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I-TASSER results for job id Rv1040c

[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 2ckjA FES Rep, Mult 54,58,59,62,270
20.04 2 1gzmA C8E Rep, Mult 77,80
30.04 2 1gsaA MG Rep, Mult 45,46
40.04 2 1i4d1 III Rep, Mult 12,15,18,19,22,23,25,26,27,29,30,91,94,98,101,102
50.04 2 2ckjC FES Rep, Mult 29,30,32,81,84
60.04 2 1izlL CLA Rep, Mult 18,97,101
70.04 2 3zprA 2CV Rep, Mult 47,62,63,66,69
80.02 1 2fkwF BCL Rep, Mult 75,76
90.02 1 1tkoB FE Rep, Mult 52,55
100.02 1 1i4d0 III Rep, Mult 13,14,20,24,27,30,34,37,62,63,68,69,71,72,75,79,238,239,241,242
110.02 1 2wscJ CLA Rep, Mult 29,45,49,50
120.02 1 1pprM PID Rep, Mult 93,97
130.02 1 1izlB CLA Rep, Mult 21,43,48
140.02 1 3oibA IOD Rep, Mult 21,24,244
150.02 1 2r05A III Rep, Mult 25,79,86,87,243,246,247
160.02 1 3vh7E MG Rep, Mult 26,29
170.02 1 3wmgA DMU Rep, Mult 28,32
180.02 1 2ckjD FES Rep, Mult 21,22,25,89,90,91

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
10.0601o9iA0.3954.930.0650.5711.11.1.630
20.0603b8cA0.3905.620.0290.6253.6.3.6NA
30.0603cf4A0.3885.740.0540.6001.2.99.2NA
40.0601e1yA0.2896.800.0310.5242.4.1.1NA
50.0603gtdA0.3775.510.0610.5714.2.1.2NA
60.0601yfeA0.3875.640.0500.6004.2.1.2NA
70.0601jswB0.3745.710.0550.5894.3.1.1NA
80.0603b9jJ0.2375.880.0520.3861.17.1.4,1.17.3.224,84,89
90.0602v8tA0.3745.320.1220.5641.11.1.6NA
100.0603c46B0.3256.030.0700.5342.7.7.6237
110.0601fo4A0.4436.150.0340.7531.17.1.4NA
120.0603b9jI0.1795.470.0360.2761.17.1.4,1.17.3.280,89
130.0602iw5A0.3844.390.0470.4981.-.-.-NA
140.0601dcnB0.3396.560.0690.6114.3.2.1NA
150.0601jkuA0.3965.050.0640.5751.11.1.691
160.0602cseW0.3746.310.0590.6333.6.4.13NA
170.0603b8cB0.3905.620.0290.6253.6.3.639,43,69
180.0602qllA0.3796.050.0650.6292.4.1.15
190.0601serB0.2865.040.0520.4186.1.1.11NA

(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
00.190.7164.500.090.962vsgA GO:0005886 GO:0016020 GO:0020012 GO:0031225
10.130.7153.920.100.921vsgA GO:0005886 GO:0016020 GO:0020012 GO:0031225
20.070.5074.200.060.685jdoA GO:0016020 GO:0016021
30.070.4504.740.040.622z0vA GO:0005737 GO:0005768 GO:0005769 GO:0006897 GO:0007165 GO:0007417 GO:0008289 GO:0016020 GO:0031901 GO:0042802 GO:0070062
40.070.4744.420.070.632d4cB GO:0000139 GO:0002090 GO:0005737 GO:0005829 GO:0005886 GO:0006897 GO:0007018 GO:0007165 GO:0007417 GO:0008289 GO:0016020 GO:0019886 GO:0030669 GO:0042059 GO:0042802 GO:0048488 GO:0070062
50.070.4674.720.030.644iwoA GO:0000166 GO:0002218 GO:0002376 GO:0003676 GO:0004672 GO:0004674 GO:0005524 GO:0005737 GO:0005829 GO:0006468 GO:0006954 GO:0007249 GO:0009615 GO:0010008 GO:0010629 GO:0016032 GO:0016301 GO:0016310 GO:0016740 GO:0018105 GO:0032480 GO:0032481 GO:0032606 GO:0032727 GO:0032728 GO:0033138 GO:0035666 GO:0043123 GO:0044565 GO:0045087 GO:0045359 GO:0045944 GO:0050830 GO:0051219 GO:0051607 GO:1901214 GO:1904417
60.060.4464.710.080.612d4yA GO:0005198 GO:0005576 GO:0009288 GO:0009424 GO:0044780 GO:0071973
70.060.4744.790.090.674ut1A GO:0005198 GO:0009424 GO:0044780
80.060.3146.040.040.521lpfA GO:0004148 GO:0005737 GO:0006096 GO:0016491 GO:0016668 GO:0045454 GO:0050660 GO:0055114
90.060.4654.110.040.604iw0A GO:0000166 GO:0002218 GO:0002376 GO:0003676 GO:0004672 GO:0004674 GO:0005524 GO:0005737 GO:0005829 GO:0006468 GO:0006954 GO:0007249 GO:0009615 GO:0010008 GO:0010629 GO:0016032 GO:0016301 GO:0016310 GO:0016740 GO:0018105 GO:0032480 GO:0032481 GO:0032606 GO:0032727 GO:0032728 GO:0033138 GO:0035666 GO:0043123 GO:0044565 GO:0045087 GO:0045359 GO:0045944 GO:0050830 GO:0051219 GO:0051607 GO:1901214 GO:1904417
100.060.2486.420.060.443kx6A GO:0003824 GO:0004332 GO:0006096 GO:0016829
110.060.2777.010.050.534xifA GO:0000123 GO:0000791 GO:0001933 GO:0001934 GO:0005547 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005829 GO:0005886 GO:0006041 GO:0006110 GO:0006486 GO:0006493 GO:0006915 GO:0007165 GO:0007584 GO:0008047 GO:0008134 GO:0008289 GO:0008375 GO:0010628 GO:0010801 GO:0016020 GO:0016262 GO:0016568 GO:0016740 GO:0016757 GO:0019904 GO:0030854 GO:0030900 GO:0031397 GO:0032868 GO:0032869 GO:0032922 GO:0033137 GO:0035020 GO:0042277 GO:0042588 GO:0043005 GO:0043025 GO:0043085 GO:0043981 GO:0043982 GO:0043984 GO:0043995 GO:0043996 GO:0045793 GO:0045862 GO:0045944 GO:0046626 GO:0046972 GO:0048015 GO:0048029 GO:0048312 GO:0048511 GO:0051571 GO:0060548 GO:0061087 GO:0070207 GO:0070208 GO:0070688 GO:0071222 GO:0071300 GO:0071333 GO:0080182 GO:0090315 GO:0090526 GO:0097237 GO:0097363 GO:1900038 GO:1900182 GO:1903428
120.060.2496.270.060.431gveA GO:0004032 GO:0004033 GO:0005737 GO:0009636 GO:0016491 GO:0046222 GO:0046223 GO:0055114
130.060.3125.350.040.484xtrA GO:0000166 GO:0000750 GO:0005085 GO:0005524 GO:0005737 GO:0005783 GO:0005794 GO:0006620 GO:0006810 GO:0006890 GO:0009408 GO:0010038 GO:0016192 GO:0016787 GO:0016887 GO:0042802 GO:0043529 GO:0043547 GO:0045048 GO:0046685 GO:0046872 GO:0051082 GO:1990507
140.060.2806.320.040.491gveB GO:0004032 GO:0004033 GO:0005737 GO:0009636 GO:0016491 GO:0046222 GO:0046223 GO:0055114
150.060.3125.650.060.492wssA GO:0000166 GO:0005524 GO:0005739 GO:0005743 GO:0005753 GO:0005886 GO:0006754 GO:0006810 GO:0006811 GO:0015986 GO:0015991 GO:0015992 GO:0016020 GO:0016820 GO:0033178 GO:0045261 GO:0046034 GO:0046933 GO:0046961
160.060.2316.020.020.391w3bA GO:0000123 GO:0000791 GO:0001933 GO:0001934 GO:0005547 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005829 GO:0005886 GO:0006041 GO:0006110 GO:0006486 GO:0006493 GO:0006915 GO:0007165 GO:0007584 GO:0008047 GO:0008134 GO:0008289 GO:0008375 GO:0010628 GO:0010801 GO:0016020 GO:0016262 GO:0016568 GO:0016740 GO:0016757 GO:0019904 GO:0030854 GO:0030900 GO:0031397 GO:0032868 GO:0032869 GO:0032922 GO:0033137 GO:0035020 GO:0042277 GO:0042588 GO:0043005 GO:0043025 GO:0043085 GO:0043981 GO:0043982 GO:0043984 GO:0043995 GO:0043996 GO:0045793 GO:0045862 GO:0045944 GO:0046626 GO:0046972 GO:0048015 GO:0048029 GO:0048312 GO:0048511 GO:0051571 GO:0060548 GO:0061087 GO:0070207 GO:0070208 GO:0070688 GO:0071222 GO:0071300 GO:0071333 GO:0080182 GO:0090315 GO:0090526 GO:0097237 GO:0097363 GO:1900038 GO:1900182 GO:1903428
170.060.2356.080.050.393jckF GO:0000502 GO:0005198 GO:0005634 GO:0005829 GO:0006511 GO:0008541 GO:0034515 GO:0043248
180.060.2295.960.040.371ihoA GO:0000166 GO:0003824 GO:0004592 GO:0005524 GO:0005737 GO:0005829 GO:0009058 GO:0015940 GO:0016874 GO:0033317 GO:0042802


Consensus prediction of GO terms
 
Molecular Function GO:0008289 GO:0042802
GO-Score 0.13 0.13
Biological Processes GO:0030682 GO:0051805 GO:0052572
GO-Score 0.60 0.60 0.60
Cellular Component GO:0031224 GO:0005886
GO-Score 0.48 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.