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I-TASSER results for job id Rv2618

[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
10.06 3 4omyD NUC Rep, Mult 2,5,30,31,33,37,38,41
20.06 3 1hbnA UUU Rep, Mult 36,39,42,49
30.06 3 4on0B NUC Rep, Mult 2,4,5,31,33,34,37,38,52,54,66
40.04 2 2e0aA MG Rep, Mult 179,183
50.04 2 1sijA FES Rep, Mult 8,22,23,24,25,32,35
60.04 2 1hbmA NA Rep, Mult 25,28,29,30,31
70.04 2 5ccgC CA Rep, Mult 143,146
80.04 2 4clvA ZN Rep, Mult 139,143
90.02 1 4f8hA LMD Rep, Mult 121,124
100.02 1 2zcpA MG Rep, Mult 22,26
110.02 1 2qb0B MN Rep, Mult 45,64
120.02 1 2g02A ZN Rep, Mult 168,212,222
130.02 1 2iefB NUC Rep, Mult 64,65
140.02 1 1y66A DIO Rep, Mult 4,8

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
10.0601crlA0.4015.970.0460.7163.1.1.3NA
20.0601mpxA0.4075.950.0560.7073.2.1.43NA
30.0603kvnX0.4425.990.0480.7913.1.1.1NA
40.0601pgjA0.4045.380.0410.6441.1.1.4445
50.0601rqgA0.4086.270.0370.7566.1.1.1056
60.0602vn4A0.4095.810.0670.6893.2.1.3151
70.0602vn7A0.4046.060.0510.7203.2.1.338
80.0601wz2A0.4225.800.0760.7476.1.1.4NA
90.0603gf7A0.4105.740.0830.6894.1.1.70NA
100.0601e6yA0.4205.020.0610.6842.8.4.1NA
110.0601ileA0.4155.980.0510.7476.1.1.5NA
120.0601pixA0.4126.000.0750.7294.1.1.70NA
130.0601gaxA0.4136.260.0550.7696.1.1.9NA
140.0601lpsA0.4065.730.0450.6983.1.1.3NA
150.0601vlbA0.4495.790.0620.7601.2.99.714
160.0601iq8A0.4365.840.0520.7512.4.2.29NA
170.0601h19A0.4086.050.0260.7113.3.2.611
180.0602o6yA0.4315.450.0420.6894.3.1.-NA
190.0601gz7A0.4045.940.0510.7163.1.1.3NA

(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
00.210.7002.030.120.772p4wB GO:0003677 GO:0003700 GO:0006351 GO:0006355
10.070.4675.300.060.731st6A GO:0001725 GO:0002009 GO:0002162 GO:0003779 GO:0005198 GO:0005623 GO:0005737 GO:0005743 GO:0005856 GO:0005886 GO:0005903 GO:0005911 GO:0005912 GO:0005913 GO:0005915 GO:0005916 GO:0005925 GO:0005927 GO:0007155 GO:0008013 GO:0015629 GO:0016020 GO:0017166 GO:0030018 GO:0030032 GO:0030054 GO:0030334 GO:0030486 GO:0031594 GO:0031625 GO:0034333 GO:0034394 GO:0042383 GO:0042803 GO:0043034 GO:0043234 GO:0043297 GO:0045121 GO:0045294 GO:0045296 GO:0048675 GO:0051015 GO:0051371 GO:0051393 GO:0070062 GO:0070527 GO:0090136 GO:0090636 GO:0090637 GO:0097110 GO:0098723 GO:1903561 GO:1990357
20.060.3695.650.030.602x0lA GO:0000122 GO:0000784 GO:0000790 GO:0001085 GO:0001701 GO:0002039 GO:0003677 GO:0003682 GO:0003700 GO:0004407 GO:0005634 GO:0005654 GO:0005667 GO:0006351 GO:0006355 GO:0006357 GO:0006482 GO:0007275 GO:0007596 GO:0008134 GO:0008283 GO:0010569 GO:0010725 GO:0016491 GO:0016568 GO:0016575 GO:0019899 GO:0021983 GO:0030374 GO:0030851 GO:0032091 GO:0032451 GO:0032452 GO:0032453 GO:0032454 GO:0033169 GO:0033184 GO:0034644 GO:0034648 GO:0034720 GO:0042162 GO:0043234 GO:0043392 GO:0043426 GO:0043433 GO:0043518 GO:0044212 GO:0045648 GO:0045654 GO:0045892 GO:0045944 GO:0046886 GO:0050660 GO:0050681 GO:0051091 GO:0051572 GO:0051573 GO:0055001 GO:0055114 GO:0061752 GO:0071480 GO:1902166 GO:1903827 GO:1990391 GO:2000179 GO:2000648
30.060.3824.620.060.564p9tA GO:0005198 GO:0005634 GO:0005737 GO:0005856 GO:0005886 GO:0005912 GO:0005913 GO:0007155 GO:0007275 GO:0007409 GO:0015629 GO:0016020 GO:0016323 GO:0016337 GO:0021942 GO:0030027 GO:0030054 GO:0030154 GO:0030424 GO:0042995 GO:0045296 GO:0048813 GO:0048854 GO:0051015 GO:0051823 GO:0060134 GO:0097481
40.060.3474.550.060.504k1nA GO:0001541 GO:0001669 GO:0005198 GO:0005737 GO:0005794 GO:0005829 GO:0005856 GO:0005886 GO:0005911 GO:0005912 GO:0005913 GO:0005915 GO:0005925 GO:0007015 GO:0007155 GO:0007163 GO:0007406 GO:0007568 GO:0008013 GO:0008584 GO:0014070 GO:0014704 GO:0015629 GO:0016020 GO:0016264 GO:0016342 GO:0016600 GO:0017166 GO:0030027 GO:0030054 GO:0031103 GO:0034613 GO:0042127 GO:0042475 GO:0043066 GO:0043231 GO:0043297 GO:0043627 GO:0044822 GO:0045295 GO:0045296 GO:0045880 GO:0046982 GO:0051015 GO:0051291 GO:0071681 GO:0090136 GO:2000146 GO:2001045 GO:2001240 GO:2001241
50.060.3603.690.130.452cweA GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0046982
60.060.3596.040.040.644iggB GO:0001541 GO:0001669 GO:0005198 GO:0005737 GO:0005794 GO:0005829 GO:0005856 GO:0005886 GO:0005911 GO:0005912 GO:0005913 GO:0005915 GO:0005925 GO:0007015 GO:0007155 GO:0007163 GO:0007406 GO:0007568 GO:0008013 GO:0008584 GO:0014070 GO:0014704 GO:0015629 GO:0016020 GO:0016264 GO:0016342 GO:0016600 GO:0017166 GO:0030027 GO:0030054 GO:0031103 GO:0034332 GO:0034613 GO:0042127 GO:0042475 GO:0043066 GO:0043231 GO:0043297 GO:0043627 GO:0044822 GO:0045295 GO:0045296 GO:0045880 GO:0051015 GO:0051149 GO:0051291 GO:0071681 GO:0090136 GO:0098641 GO:2000146 GO:2001045 GO:2001240 GO:2001241
70.060.3035.090.090.442di3A GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0046872
80.060.3204.920.070.481dowA GO:0001541 GO:0001669 GO:0005198 GO:0005737 GO:0005794 GO:0005829 GO:0005856 GO:0005886 GO:0005911 GO:0005912 GO:0005913 GO:0005915 GO:0005925 GO:0007015 GO:0007155 GO:0007163 GO:0007406 GO:0007568 GO:0008013 GO:0008584 GO:0014070 GO:0014704 GO:0015629 GO:0016020 GO:0016264 GO:0016342 GO:0016600 GO:0017166 GO:0030027 GO:0030054 GO:0031103 GO:0034613 GO:0042127 GO:0042475 GO:0043066 GO:0043231 GO:0043297 GO:0043627 GO:0044822 GO:0045295 GO:0045296 GO:0045880 GO:0046982 GO:0051015 GO:0051291 GO:0071681 GO:0090136 GO:2000146 GO:2001045 GO:2001240 GO:2001241
90.060.3065.010.030.454onsC GO:0005198 GO:0005634 GO:0005737 GO:0005856 GO:0005886 GO:0005912 GO:0005913 GO:0007155 GO:0007275 GO:0007409 GO:0015629 GO:0016020 GO:0016323 GO:0016337 GO:0021942 GO:0030027 GO:0030054 GO:0030154 GO:0030424 GO:0042995 GO:0045296 GO:0048813 GO:0048854 GO:0051015 GO:0051823 GO:0060134 GO:0097481
100.060.2912.610.160.333f6oA GO:0003677 GO:0003700 GO:0006351 GO:0006355
110.060.2912.720.120.331ub9A GO:0003700 GO:0006355
120.060.3012.320.220.333f6vA GO:0003677 GO:0003700 GO:0006351 GO:0006355
130.060.2905.250.070.472h34A GO:0000166 GO:0004672 GO:0004674 GO:0005524 GO:0005576 GO:0005886 GO:0006468 GO:0009405 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0043085 GO:0043086 GO:0045717 GO:0046777 GO:0051409
140.060.2872.970.060.332x4hC GO:0003677 GO:0003700 GO:0006355 GO:0046872 GO:0046914 GO:0046983
150.060.3044.660.130.432qlzB GO:0003700 GO:0006355
160.060.2814.430.060.401i1gA GO:0003677 GO:0003700 GO:0005622 GO:0006351 GO:0006355 GO:0043565
170.060.2973.390.140.363bddA
180.060.2932.350.210.332oqgA GO:0003677 GO:0003700 GO:0006351 GO:0006355


Consensus prediction of GO terms
 
Molecular Function GO:0003676 GO:0001071 GO:0003779 GO:0050839 GO:0032403
GO-Score 0.52 0.52 0.36 0.36 0.36
Biological Processes GO:2000112 GO:1903506 GO:0010468 GO:0006351 GO:0022610
GO-Score 0.52 0.52 0.52 0.52 0.36
Cellular Component GO:0071944 GO:0005912 GO:0005911 GO:0005856
GO-Score 0.36 0.36 0.36 0.36

(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.