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I-TASSER results for job id Rv0460

[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
10.10 7 3arch CLA Rep, Mult 31,34,35
20.08 6 4brbD 78N Rep, Mult 36,39,43,44,47,48
30.07 5 5d57B 78M Rep, Mult 4,7,8,37,40,44,69,72,76,77
40.05 3 2rcrL BPH Rep, Mult 31,35,39,67
50.05 4 1vf5S III Rep, Mult 44,45
60.04 3 3b71B III Rep, Mult 6,10,13,34,37,38,41,42,44
70.03 2 2axtH CLA Rep, Mult 53,55,56
80.03 2 2q7mB 2CS Rep, Mult 10,12,13,14,16,17,33
90.03 2 5d6lA CLR Rep, Mult 7,11,15,29,32,69
100.03 2 1eoiA MOO Rep, Mult 19,24,42,47,48,49
110.02 1 5ezmA MPG Rep, Mult 33,76
120.01 1 2xtvA MC3 Rep, Mult 23,62,63,66
130.01 1 2xptA K Rep, Mult 20,23,24,25

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
10.0661a91A0.5302.280.0820.7093.6.3.14NA
20.0662w5jA0.5272.820.0470.7343.6.3.14NA
30.0602fonB0.5923.170.1050.8991.3.3.643
40.0602occN0.6182.990.0380.9491.9.3.1NA
50.0601yfmA0.6303.290.0780.9754.2.1.2NA
60.0602z1qB0.6093.090.1280.9491.3.99.3NA
70.0603lmdA0.6153.170.0650.9372.5.1.3010
80.0601jtnA0.3692.980.0420.5573.2.1.17NA
90.0601jswB0.6273.080.0930.9494.3.1.1NA
100.0601m56A0.5992.680.0790.8861.9.3.1NA
110.0603c20B0.5972.930.0550.9242.7.2.475
120.0602h8aA0.6082.930.0530.9372.5.1.1833,41,44
130.0602ix6E0.6243.210.1150.9871.3.3.668
140.0602wpnB0.5913.300.0270.8991.12.7.2NA
150.0603dwwA0.6183.060.1150.9625.3.99.33,69
160.0601k04A0.5943.230.0530.9622.7.10.23,6,10,72
170.0601occA0.6183.000.0380.9491.9.3.1NA
180.0602qb0B0.3614.200.0590.6463.2.1.17NA
190.0603gtdA0.6303.140.0670.9494.2.1.2NA
200.0602pnoL0.6642.640.0780.9624.4.1.2072
210.0603bhgA0.6352.890.0950.9244.3.2.240

(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
00.180.7152.640.080.993s84B GO:0001523 GO:0002227 GO:0005319 GO:0005507 GO:0005576 GO:0005615 GO:0005769 GO:0005788 GO:0005829 GO:0006695 GO:0006810 GO:0006869 GO:0006982 GO:0007159 GO:0008203 GO:0008289 GO:0009986 GO:0010873 GO:0010898 GO:0015485 GO:0016209 GO:0017127 GO:0019430 GO:0030300 GO:0031102 GO:0031210 GO:0032374 GO:0033344 GO:0033700 GO:0034361 GO:0034364 GO:0034371 GO:0034372 GO:0034375 GO:0034378 GO:0034380 GO:0034445 GO:0035634 GO:0042157 GO:0042158 GO:0042627 GO:0042632 GO:0042744 GO:0042803 GO:0043691 GO:0044240 GO:0044267 GO:0045723 GO:0046470 GO:0051006 GO:0055088 GO:0060228 GO:0065005 GO:0070062 GO:0070328 GO:0072562
10.160.7501.900.170.965f15A GO:0016020 GO:0016021 GO:0016740
20.130.5823.330.060.992a01A GO:0001523 GO:0001540 GO:0001932 GO:0001935 GO:0002576 GO:0002740 GO:0005319 GO:0005543 GO:0005548 GO:0005576 GO:0005615 GO:0005634 GO:0005769 GO:0005788 GO:0005829 GO:0005886 GO:0006629 GO:0006644 GO:0006656 GO:0006695 GO:0006810 GO:0006869 GO:0006898 GO:0007179 GO:0007186 GO:0007229 GO:0007584 GO:0008035 GO:0008202 GO:0008203 GO:0008211 GO:0008289 GO:0009986 GO:0010804 GO:0010873 GO:0010898 GO:0010903 GO:0014012 GO:0015485 GO:0015914 GO:0017127 GO:0018158 GO:0018206 GO:0019433 GO:0019899 GO:0019915 GO:0030139 GO:0030300 GO:0030301 GO:0030325 GO:0031100 GO:0031102 GO:0031210 GO:0031410 GO:0032489 GO:0033344 GO:0033700 GO:0034115 GO:0034190 GO:0034191 GO:0034361 GO:0034364 GO:0034365 GO:0034366 GO:0034375 GO:0034380 GO:0034384 GO:0034774 GO:0035025 GO:0042157 GO:0042158 GO:0042493 GO:0042627 GO:0042632 GO:0042802 GO:0043534 GO:0043627 GO:0043691 GO:0044267 GO:0045499 GO:0045723 GO:0050713 GO:0050728 GO:0050821 GO:0050919 GO:0051006 GO:0051180 GO:0051345 GO:0051346 GO:0051496 GO:0055085 GO:0055091 GO:0055102 GO:0060192 GO:0060228 GO:0060354 GO:0060761 GO:0070062 GO:0070328 GO:0070371 GO:0070508 GO:0070653 GO:0071682 GO:0071813 GO:0072562 GO:1900026 GO:1903561
30.110.5473.600.000.954atmA GO:0005086 GO:0005543 GO:0005737 GO:0005802 GO:0005856 GO:0006897 GO:0007268 GO:0008021 GO:0015629 GO:0016020 GO:0030054 GO:0030672 GO:0031256 GO:0031410 GO:0043547 GO:0045202
40.090.4883.960.040.912ficB GO:0005634 GO:0005737 GO:0006897 GO:0006997 GO:0007275 GO:0008283 GO:0015629 GO:0016020 GO:0016032 GO:0030018 GO:0030100 GO:0030154 GO:0030315 GO:0030424 GO:0031674 GO:0033268 GO:0042692 GO:0042802 GO:0043065 GO:0043194 GO:0045664 GO:0048156 GO:0048711 GO:0051015 GO:0060987 GO:0060988 GO:0070063 GO:0071156
50.080.5603.390.070.874cmyB GO:0005737 GO:0006826 GO:0006879 GO:0008199 GO:0046872
60.070.6442.880.010.992lemA GO:0001523 GO:0001540 GO:0001932 GO:0001935 GO:0002740 GO:0005319 GO:0005543 GO:0005548 GO:0005576 GO:0005615 GO:0005634 GO:0005829 GO:0006629 GO:0006644 GO:0006656 GO:0006695 GO:0006810 GO:0006869 GO:0006898 GO:0007186 GO:0007229 GO:0007584 GO:0008035 GO:0008104 GO:0008202 GO:0008203 GO:0008211 GO:0008289 GO:0009986 GO:0010804 GO:0010873 GO:0010898 GO:0010903 GO:0015485 GO:0015914 GO:0017127 GO:0018158 GO:0018206 GO:0019433 GO:0019899 GO:0019915 GO:0030139 GO:0030300 GO:0030301 GO:0030325 GO:0031100 GO:0031103 GO:0031210 GO:0031410 GO:0032489 GO:0033344 GO:0033700 GO:0034115 GO:0034190 GO:0034191 GO:0034361 GO:0034364 GO:0034365 GO:0034366 GO:0034372 GO:0034375 GO:0034380 GO:0035025 GO:0042157 GO:0042158 GO:0042493 GO:0042627 GO:0042632 GO:0042802 GO:0043534 GO:0043627 GO:0043691 GO:0045499 GO:0045723 GO:0046470 GO:0050713 GO:0050728 GO:0050821 GO:0050919 GO:0051006 GO:0051180 GO:0051345 GO:0051346 GO:0051496 GO:0055091 GO:0055102 GO:0060192 GO:0060228 GO:0060354 GO:0060761 GO:0070062 GO:0070328 GO:0070508 GO:0070653 GO:0071813 GO:0072562 GO:1900026 GO:1903561
70.070.5973.370.040.991ya9A GO:0001523 GO:0001540 GO:0001937 GO:0002021 GO:0005319 GO:0005543 GO:0005576 GO:0005615 GO:0005634 GO:0005783 GO:0005794 GO:0005829 GO:0005886 GO:0006629 GO:0006641 GO:0006695 GO:0006707 GO:0006810 GO:0006869 GO:0006874 GO:0006898 GO:0006979 GO:0007186 GO:0007263 GO:0008104 GO:0008201 GO:0008203 GO:0008289 GO:0010468 GO:0010544 GO:0010873 GO:0010875 GO:0015485 GO:0015909 GO:0016020 GO:0016209 GO:0017038 GO:0017127 GO:0019068 GO:0019433 GO:0019934 GO:0030195 GO:0030516 GO:0030828 GO:0031012 GO:0031103 GO:0032374 GO:0032489 GO:0032805 GO:0033344 GO:0033700 GO:0034361 GO:0034362 GO:0034363 GO:0034364 GO:0034372 GO:0034374 GO:0034375 GO:0034380 GO:0034382 GO:0034384 GO:0034447 GO:0042157 GO:0042158 GO:0042159 GO:0042311 GO:0042627 GO:0042632 GO:0042802 GO:0042803 GO:0043407 GO:0043524 GO:0043537 GO:0043691 GO:0044794 GO:0045541 GO:0046889 GO:0046911 GO:0048156 GO:0048844 GO:0050728 GO:0050750 GO:0051000 GO:0051044 GO:0051055 GO:0051651 GO:0055088 GO:0055089 GO:0060228 GO:0060999 GO:0061000 GO:0070062 GO:0070326 GO:0071813 GO:0072358 GO:0072562 GO:0090370 GO:0097113 GO:0097114 GO:0098869 GO:1900221 GO:1901214 GO:1901215 GO:1901216 GO:1901627 GO:1901628 GO:1901630 GO:1901631 GO:1902004 GO:1902430 GO:1902947 GO:1902951 GO:1902952 GO:1902995 GO:1902998 GO:1902999 GO:1903001 GO:1903002 GO:1903561
80.070.4963.270.030.815bqnA GO:0004222 GO:0005576 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0008320 GO:0009405 GO:0016020 GO:0016021 GO:0016787 GO:0020002 GO:0030430 GO:0033644 GO:0044156 GO:0044164 GO:0044221 GO:0044231 GO:0046872 GO:0050827 GO:0051609 GO:0071806
90.070.6132.890.080.952rajA GO:0000281 GO:0001726 GO:0005545 GO:0005737 GO:0005768 GO:0005794 GO:0005802 GO:0005886 GO:0005913 GO:0006810 GO:0006886 GO:0006897 GO:0006898 GO:0007049 GO:0007067 GO:0008289 GO:0015031 GO:0016020 GO:0016023 GO:0016050 GO:0016197 GO:0030136 GO:0030659 GO:0031234 GO:0031410 GO:0031625 GO:0032461 GO:0035091 GO:0036089 GO:0042803 GO:0042995 GO:0043547 GO:0045860 GO:0051044 GO:0051301 GO:0060988 GO:0070062 GO:0071933 GO:0097320 GO:0098609 GO:0098641
100.070.4934.200.040.973g9gA GO:0000144 GO:0000147 GO:0001400 GO:0004857 GO:0005934 GO:0005935 GO:0006897 GO:0007049 GO:0032185 GO:0042802 GO:0043086 GO:0061645
110.070.3783.810.030.714dziC GO:0016787
120.070.6772.700.070.971uruA GO:0005543 GO:0005737 GO:0005829 GO:0005886 GO:0006887 GO:0006897 GO:0006937 GO:0007269 GO:0008104 GO:0032154 GO:0042052 GO:0045202 GO:0045313 GO:0048488 GO:0098793
130.070.4882.870.100.732mxcA GO:0005737 GO:0005768 GO:0005769 GO:0005829 GO:0006810 GO:0008289 GO:0009617 GO:0010008 GO:0010314 GO:0010324 GO:0010976 GO:0015031 GO:0016055 GO:0019898 GO:0019903 GO:0022615 GO:0030111 GO:0030136 GO:0030904 GO:0031410 GO:0031901 GO:0032009 GO:0032266 GO:0035091 GO:0042177 GO:0045335 GO:0046597 GO:0050765 GO:0051224 GO:0070062 GO:0070273 GO:0070676 GO:0080025 GO:2000642
140.070.6533.050.051.004avmA GO:0001891 GO:0002102 GO:0005543 GO:0005737 GO:0005886 GO:0005938 GO:0006911 GO:0016020 GO:0030054 GO:0042995 GO:0060326 GO:0071800 GO:0097320
150.070.4473.510.120.763drwA GO:0000287 GO:0005737 GO:0005975 GO:0006000 GO:0006096 GO:0008443 GO:0016301 GO:0016310 GO:0016740 GO:0016773 GO:0043844 GO:0046835 GO:0046872
160.070.3972.970.080.572w5vA GO:0003824 GO:0008152 GO:0016311 GO:0016791 GO:0046872
170.070.3894.010.030.662cskA GO:0005769 GO:0006810 GO:0008289 GO:0010629 GO:0010955 GO:0015031 GO:0016020 GO:0016050 GO:0019898 GO:0019899 GO:0030100 GO:0035091 GO:0042177 GO:0051224 GO:0070062 GO:2000642
180.070.4582.920.000.684hasA GO:0001770 GO:0001772 GO:0005654 GO:0005737 GO:0005768 GO:0005769 GO:0005829 GO:0006810 GO:0006886 GO:0007165 GO:0008289 GO:0008333 GO:0015031 GO:0016020 GO:0016197 GO:0030904 GO:0031901 GO:0032266 GO:0035091 GO:0042493 GO:0071203 GO:1990126


Consensus prediction of GO terms		 
Molecular Function GO:0015248 GO:0070405 GO:0032934 GO:0008047 GO:0043178 GO:0046914 GO:0046983
GO-Score 0.57 0.57 0.57 0.57 0.57 0.36 0.36
Biological Processes GO:0008203 GO:0045940 GO:0019538 GO:0032374 GO:0016126 GO:0050996 GO:0015914 GO:0034645 GO:0031328 GO:0055090 GO:0045923 GO:1904729 GO:0061365 GO:1902653 GO:0010896 GO:0031099 GO:0042304 GO:0051004 GO:0010872 GO:0055092 GO:0046889 GO:0030299 GO:0031331 GO:0034377 GO:0031175 GO:0016101 GO:0090208 GO:0016192 GO:0044243 GO:0097164 GO:0045087 GO:0098869 GO:0034370 GO:0034443 GO:0071451 GO:0042743 GO:0006801 GO:0016337 GO:0014070 GO:0034444 GO:0002385 GO:0033194
GO-Score 0.57 0.57 0.57 0.57 0.57 0.57 0.57 0.57 0.57 0.57 0.57 0.57 0.57 0.57 0.57 0.57 0.57 0.57 0.57 0.57 0.57 0.57 0.57 0.57 0.57 0.57 0.57 0.37 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36
Cellular Component GO:0070013 GO:0031988 GO:1903561 GO:0034385 GO:0044432 GO:0005768 GO:0097708 GO:0005856 GO:0016020
GO-Score 0.57 0.57 0.57 0.57 0.57 0.57 0.45 0.37 0.32

(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.