531 GO:0060396 GO:0090003 GO:0090004 GO:1900103 GO:1990578 GO:2001275
70.060.1573.770.060.211x2qA GO:0005654 GO:0005737 GO:0005768 GO:0005829 GO:0006810 GO:0006886 GO:0006914 GO:0015031 GO:0016020 GO:0016197 GO:0031901 GO:0033565 GO:0036258 GO:0042059 GO:0043231
80.060.1363.920.100.192ysqA GO:0005085 GO:0005089 GO:0005737 GO:0005829 GO:0034220 GO:0035023 GO:0043065 GO:0043547 GO:0051056
90.060.1416.040.030.254a63B GO:0002039 GO:0005070 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0006915 GO:0007049 GO:0007165 GO:0017124 GO:0042802 GO:0042981 GO:0045786 GO:0048471 GO:0051059 GO:0072332 GO:1900119 GO:1900740 GO:1901216 GO:1901796
100.060.1563.710.040.201udlA GO:0005070 GO:0005089 GO:0005509 GO:0005737 GO:0005813 GO:0006897 GO:0009967 GO:0030154 GO:0035023 GO:0043547 GO:0046872 GO:0070062 GO:1903861
110.060.1463.450.130.191ujyA GO:0005085 GO:0005089 GO:0005096 GO:0005622 GO:0005829 GO:0006915 GO:0007254 GO:0030027 GO:0030032 GO:0035023 GO:0042995 GO:0043065 GO:0043547 GO:0051056
120.060.1074.140.000.152ct3A GO:0000122 GO:0005200 GO:0005634 GO:0005737 GO:0005829 GO:0005856 GO:0005925 GO:0006936 GO:0007015 GO:0007155 GO:0008134 GO:0017166 GO:0030054 GO:0031589 GO:0043410 GO:0051495 GO:0051496
130.060.1473.570.110.202yunA GO:0003677 GO:0005634 GO:0005737 GO:0005856 GO:0005886 GO:0006897 GO:0007165 GO:0016020 GO:0016023 GO:0030666 GO:0031410 GO:0045892 GO:0050999
140.060.1533.490.070.202k9gA GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005911 GO:0005925 GO:0006897 GO:0006915 GO:0007010 GO:0007267 GO:0008360 GO:0016020 GO:0016477 GO:0017124 GO:0030054 GO:0030139 GO:0030659 GO:0031410 GO:0042059 GO:0043005 GO:0045202
150.060.1483.410.170.192jt4A GO:0000147 GO:0003779 GO:0005634 GO:0005737 GO:0005768 GO:0005856 GO:0005886 GO:0005938 GO:0006897 GO:0008092 GO:0010008 GO:0016020 GO:0030041 GO:0030479 GO:0030674 GO:0042802 GO:0043130
160.060.1453.500.050.192yuoA GO:0005096 GO:0005622 GO:0005737 GO:0005829 GO:0005921 GO:0006886 GO:0007049 GO:0007050 GO:0012505 GO:0017137 GO:0030695 GO:0031338 GO:0032483 GO:0032486 GO:0045732 GO:0048227 GO:0090630
170.060.1454.220.060.203nmzC GO:0005085 GO:0005089 GO:0005737 GO:0005829 GO:0005886 GO:0016020 GO:0019904 GO:0030032 GO:0030676 GO:0032587 GO:0035023 GO:0035556 GO:0042995 GO:0043065 GO:0043547 GO:0046847 GO:0051056
180.060.1033.680.080.142lj0A GO:0001725 GO:0003779 GO:0005070 GO:0005158 GO:0005634 GO:0005654 GO:0005737 GO:0005813 GO:0005829 GO:0005856 GO:0005886 GO:0005899 GO:0005912 GO:0005913 GO:0005915 GO:0005924 GO:0005925 GO:0006810 GO:0006936 GO:0007015 GO:0007160 GO:0008092 GO:0008286 GO:0009967 GO:0015758 GO:0016020 GO:0016363 GO:0030054 GO:0032869 GO:0043149 GO:0045121 GO:0045725 GO:0046326 GO:0046889 GO:0048041 GO:0090004


Consensus prediction of GO terms
 
Molecular Function GO:0042802 GO:0051015 GO:0070063 GO:0048156 GO:0031625 GO:0017124 GO:0098641 GO:0003714 GO:0004725 GO:0000268 GO:0008093 GO:0048365 GO:0008134 GO:0003677 GO:0070064 GO:0019900
GO-Score 0.14 0.09 0.09 0.09 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06
Biological Processes GO:0006997 GO:0045664 GO:0048711 GO:0060988 GO:0008283 GO:0030100 GO:0042692 GO:0071156 GO:0043065 GO:0060152 GO:0045779 GO:0016601 GO:0009968 GO:0090331 GO:0035335 GO:0001967 GO:0003229 GO:2000601 GO:1901796 GO:0051279 GO:0060048 GO:0006469 GO:0035264 GO:0021795 GO:0001561 GO:0031076 GO:0009791 GO:0001764 GO:0098779 GO:0007626 GO:0000122 GO:0045671 GO:0098792 GO:0016560 GO:0042633 GO:0002230 GO:0018108 GO:0003215
GO-Score 0.09 0.09 0.09 0.09 0.09 0.09 0.09 0.09 0.09 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06
Cellular Component GO:0043231
GO-Score 0.40

(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.