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I-TASSER results for job id Rv2613c

[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
10.54 53 1rzyA 5AS Rep, Mult 57,58,61,81,82,83,84,85,93,139,145,146,147,148,153,155
20.12 17 3r6fA ZN Rep, Mult 56,59,99,151
30.09 9 3o1cA ADN Rep, Mult 58,61,81,82,83,84,85,93,147,153,155
40.03 4 2fhiA IB2 Rep, Mult 82,83,93,135,136,137,139,147,148,153,155,157
50.02 3 3lb5D UNL Rep, Mult 58,67,68,81,82,83,84,93
60.01 2 5cs2A III Rep, Mult 87,135,137,139,143,144,145,147,155,157
70.01 1 1y23B MG Rep, Mult 190,193
80.01 2 3fitA A Rep, Mult 58,61,63,83,93,147
90.01 1 1fitA FRU Rep, Mult 128,129,130
100.01 1 3llj0 III Rep, Mult 87,103,108,112,113,116,119,134,135,136,137,138,139,140,142,143,144,155,160
110.01 1 1xmmB UUU Rep, Mult 72,74,79

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
10.0601f2oA0.3915.910.0730.7133.4.11.24NA
20.0601lgrA0.4275.690.0580.7336.3.1.2NA
30.0602hb6A0.4185.490.0730.7133.4.11.1123
40.0602vn7A0.3915.570.0310.6723.2.1.3191
50.0603eqoA0.3935.310.0580.6513.2.1.58155
60.0601g87B0.3615.620.0170.6513.2.1.4NA
70.0601htoA0.4225.500.0780.7136.3.1.2NA
80.0603l58A0.3855.900.0490.7283.4.23.46123
90.0602hb6B0.4185.490.0730.7133.4.11.1150
100.0602d3aA0.4025.870.0650.7186.3.1.2NA
110.0601bwkA0.3815.340.0840.6311.6.99.197
120.0602j1pB0.3874.920.1040.6052.5.1.1,2.5.1.10,2.5.1.29NA
130.0602dgmC0.3895.820.0480.6874.1.1.15NA
140.0601ileA0.3865.710.1040.7086.1.1.5NA
150.0601l2aE0.3885.560.0570.6823.2.1.491
160.0602w5vA0.3775.370.0430.6463.1.3.1184
170.0602qk5A0.3875.830.0630.7183.4.23.4687
180.0602zjiA0.3075.830.0720.5543.4.23.46NA
190.0601lf6A0.3565.840.0550.6563.2.1.3NA

(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
00.600.6682.140.810.733anoB GO:0000166 GO:0003824 GO:0003877 GO:0005524 GO:0005886 GO:0015967 GO:0016740 GO:0016779 GO:0040007
10.370.5622.990.190.673p0tA GO:0003824
20.330.5802.050.270.642fitA GO:0000166 GO:0003824 GO:0005634 GO:0005737 GO:0005739 GO:0005829 GO:0006163 GO:0006351 GO:0006355 GO:0006915 GO:0009117 GO:0016787 GO:0031625 GO:0032435 GO:0042802 GO:0047710 GO:0070062 GO:0072332
30.310.5792.750.240.673o0mA GO:0000166 GO:0003824 GO:0004081 GO:0016787 GO:0046872
40.290.4632.590.150.534njxA GO:0000166 GO:0003824 GO:0005730 GO:0005739 GO:0006629 GO:0006694 GO:0006915 GO:0016787
50.290.5812.420.190.663lb5C GO:0003824
60.280.4532.340.180.514zglD GO:0003824
70.280.5841.870.170.645cs2A GO:0003824 GO:0008270 GO:0016787 GO:0047710
80.280.4602.450.160.543n1sJ GO:0000166 GO:0003824 GO:0005829 GO:0016787 GO:0043530 GO:0055130
90.260.4652.770.160.541xquB GO:0003824
100.230.6012.610.240.682eo4A GO:0003824 GO:0046872
110.210.7871.060.990.813anoA GO:0000166 GO:0003824 GO:0003877 GO:0005524 GO:0005886 GO:0015967 GO:0016740 GO:0016779 GO:0040007
120.130.5072.230.210.561y23B GO:0003824
130.070.4992.510.190.563ksvA GO:0003824 GO:0046872
140.070.5072.280.200.563imiA GO:0003824 GO:0046872
150.070.4672.090.140.523r6fA GO:0003824 GO:0046872
160.070.4875.030.030.782pffA GO:0000287 GO:0003824 GO:0004312 GO:0004315 GO:0004316 GO:0004321 GO:0005829 GO:0005835 GO:0006629 GO:0006631 GO:0006633 GO:0008152 GO:0008897 GO:0016491 GO:0016740 GO:0042759 GO:0046872 GO:0055114 GO:0102132
170.060.3655.300.070.611t0uA GO:0003824 GO:0004850 GO:0005737 GO:0005829 GO:0006974 GO:0009116 GO:0009166 GO:0016020 GO:0016740 GO:0016757 GO:0016763 GO:0042802 GO:0044206
180.060.3045.730.060.532b4qA GO:0004316 GO:0016491 GO:0055114 GO:0102132
190.060.3815.250.050.642hn9A GO:0003824 GO:0004850 GO:0005737 GO:0009116 GO:0009166 GO:0016740 GO:0016757 GO:0016763 GO:0044206
200.060.3715.320.070.615elpC GO:0003824 GO:0008152 GO:0031177
210.060.3566.020.040.673hhdC GO:0001649 GO:0003824 GO:0004312 GO:0004313 GO:0004314 GO:0004315 GO:0004316 GO:0004317 GO:0004319 GO:0004320 GO:0005737 GO:0005739 GO:0005794 GO:0005829 GO:0005886 GO:0005913 GO:0006084 GO:0006629 GO:0006631 GO:0006633 GO:0008144 GO:0008152 GO:0009058 GO:0015939 GO:0016020 GO:0016295 GO:0016296 GO:0016297 GO:0016491 GO:0016740 GO:0016787 GO:0016788 GO:0016829 GO:0019171 GO:0030879 GO:0031177 GO:0031325 GO:0035338 GO:0042470 GO:0042587 GO:0042802 GO:0042803 GO:0044822 GO:0047117 GO:0047451 GO:0055114 GO:0070062 GO:0070402 GO:0071353 GO:0098609 GO:0098641 GO:0102132
220.060.3535.400.060.615bp1A GO:0003824 GO:0008152 GO:0016491 GO:0016740 GO:0016746 GO:0031177 GO:0050111 GO:0055114
230.060.3745.170.060.591xg5C GO:0005576 GO:0016491 GO:0055114
240.060.3675.720.040.672c9hA GO:0003824 GO:0004315 GO:0005737 GO:0005739 GO:0006629 GO:0006631 GO:0006633 GO:0006637 GO:0008152 GO:0016740 GO:0016746 GO:0016747 GO:0051790 GO:0051792
250.060.3285.570.060.535cdyA GO:0004316 GO:0006633 GO:0016491 GO:0051287 GO:0055114 GO:0102132
260.060.3445.640.040.592gqdA GO:0003824 GO:0006629 GO:0006631 GO:0006633 GO:0008152 GO:0016740 GO:0016746 GO:0016747 GO:0033817
270.060.3745.610.040.663e60A GO:0003824 GO:0006633 GO:0008152 GO:0016740 GO:0016746 GO:0016747 GO:0033817
280.060.3315.580.080.561i01C GO:0004316 GO:0005829 GO:0006629 GO:0006631 GO:0006633 GO:0008610 GO:0009102 GO:0016491 GO:0030497 GO:0042802 GO:0046872 GO:0050661 GO:0051287 GO:0055114 GO:0102132
290.060.3695.570.070.621g0oC GO:0016491 GO:0042438 GO:0047039 GO:0055114
300.060.3825.660.040.684wkyA GO:0003824 GO:0008152 GO:0031177
310.060.3555.560.050.642hg4D GO:0003824 GO:0008152 GO:0009058 GO:0016740 GO:0016746 GO:0016788 GO:0017000 GO:0031177 GO:0033068 GO:0047879 GO:0048037
320.060.3456.150.060.663oytA GO:0003824 GO:0004315 GO:0008152 GO:0016740 GO:0016746
330.060.3335.670.050.581b3nA GO:0003824 GO:0004315 GO:0005829 GO:0006629 GO:0006631 GO:0006633 GO:0008152 GO:0016740 GO:0016746 GO:0016747 GO:0033817
340.060.3565.940.050.651tqyA GO:0003824 GO:0008152 GO:0016740 GO:0016746 GO:0017000


Consensus prediction of GO terms
 
Molecular Function GO:0005524 GO:0003877 GO:0031625 GO:0047710 GO:0042802 GO:0046872 GO:0004081
GO-Score 0.60 0.60 0.33 0.33 0.33 0.31 0.31
Biological Processes GO:0015967 GO:0040007 GO:0008202 GO:0008610 GO:0032435 GO:0072332 GO:0006163 GO:0006355
GO-Score 0.60 0.60 0.58 0.58 0.33 0.33 0.33 0.33
Cellular Component GO:0005886 GO:0043232 GO:0031981 GO:0005739 GO:0005829 GO:0070062
GO-Score 0.60 0.58 0.58 0.52 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.