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I-TASSER results for job id Rv1638A

[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
10.08 24 1gd2E NUC Rep, Mult 30,31,34,35,38,42
20.08 23 1nwqC NUC Rep, Mult 37,38,41,42,44,45,46
30.08 21 5lsjF III Rep, Mult 41,42,45,49
40.07 22 4dyzA CA Rep, Mult 57,60,61
50.06 19 3mgnF DTR Rep, Mult 75,76,79,80
60.06 22 2jj1G PIT Rep, Mult 69,72,73,76,77
70.06 17 2e42B NUC Rep, Mult 33,34,37,38,40,41,42,44
80.06 20 2c9nZ NUC Rep, Mult 42,45,48,49,50,52
90.04 15 4mbeB III Rep, Mult 46,49,50,52,53,56
100.04 13 3kwoA ZN Rep, Mult 61,65
110.01 3 1y66B DIO Rep, Mult 62,65,69
120.00 1 1xa3A BTB Rep, Mult 18,21,24,30,32
130.00 1 1ik9B III Rep, Mult 65,66,68,69,72,73,76
140.00 1 3nc3A MG Rep, Mult 54,57

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
10.2251z56A0.6112.650.0530.8476.5.1.1NA
20.0603a1cB0.3204.120.0930.4823.6.3.-NA
30.0602ahmE0.3255.080.0000.6712.7.7.48NA
40.0602iw5A0.6451.570.0510.7651.-.-.-NA
50.0603i9wA0.6892.060.1300.8592.7.13.3NA
60.0601mc0A0.5102.910.0360.6823.1.4.1742
70.0601mo7A0.2013.910.0200.3183.6.3.9NA
80.0601u7lA0.5373.340.0120.7763.6.3.14NA
90.0603ffzA0.6083.310.0630.8713.4.24.69NA
100.0601mhsA0.5732.590.0120.7293.6.3.6NA
110.0601z0hB0.2224.230.0120.4233.4.24.6937,40
120.0601gpjA0.6142.330.0660.7881.2.1.70NA
130.0601zvuA0.5502.410.0370.7295.99.1.-NA
140.0602hc8A0.2533.370.0930.3653.6.3.-NA
150.0603e7kH0.5241.910.0890.6592.7.11.153
160.0601wt6B0.5912.000.1090.7532.7.11.139
170.0603b8cB0.5723.040.0860.7653.6.3.6NA
180.0603ilwA0.5312.610.0240.6825.99.1.3NA
190.0602h8nA0.6771.290.0460.7533.5.1.98NA
200.0603b8eC0.5463.090.0380.8353.6.3.9NA

(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
00.320.6692.590.100.943q8tB GO:0000045 GO:0000407 GO:0000910 GO:0001666 GO:0005634 GO:0005737 GO:0005739 GO:0005768 GO:0005776 GO:0005783 GO:0005789 GO:0005794 GO:0005802 GO:0006897 GO:0006914 GO:0006915 GO:0006995 GO:0007040 GO:0007049 GO:0007080 GO:0008285 GO:0010008 GO:0010508 GO:0016020 GO:0016023 GO:0016236 GO:0016239 GO:0019898 GO:0030425 GO:0031410 GO:0031625 GO:0031966 GO:0032258 GO:0032465 GO:0032801 GO:0033197 GO:0034271 GO:0034272 GO:0035032 GO:0042149 GO:0042493 GO:0043066 GO:0043234 GO:0043548 GO:0043652 GO:0044804 GO:0045324 GO:0045335 GO:0048666 GO:0050435 GO:0050790 GO:0051301 GO:0051607 GO:0051707 GO:0060548 GO:0071275 GO:0071364 GO:0098779 GO:1902425 GO:1903599 GO:2000378
10.320.5631.370.040.641ysaC 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
20.270.8031.650.100.964nqjA GO:0000209 GO:0004842 GO:0005622 GO:0005634 GO:0005737 GO:0005829 GO:0005886 GO:0006915 GO:0008270 GO:0016567 GO:0016607 GO:0016874 GO:0046872
30.260.7302.290.110.962b9cB GO:0003779 GO:0005737 GO:0005856 GO:0006936 GO:0030049 GO:0030336 GO:0031529 GO:0032781 GO:0042060 GO:0042803 GO:0043234 GO:0043462 GO:0045785 GO:0047485 GO:0051015 GO:0051496 GO:0051693 GO:0060048
40.250.5422.300.030.712n9bA GO:0000122 GO:0000166 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0001726 GO:0003677 GO:0003682 GO:0003700 GO:0003774 GO:0003779 GO:0005516 GO:0005524 GO:0005547 GO:0005634 GO:0005667 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005938 GO:0006351 GO:0006355 GO:0006366 GO:0006810 GO:0007165 GO:0008360 GO:0008652 GO:0010691 GO:0016020 GO:0016459 GO:0030027 GO:0030705 GO:0030898 GO:0031527 GO:0032433 GO:0042802 GO:0042995 GO:0043565 GO:0045899 GO:0051015 GO:0051489 GO:0060002 GO:0060261 GO:1903833
50.250.7562.170.050.964o4iE GO:0005737 GO:0005794 GO:0007019 GO:0015631 GO:0030424 GO:0030426 GO:0031110 GO:0031175 GO:0042995 GO:0043005 GO:0051493
60.220.5681.240.090.641kqlA 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
70.210.5762.390.060.764c46C 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
80.210.6502.670.010.952xzrA GO:0009405 GO:0019867
90.180.5052.030.090.645aptB 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
100.180.8501.630.050.983qweA GO:0002230 GO:0005096 GO:0005622 GO:0005829 GO:0007165 GO:0034260 GO:0035556 GO:0043547 GO:0046872 GO:0051056 GO:0098779 GO:0098792
110.160.7921.870.130.962efkA GO:0001891 GO:0005086 GO:0005096 GO:0005654 GO:0005737 GO:0005764 GO:0005794 GO:0005802 GO:0005829 GO:0005856 GO:0005886 GO:0005938 GO:0006897 GO:0007154 GO:0007165 GO:0008289 GO:0016020 GO:0016192 GO:0030036 GO:0042802 GO:0042995 GO:0043231 GO:0043547 GO:0048471 GO:0051056 GO:0070062
120.150.5423.440.020.922wpqA GO:0009405 GO:0019867
130.150.5383.000.030.823basB GO:0000122 GO:0000166 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0003774 GO:0003779 GO:0005516 GO:0005524 GO:0005634 GO:0005667 GO:0005737 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0016459 GO:0030016 GO:0032982 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
140.150.7951.710.020.962eflA GO:0005086 GO:0005737 GO:0005764 GO:0005802 GO:0005856 GO:0005886 GO:0005905 GO:0005938 GO:0006897 GO:0008289 GO:0016020 GO:0016023 GO:0016192 GO:0031410 GO:0042802 GO:0043547
150.150.4902.040.040.611gk6A 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
160.140.7811.960.090.962v0oA GO:0001786 GO:0005546 GO:0005886 GO:0005905 GO:0006897 GO:0010324 GO:0016020 GO:0030136 GO:0035091 GO:0048268 GO:0072583 GO:0072659
170.130.7951.880.040.964wpeA GO:0000142 GO:0000144 GO:0000281 GO:0000917 GO:0005737 GO:0005856 GO:0005935 GO:0007049 GO:0007067 GO:0008092 GO:0044697 GO:0051301 GO:0090339
180.090.6642.660.060.943zx6A GO:0004871 GO:0004888 GO:0005886 GO:0005887 GO:0006935 GO:0007165 GO:0016020 GO:0016021 GO:0043200 GO:0043424 GO:0046872 GO:0048870
190.090.7012.280.110.962ch7A GO:0004871 GO:0005886 GO:0006935 GO:0007165 GO:0016020 GO:0016021
200.070.6912.260.050.945c1fA GO:0001786 GO:0005547 GO:0005737 GO:0005826 GO:0005829 GO:0005856 GO:0007049 GO:0007067 GO:0051301 GO:0070273 GO:1903475
210.070.6742.520.100.923haiA GO:0005543 GO:0005737 GO:0005768 GO:0005829 GO:0005886 GO:0006897 GO:0007015 GO:0008092 GO:0008289 GO:0016020 GO:0030054 GO:0030100 GO:0030137 GO:0030659 GO:0031410 GO:0032587 GO:0042995 GO:0043005 GO:0043209 GO:0043679 GO:0045202 GO:0045806 GO:0048471 GO:0048488 GO:0048666 GO:0048812 GO:0072657 GO:0090002 GO:0097320 GO:1900006
220.070.6692.670.100.923qniA GO:0005543 GO:0005737 GO:0005768 GO:0005829 GO:0005886 GO:0006897 GO:0007015 GO:0008092 GO:0008289 GO:0016020 GO:0030054 GO:0030100 GO:0030137 GO:0030659 GO:0031410 GO:0032587 GO:0042995 GO:0043005 GO:0043209 GO:0043679 GO:0045202 GO:0045806 GO:0048471 GO:0048488 GO:0048666 GO:0048812 GO:0072657 GO:0090002 GO:0097320 GO:1900006
230.070.6422.740.060.941sjjA GO:0001725 GO:0001726 GO:0003779 GO:0005509 GO:0005623 GO:0005737 GO:0005856 GO:0005886 GO:0005915 GO:0005923 GO:0005925 GO:0016020 GO:0016328 GO:0017166 GO:0030018 GO:0030027 GO:0030054 GO:0030274 GO:0030486 GO:0031252 GO:0042383 GO:0042803 GO:0042995 GO:0045214 GO:0046872 GO:0048741 GO:0051015 GO:0051017 GO:0051219 GO:0051393 GO:0051764 GO:0090636 GO:0090637 GO:0097433 GO:1990357
240.070.6952.290.060.933syvC GO:0005654 GO:0005737 GO:0005768 GO:0005802 GO:0005886 GO:0006897 GO:0008092 GO:0008289 GO:0016020 GO:0019855 GO:0045806 GO:0051044 GO:0051926 GO:0070062 GO:0097320
250.070.6692.640.090.884g2kA 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:0016020 GO:0016021 GO:0016032 GO:0019012 GO:0019031 GO:0019062 GO:0020002 GO:0033644 GO:0039654 GO:0039663 GO:0042802 GO:0043565 GO:0045899 GO:0046718 GO:0055036 GO:0060261 GO:1903833
260.070.6383.000.100.943g67A GO:0004871 GO:0007165 GO:0016020
270.070.6522.420.050.923q0kD GO:0005215 GO:0005654 GO:0005737 GO:0005768 GO:0005769 GO:0005829 GO:0005856 GO:0005886 GO:0005901 GO:0005911 GO:0005913 GO:0005925 GO:0006897 GO:0008092 GO:0008289 GO:0016020 GO:0019898 GO:0030036 GO:0030100 GO:0030659 GO:0031410 GO:0032587 GO:0036010 GO:0042802 GO:0042995 GO:0043231 GO:0045806 GO:0048858 GO:0055038 GO:0070062 GO:0070300 GO:0070836 GO:0072584 GO:0097320 GO:0098609 GO:0098641
280.070.6662.410.060.933syvB GO:0005654 GO:0005737 GO:0005768 GO:0005802 GO:0005886 GO:0006897 GO:0008092 GO:0008289 GO:0016020 GO:0019855 GO:0045806 GO:0051044 GO:0051926 GO:0070062 GO:0097320
290.070.6362.770.060.933m3wB GO:0005654 GO:0005737 GO:0005768 GO:0005802 GO:0005886 GO:0006897 GO:0008092 GO:0008289 GO:0016020 GO:0019855 GO:0045806 GO:0051044 GO:0051926 GO:0070062 GO:0097320
300.070.6372.780.090.933i2wB GO:0000281 GO:0005543 GO:0005768 GO:0005829 GO:0005886 GO:0007053 GO:0007112 GO:0007269 GO:0008289 GO:0030100 GO:0030496 GO:0032154 GO:0036090 GO:0045211 GO:0045887 GO:0048488 GO:0061024 GO:0071212


Consensus prediction of GO terms		 
Molecular Function GO:0046914 GO:0019787 GO:0046983 GO:0035639 GO:0032559 GO:0042623 GO:0032550 GO:0000146 GO:1901981 GO:0003682 GO:0001135 GO:0000978 GO:0042802 GO:0001190 GO:0001084 GO:0000981 GO:0051015 GO:0043548 GO:0031625
GO-Score 0.54 0.54 0.53 0.50 0.50 0.50 0.50 0.50 0.50 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.45 0.32 0.32
Biological Processes GO:0032446 GO:2000146 GO:0030334 GO:0060047 GO:0030155 GO:0009611 GO:0043462 GO:0032233 GO:0006941 GO:0030835 GO:0051492 GO:0033275 GO:0030837 GO:0051345 GO:0022604 GO:0046847 GO:0044700 GO:0060491 GO:1903833 GO:0045899 GO:0001080 GO:0010691 GO:0008652 GO:0001666 GO:0033197 GO:0008285 GO:0000045 GO:0016239 GO:0006995 GO:0071364 GO:0042149 GO:0007080 GO:2000378 GO:0032465 GO:0007040 GO:1902425 GO:0045324 GO:0048666 GO:0032801 GO:1903599 GO:0098779 GO:0032258 GO:0050435 GO:0043066 GO:0051607 GO:0043652 GO:0042493 GO:0044804 GO:0071275
GO-Score 0.54 0.53 0.53 0.53 0.53 0.53 0.53 0.53 0.53 0.53 0.53 0.53 0.53 0.53 0.50 0.50 0.50 0.50 0.49 0.49 0.49 0.49 0.49 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32
Cellular Component GO:0016604 GO:0044430 GO:0015629 GO:0031253 GO:0031252 GO:0099568 GO:0030175 GO:0005667 GO:0000790 GO:0005829 GO:0005789 GO:0045335 GO:0005802 GO:0005776 GO:0030425 GO:0000407 GO:0010008 GO:0031966 GO:0034271 GO:0034272
GO-Score 0.54 0.50 0.50 0.50 0.50 0.50 0.50 0.49 0.49 0.45 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 0.32 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.