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I-TASSER results for job id Rv0236A

[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
10.11 108 1ogvH CDL Rep, Mult 15,16,19,20,23
20.11 117 4pj0h CLA Rep, Mult 16,19,20,23,24
30.11 116 3wmm6 CRT Rep, Mult 7,8,11,12,15,16
40.08 82 3wmnG BCL Rep, Mult 19,22,23,26,27,30
50.05 57 3wmmW CRT Rep, Mult 25,26,29,30
60.04 42 2e75E OPC Rep, Mult 7,8,11,12
70.04 38 1uvhA FE Rep, Mult 28,31,32
80.04 39 3wmoJ BCL Rep, Mult 19,20,23,24,27,28,31,36
90.03 32 4uxzB 79M Rep, Mult 23,27,28,31,32
100.02 20 2c9nZ NUC Rep, Mult 2,6,9,10,11,13
110.00 1 2hi2A OPE Rep, Mult 44,45
120.00 1 2axtA MGE Rep, Mult 46,49
130.00 2 3lsmA SO3 Rep, Mult 50,54
140.00 1 2nw8B TRP Rep, Mult 24,28,53

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
10.1593brvC0.4931.510.1540.5612.7.11.10NA
20.1191z8yN0.4681.380.1210.5793.4.21.90NA
30.0602x6fA0.6243.110.0000.9472.7.1.137,2.7.1.153,2.7.1.15419
40.0603hm8A0.6602.640.0730.9122.7.1.1NA
50.0602wbiB0.6182.550.0360.8601.3.99.-19
60.0601v4tA0.6132.860.0550.9122.7.1.2,2.7.1.1NA
70.0603ihyC0.6612.720.0190.9472.7.1.13723
80.0603g61A0.6352.680.1050.9303.6.3.44NA
90.0601wy2A0.6342.770.0530.9473.4.13.9NA
100.0601y1nA0.6322.790.0530.9303.4.11.1852
110.0601o0xA0.6162.540.0710.9123.4.11.1852
120.0604matA0.6232.360.0700.9303.4.11.1852
130.0603ctzA0.6582.580.0550.9653.4.11.9NA
140.0602rd0A0.6192.760.0560.9472.7.1.153NA
150.0601r58A0.6122.900.0000.9833.4.11.18NA
160.0601b0pA0.6042.910.0540.8951.2.7.1NA
170.0602a4zA0.5802.840.0570.9302.7.1.153NA
180.0603c2wC0.6192.410.0710.8772.7.13.3NA
190.0603f9mA0.6382.790.0550.9122.7.1.2NA
200.0603e08A0.6443.240.1430.9651.13.11.11NA
210.0602nztA0.6612.680.0550.9122.7.1.1NA

(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
00.210.4801.010.030.542g9jA GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0003779 GO:0005634 GO:0005667 GO:0005737 GO:0005856 GO:0006351 GO:0006355 GO:0006366 GO:0006936 GO:0008652 GO:0010691 GO:0030049 GO:0030336 GO:0031529 GO:0032781 GO:0042060 GO:0042802 GO:0042803 GO:0043234 GO:0043462 GO:0043565 GO:0045785 GO:0045899 GO:0047485 GO:0051015 GO:0051496 GO:0051693 GO:0060048 GO:0060261 GO:1903833
10.200.4820.780.130.532nrnA GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
20.190.5361.130.070.601gk6A GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0001948 GO:0003677 GO:0003682 GO:0003700 GO:0003725 GO:0005198 GO:0005200 GO:0005212 GO:0005634 GO:0005667 GO:0005737 GO:0005777 GO:0005829 GO:0005856 GO:0005882 GO:0005886 GO:0005925 GO:0006351 GO:0006355 GO:0006366 GO:0006928 GO:0008022 GO:0008652 GO:0010628 GO:0010691 GO:0010977 GO:0014002 GO:0016032 GO:0030049 GO:0031012 GO:0031252 GO:0042802 GO:0042995 GO:0043005 GO:0043565 GO:0045103 GO:0045109 GO:0045111 GO:0045899 GO:0060020 GO:0060261 GO:0060395 GO:0070062 GO:0070307 GO:0097110 GO:1903833 GO:1990254
30.140.5011.520.090.583gjpA GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
40.120.6762.640.051.003l24B GO:0004063 GO:0006508 GO:0008233 GO:0008235 GO:0008237 GO:0009636 GO:0016311 GO:0016787 GO:0016795 GO:0016805 GO:0046872 GO:0047862 GO:0102009
50.120.5340.750.030.581w5jA GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
60.110.6902.540.050.985ae9A GO:0000166 GO:0001782 GO:0002250 GO:0002376 GO:0005524 GO:0005737 GO:0005886 GO:0005942 GO:0006935 GO:0006954 GO:0007166 GO:0010628 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0030154 GO:0030335 GO:0035005 GO:0036092 GO:0042113 GO:0045087 GO:0046854 GO:0046934 GO:0048015 GO:0048872 GO:0050832
70.110.4891.480.060.541untB GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
80.110.6772.590.040.984zwuA GO:0004063 GO:0006508 GO:0008233 GO:0008235 GO:0008237 GO:0009636 GO:0016311 GO:0016787 GO:0016795 GO:0016805 GO:0046872 GO:0047862 GO:0102009
90.110.5070.870.060.562hy6D GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
100.100.6692.610.021.004qr8A GO:0005829 GO:0006508 GO:0008233 GO:0008235 GO:0008237 GO:0016787 GO:0016795 GO:0016805 GO:0030145 GO:0043171 GO:0046872 GO:0070573 GO:0102009
110.100.6622.600.070.984s2rP GO:0004177 GO:0006508 GO:0016787 GO:0046872
120.100.4721.460.160.543i1gA GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
130.100.5060.940.150.563ck4C GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
140.100.6732.710.070.953bitA GO:0000790 GO:0003682 GO:0005634 GO:0005658 GO:0005694 GO:0006260 GO:0006261 GO:0006281 GO:0006334 GO:0006351 GO:0006355 GO:0006368 GO:0006974 GO:0008023 GO:0031298 GO:0031491 GO:0034724 GO:0035101 GO:0042393 GO:0045899 GO:0060261
150.090.5081.210.090.562ipzA GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
160.090.4991.440.000.561ce9A GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
170.090.6592.810.090.982y3aA GO:0000166 GO:0001935 GO:0001952 GO:0005524 GO:0005634 GO:0005730 GO:0005737 GO:0005886 GO:0005942 GO:0006874 GO:0006897 GO:0006914 GO:0007155 GO:0007156 GO:0009611 GO:0010628 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0030168 GO:0031526 GO:0035005 GO:0036092 GO:0040016 GO:0043560 GO:0045171 GO:0046854 GO:0046934 GO:0048015 GO:0060055
180.090.6422.300.070.914c7rA GO:0005215 GO:0005886 GO:0006810 GO:0016020 GO:0016021 GO:0042802
190.080.6582.580.060.963ctzA GO:0004177 GO:0005737 GO:0006508 GO:0008233 GO:0008237 GO:0010815 GO:0016787 GO:0030145 GO:0042803 GO:0046872 GO:0070006 GO:0070062
200.080.5280.820.000.582bniB GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
210.080.6812.700.050.984wgvA GO:0005215 GO:0005886 GO:0006810 GO:0006811 GO:0015293 GO:0016020 GO:0016021 GO:0030001 GO:0046872 GO:0055085
220.080.6312.410.050.911pv9A GO:0005737 GO:0006508 GO:0008233 GO:0008237 GO:0016787 GO:0016805 GO:0046872 GO:0102009
230.080.6153.080.020.963ig4A GO:0004177 GO:0006508 GO:0016787 GO:0030145 GO:0046872
240.080.6322.770.050.951pv9B GO:0005737 GO:0006508 GO:0008233 GO:0008237 GO:0016787 GO:0016805 GO:0046872 GO:0102009
250.070.6342.750.070.955dxhA GO:0000166 GO:0001525 GO:0001889 GO:0001944 GO:0004674 GO:0005524 GO:0005622 GO:0005829 GO:0005886 GO:0005942 GO:0005943 GO:0006006 GO:0006468 GO:0006661 GO:0006909 GO:0007173 GO:0010468 GO:0014066 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0030027 GO:0030168 GO:0030295 GO:0031295 GO:0032147 GO:0033138 GO:0035004 GO:0035005 GO:0036092 GO:0038028 GO:0038095 GO:0038096 GO:0038128 GO:0040014 GO:0043457 GO:0043491 GO:0043524 GO:0043542 GO:0043560 GO:0044029 GO:0046854 GO:0046934 GO:0048010 GO:0048015 GO:0050852 GO:0050900 GO:0060048 GO:0060612 GO:0071333 GO:0097009 GO:0098779 GO:2000270 GO:2000653 GO:2000811
260.070.4861.540.000.561ihqA GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
270.070.6612.720.020.953ihyC GO:0000045 GO:0000166 GO:0000910 GO:0004672 GO:0005524 GO:0005768 GO:0005770 GO:0005776 GO:0005829 GO:0005930 GO:0005942 GO:0006468 GO:0006661 GO:0006914 GO:0007032 GO:0007049 GO:0016020 GO:0016236 GO:0016301 GO:0016303 GO:0016310 GO:0016485 GO:0016740 GO:0030496 GO:0030670 GO:0031410 GO:0032465 GO:0034162 GO:0035004 GO:0035032 GO:0036092 GO:0042149 GO:0043201 GO:0045022 GO:0045335 GO:0046854 GO:0048015 GO:0050708 GO:0051301
280.070.5952.710.040.894fkcA GO:0004177 GO:0006508 GO:0016787 GO:0046872
290.070.6332.830.020.951he8A GO:0000166 GO:0001525 GO:0001816 GO:0001932 GO:0002250 GO:0002376 GO:0002407 GO:0002675 GO:0002679 GO:0004672 GO:0004674 GO:0005524 GO:0005737 GO:0005829 GO:0005886 GO:0005942 GO:0005944 GO:0006468 GO:0006661 GO:0006897 GO:0006935 GO:0006954 GO:0007186 GO:0007204 GO:0010818 GO:0010897 GO:0014065 GO:0016020 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0030168 GO:0030593 GO:0032252 GO:0033628 GO:0035004 GO:0035005 GO:0035747 GO:0036092 GO:0042098 GO:0042110 GO:0042629 GO:0043085 GO:0043303 GO:0043406 GO:0045087 GO:0046854 GO:0046875 GO:0046934 GO:0048015 GO:0051897 GO:0055118 GO:0070527 GO:0071320 GO:0072672 GO:0097284 GO:1903169 GO:2000270
300.070.6292.740.050.952iw2A GO:0004177 GO:0004181 GO:0006508 GO:0006520 GO:0008233 GO:0008237 GO:0016787 GO:0016805 GO:0030145 GO:0030574 GO:0046872 GO:0070062 GO:0102009
310.070.4841.230.000.542wq1A GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
320.070.6142.400.120.932wswA GO:0005215 GO:0005886 GO:0006810 GO:0009437 GO:0015297 GO:0016020 GO:0016021 GO:0044667 GO:0055085 GO:1900749 GO:1900751 GO:1902270


Consensus prediction of GO terms		 
Molecular Function GO:0042802 GO:0003682 GO:0001135 GO:0001084 GO:0001190 GO:0000978 GO:0000981 GO:0046983 GO:0008092 GO:0019215 GO:0003723 GO:0097367
GO-Score 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.42 0.42 0.38 0.38 0.38
Biological Processes GO:1903833 GO:0045899 GO:0008652 GO:0001080 GO:0010691 GO:0030155 GO:0009611 GO:0051345 GO:0032233 GO:2000146 GO:0006941 GO:0030837 GO:0030334 GO:0030835 GO:0051492 GO:0060047 GO:0045104 GO:0070306 GO:0007178 GO:0010975 GO:0045665 GO:0031345 GO:0048708 GO:0002064 GO:0021782 GO:0044403 GO:0044764 GO:0030049
GO-Score 0.56 0.56 0.56 0.56 0.56 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.36
Cellular Component GO:0000790 GO:0005667 GO:0042995 GO:0071944 GO:0097458 GO:1903561 GO:0031988 GO:0099513 GO:0042579 GO:0005924
GO-Score 0.56 0.56 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38

(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.