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I-TASSER results for job id Rv2877c

[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 2 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
10.08 4 1ijdD BCL Rep, Mult 210,213
20.04 2 2r9rB PGW Rep, Mult 194,208
30.04 2 3wmoJ BCL Rep, Mult 213,216,220
40.04 2 3ddlB PCW Rep, Mult 18,22,26
50.04 2 1hnz4 III Rep, Mult 38,59,61,63,143,144,145,146,147
60.04 2 3or1F UUU Rep, Mult 13,21
70.02 1 2vjt1 III Rep, Mult 175,208,211,214,218
80.02 1 3h6kB 33T Rep, Mult 26,29
90.02 1 2v463 III Rep, Mult 141,144,216
100.02 1 1s56B XE Rep, Mult 63,249,253
110.02 1 3j0eG NUC Rep, Mult 197,200
120.02 1 3sn5B UNX Rep, Mult 16,183,184,187
130.02 1 5f1rA 42O Rep, Mult 66,67,70
140.02 1 2r9rB PGW Rep, Mult 214,218
150.02 1 1xmeC HAS Rep, Mult 57,61
160.02 1 2vjt3 III Rep, Mult 14,50,51,52,54,55,58
170.02 1 5li3B 9RB Rep, Mult 64,67

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
10.0601vlbA0.3936.720.0550.7041.2.99.760,156
20.0603d3lA0.4015.590.0560.6031.13.11.31NA
30.0601ea0A0.3856.590.0570.6861.4.1.13NA
40.0602dqbA0.3906.280.0670.6623.1.5.196,117
50.0601ofdA0.3916.580.0520.6971.4.7.1NA
60.0602vumB0.3055.620.0600.4742.7.7.6142,177
70.0603b9jC0.3837.040.0540.7181.17.3.2,1.17.1.4NA
80.0602ckjA0.3686.600.0390.6451.17.1.4,1.17.3.2NA
90.0601z8lA0.3936.480.0650.6833.4.17.21NA
100.0603eqmA0.3965.240.0600.5851.14.14.1149
110.0602q9fA0.3965.080.0840.5781.14.13.98144
120.0602wyhA0.4136.570.0570.7283.2.1.24151,177
130.0601frvB0.3755.550.0630.5961.12.2.1144
140.0601fo4A0.3916.680.0390.7111.17.1.4NA
150.0601yrqI0.3895.490.0980.5991.12.2.1101
160.0601dgjA0.3916.740.0630.7041.2.-.-NA
170.0601ii0B0.3896.500.0670.6933.6.3.1693
180.0601yqwR0.3895.480.0980.5991.12.2.1144
190.0601xc6A0.3786.510.0600.6583.2.1.23NA

(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
00.220.6281.540.130.662n4xA GO:0016020 GO:0016021
10.070.4446.370.060.763p0bA GO:0003824 GO:0003844 GO:0005975 GO:0005977 GO:0005978 GO:0016740 GO:0016757
20.070.4436.420.040.764cmrA GO:0003824 GO:0005975 GO:0016787
30.060.3236.430.040.562b5dX
40.060.3736.950.040.703n8tA GO:0000150 GO:0000166 GO:0000400 GO:0000730 GO:0003690 GO:0003697 GO:0003824 GO:0003844 GO:0004134 GO:0004520 GO:0004556 GO:0004557 GO:0005975 GO:0006312 GO:0008094 GO:0010212 GO:0016740 GO:0016757 GO:0030979 GO:0042148 GO:0051060
50.060.2827.070.040.544ia5B GO:0006631 GO:0016491 GO:0050151 GO:0055114 GO:0071949
60.060.3186.090.030.524iggB 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
70.060.3465.550.060.532xkrA GO:0004497 GO:0005506 GO:0005618 GO:0005886 GO:0006707 GO:0016491 GO:0016705 GO:0020037 GO:0031073 GO:0036199 GO:0046872 GO:0055114
80.060.3226.320.070.554fj0D GO:0000166 GO:0016491 GO:0055114
90.060.3097.120.080.591rpnC GO:0008446 GO:0009103 GO:0016829 GO:0019673 GO:0070401
100.060.2986.520.060.513cghA GO:0046872
110.060.4265.880.060.691st6A 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
120.060.2776.650.060.484k1nA 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
130.060.3025.950.060.491sj8A GO:0001726 GO:0003779 GO:0005178 GO:0005200 GO:0005737 GO:0005815 GO:0005856 GO:0005886 GO:0005925 GO:0007016 GO:0007044 GO:0007155 GO:0009986 GO:0016020 GO:0017166 GO:0030054 GO:0030274 GO:0030866 GO:0032403 GO:0032587 GO:0042995 GO:0051015 GO:0070062 GO:0070527
140.060.2935.270.090.443ll9B GO:0000166 GO:0005524 GO:0008299 GO:0016301 GO:0016310 GO:0016740 GO:0102043
150.060.2755.690.040.443mdsA GO:0004784 GO:0006801 GO:0016491 GO:0019430 GO:0046872 GO:0055114
160.060.2876.070.050.474wnlC GO:0003723 GO:0003729 GO:0005634 GO:0005737 GO:0005789 GO:0005934 GO:0006810 GO:0007533 GO:0008289 GO:0008298 GO:0051028
170.060.3407.070.040.654ia6B GO:0006631 GO:0016491 GO:0050151 GO:0055114 GO:0071949
180.060.2704.990.060.394k1oA 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


Consensus prediction of GO terms
 
Molecular Function GO:0003844 GO:0000150 GO:0003690 GO:0000166 GO:0004557 GO:0004134 GO:0004520 GO:0004556 GO:0051060 GO:0000400 GO:0008094 GO:0003697
GO-Score 0.12 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:0044238
GO-Score 0.31
Cellular Component GO:0031224
GO-Score 0.35

(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.