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I-TASSER results for job id Rv1046c

[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
10.07 7 1po11 J80 Rep, Mult 28,54,56,69,96
20.04 4 4niaA NUC Rep, Mult 1,2,3,51,54,147
30.04 4 1mqtA SPL Rep, Mult 28,50,52,54,111,112,113,124
40.03 3 1oopA SPH Rep, Mult 28,52,54,73,110,111,124
50.03 3 1al21 SPH Rep, Mult 52,54,104,107,111,125
60.02 2 2hwe1 W54 Rep, Mult 28,29,56,68,69,70,141
70.02 2 1nd3A W11 Rep, Mult 56,67,68,69,96
80.02 2 1c8m1 W11 Rep, Mult 9,55,57,69,70,71,124,126
90.02 2 2wff1 III Rep, Mult 2,50,103,146,151
100.02 2 1vrh1 SD8 Rep, Mult 28,52,54,56,70,104
110.02 2 1fi1A GMH Rep, Mult 45,163
120.02 2 1eah1 SC4 Rep, Mult 28,49,52,54,56,111,113,124
130.02 2 1k5mA SPH Rep, Mult 48,54,111,113
140.02 2 3pcaM DHB Rep, Mult 29,32
150.01 1 3e3gB SO4 Rep, Mult 57,95
160.01 1 1igxA UUU Rep, Mult 61,64,127
170.01 1 2rr11 W8R Rep, Mult 56,89,90,91,96
180.01 1 1d4m1 W71 Rep, Mult 28,29,111,115,116,121,122,123,124,125
190.01 1 1hx6B MPD Rep, Mult 5,6,28,51,145
200.01 1 3aj0A ZN Rep, Mult 36,37,126,141

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
10.0601d3i10.5664.440.0590.8743.6.1.15NA
20.0601kfxL0.4463.910.0290.6383.4.22.53NA
30.0601sdwA0.4494.320.0290.6844.3.2.5,1.14.17.3NA
40.0601piv10.5614.450.0660.8743.4.22.29NA
50.0602aryA0.3005.790.0380.5753.4.22.52NA
60.0602cseA0.4794.710.0340.7702.7.7.50NA
70.0601gu3A0.4364.400.1020.6723.2.1.472
80.0602bbvA0.5124.670.0520.8223.4.23.4455
90.0601pov00.5554.250.0400.8513.4.22.2966
100.0601tme10.5274.290.0730.8162.7.7.48107,109,150
110.0601h8tA0.5654.470.0590.8743.4.22.28NA
120.0601jew10.5654.480.0790.8743.4.22.2886,104,129
130.0601zba10.4744.510.0300.7363.6.1.15NA
140.0602nqaB0.3065.820.0080.5813.4.22.53,3.4.22.52NA
150.0601novC0.5124.890.0580.8453.4.23.4469
160.0601bev10.5694.260.0790.8622.7.7.48113
170.0601h6yA0.4544.020.0660.6723.2.1.8NA
180.0601fmd20.5464.330.0550.8393.4.22.4692
190.0601kgyA0.4593.930.0670.6722.7.10.1143

(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
00.070.5584.570.060.885aooC GO:0000166 GO:0001172 GO:0003723 GO:0003724 GO:0003968 GO:0004197 GO:0004386 GO:0005198 GO:0005216 GO:0005524 GO:0006351 GO:0006508 GO:0006810 GO:0006811 GO:0008233 GO:0008234 GO:0016020 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0019012 GO:0019028 GO:0019062 GO:0030430 GO:0033644 GO:0034220 GO:0039694 GO:0039707 GO:0044161 GO:0044162 GO:0044385 GO:0046718 GO:0051259
10.070.5784.410.040.905j98C GO:0000166 GO:0001172 GO:0003723 GO:0003724 GO:0003968 GO:0004197 GO:0004386 GO:0005198 GO:0005524 GO:0006351 GO:0006508 GO:0008233 GO:0008234 GO:0016020 GO:0016740 GO:0016779 GO:0016787 GO:0019012 GO:0019028 GO:0033644 GO:0039694
20.070.5854.300.030.895j98B GO:0000166 GO:0001172 GO:0003723 GO:0003724 GO:0003968 GO:0004197 GO:0004386 GO:0005198 GO:0005524 GO:0006351 GO:0006508 GO:0008233 GO:0008234 GO:0016020 GO:0016740 GO:0016779 GO:0016787 GO:0019012 GO:0019028 GO:0033644 GO:0039694
30.070.5724.480.070.894qpgC GO:0005198 GO:0019012 GO:0019028
40.070.6084.110.080.892zzqA GO:0003723 GO:0005198 GO:0016032 GO:0019012 GO:0019028 GO:0030430 GO:0039615 GO:0044228
50.070.5624.580.060.881tmf3 GO:0000166 GO:0001172 GO:0003723 GO:0003724 GO:0003968 GO:0004197 GO:0004386 GO:0005198 GO:0005216 GO:0005524 GO:0006351 GO:0006508 GO:0006810 GO:0006811 GO:0008233 GO:0008234 GO:0016020 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0017111 GO:0018144 GO:0019012 GO:0019028 GO:0019030 GO:0019062 GO:0030430 GO:0030683 GO:0033644 GO:0034220 GO:0039503 GO:0039520 GO:0039522 GO:0039544 GO:0039548 GO:0039657 GO:0039694 GO:0039707 GO:0042025 GO:0044161 GO:0044162 GO:0044385 GO:0046718 GO:0046872 GO:0051259
60.070.5604.450.040.861z7s3 GO:0000166 GO:0001172 GO:0003723 GO:0003724 GO:0003968 GO:0004197 GO:0004386 GO:0005198 GO:0005216 GO:0005524 GO:0006260 GO:0006351 GO:0006508 GO:0006810 GO:0006811 GO:0008233 GO:0008234 GO:0016020 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0017111 GO:0018144 GO:0019012 GO:0019028 GO:0019062 GO:0030430 GO:0030683 GO:0033644 GO:0034220 GO:0039503 GO:0039520 GO:0039522 GO:0039540 GO:0039544 GO:0039611 GO:0039618 GO:0039657 GO:0039690 GO:0039694 GO:0039707 GO:0044161 GO:0044162 GO:0044385 GO:0044694 GO:0046718 GO:0046872 GO:0051259 GO:0075509
70.070.5624.420.070.861mqtC GO:0005198 GO:0019012 GO:0019028
80.070.5584.470.040.861pov3 GO:0000166 GO:0001172 GO:0003723 GO:0003724 GO:0003968 GO:0004197 GO:0004386 GO:0005198 GO:0005216 GO:0005524 GO:0006351 GO:0006508 GO:0006810 GO:0006811 GO:0008233 GO:0008234 GO:0016020 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0017111 GO:0018144 GO:0019012 GO:0019028 GO:0019062 GO:0030430 GO:0030683 GO:0033644 GO:0034220 GO:0039503 GO:0039520 GO:0039522 GO:0039540 GO:0039544 GO:0039611 GO:0039618 GO:0039657 GO:0039690 GO:0039694 GO:0039707 GO:0044161 GO:0044162 GO:0044385 GO:0044694 GO:0046718 GO:0051259 GO:0075509
90.070.5564.340.130.863zx8C GO:0003723 GO:0005198 GO:0016032 GO:0019012 GO:0019028 GO:0039617
100.070.5754.340.090.871c8nC GO:0005198 GO:0019028 GO:0046872
110.070.5564.520.040.861eah3 GO:0000166 GO:0001172 GO:0003723 GO:0003724 GO:0003968 GO:0004197 GO:0004386 GO:0005198 GO:0005216 GO:0005524 GO:0006260 GO:0006351 GO:0006508 GO:0006810 GO:0006811 GO:0008233 GO:0008234 GO:0016020 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0017111 GO:0018144 GO:0019012 GO:0019028 GO:0019062 GO:0019065 GO:0030430 GO:0030683 GO:0033644 GO:0034220 GO:0039503 GO:0039520 GO:0039522 GO:0039540 GO:0039544 GO:0039611 GO:0039618 GO:0039657 GO:0039690 GO:0039694 GO:0039707 GO:0044161 GO:0044162 GO:0044385 GO:0044694 GO:0046718 GO:0051259 GO:0075509
120.070.5654.370.070.873dprC GO:0000166 GO:0001172 GO:0003723 GO:0003724 GO:0003968 GO:0004197 GO:0004386 GO:0005198 GO:0005216 GO:0005524 GO:0006260 GO:0006351 GO:0006508 GO:0006810 GO:0006811 GO:0008233 GO:0008234 GO:0016020 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0017111 GO:0018144 GO:0019012 GO:0019028 GO:0019062 GO:0030430 GO:0030683 GO:0033644 GO:0034220 GO:0039503 GO:0039520 GO:0039522 GO:0039540 GO:0039544 GO:0039611 GO:0039618 GO:0039657 GO:0039690 GO:0039694 GO:0039707 GO:0044161 GO:0044162 GO:0044385 GO:0044694 GO:0046718 GO:0051259 GO:0075509
130.070.5584.590.070.895cfcB GO:0000166 GO:0001172 GO:0003723 GO:0003724 GO:0003968 GO:0004197 GO:0004386 GO:0005198 GO:0005216 GO:0005524 GO:0006351 GO:0006508 GO:0006810 GO:0006811 GO:0008233 GO:0008234 GO:0016020 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0019012 GO:0019028 GO:0019030 GO:0019062 GO:0030430 GO:0033644 GO:0034220 GO:0039694 GO:0039707 GO:0044161 GO:0044162 GO:0044385 GO:0046718 GO:0051259
140.070.5924.270.060.893napC GO:0005198 GO:0019012 GO:0019028
150.070.5594.420.070.861cov3 GO:0000166 GO:0001172 GO:0003723 GO:0003724 GO:0003968 GO:0004197 GO:0004386 GO:0005198 GO:0005216 GO:0005524 GO:0006260 GO:0006351 GO:0006508 GO:0006810 GO:0006811 GO:0008233 GO:0008234 GO:0016020 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0017111 GO:0018144 GO:0019012 GO:0019028 GO:0019062 GO:0030430 GO:0030683 GO:0033644 GO:0034220 GO:0039503 GO:0039520 GO:0039522 GO:0039540 GO:0039544 GO:0039611 GO:0039618 GO:0039657 GO:0039690 GO:0039694 GO:0039707 GO:0044161 GO:0044162 GO:0044385 GO:0044694 GO:0046718 GO:0046872 GO:0051259 GO:0075509
160.070.5844.310.040.891b35C GO:0005198 GO:0019012 GO:0019028 GO:0030430
170.070.5594.420.080.861aym3 GO:0000166 GO:0001172 GO:0003723 GO:0003724 GO:0003968 GO:0004197 GO:0004386 GO:0005198 GO:0005216 GO:0005524 GO:0006260 GO:0006351 GO:0006508 GO:0006810 GO:0006811 GO:0008233 GO:0008234 GO:0016020 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0017111 GO:0018144 GO:0019012 GO:0019028 GO:0019062 GO:0030430 GO:0030683 GO:0033644 GO:0034220 GO:0039503 GO:0039520 GO:0039522 GO:0039540 GO:0039544 GO:0039611 GO:0039618 GO:0039657 GO:0039690 GO:0039694 GO:0039707 GO:0044161 GO:0044162 GO:0044385 GO:0044694 GO:0046718 GO:0051259 GO:0075509
180.070.5564.640.070.874bipC GO:0005198 GO:0019012 GO:0019028


Consensus prediction of GO terms
 
Molecular Function GO:0003676 GO:0004175 GO:0008234 GO:0034062 GO:0032550 GO:0017111 GO:0032559 GO:0035639
GO-Score 0.48 0.37 0.37 0.37 0.37 0.37 0.37 0.37
Biological Processes GO:0019538 GO:0019079 GO:0034645 GO:0039703 GO:0044033 GO:0010467 GO:0097659
GO-Score 0.37 0.37 0.37 0.37 0.37 0.37 0.37
Cellular Component GO:0044423 GO:0033643 GO:0044218
GO-Score 0.58 0.37 0.37

(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.