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I-TASSER results for job id Rv1918c

[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
10.09 7 3cmvG ANP Rep, Mult 951,952,953,954,955,956
20.05 4 3cmvH ANP Rep, Mult 950,951,952
30.03 2 3cmvG ANP Rep, Mult 614,615,616,617
40.03 2 4xgcC III Rep, Mult 82,83
50.03 2 3iylA MYR Rep, Mult 330,341
60.03 2 4lqhA MG Rep, Mult 84,85
70.01 1 4afyA NUC Rep, Mult 95,96
80.01 1 3lziA DTP Rep, Mult 14,15,24,89
90.01 1 2j62A GSZ Rep, Mult 170,172
100.01 1 1xmvA ADP Rep, Mult 301,302,303,305
110.01 1 3mgrH RB Rep, Mult 101,102,104
120.01 1 2vn4A MAN Rep, Mult 344,345
130.01 1 3kd5E PPF Rep, Mult 266,267,268,269
140.01 1 3l68A COU Rep, Mult 60,64
150.01 1 3lw5K CLA Rep, Mult 83,87
160.01 1 2i36C UUU Rep, Mult 972,979
170.01 1 2oyqD QNA Rep, Mult 298,299,300,301
180.01 1 2p5gD QNA Rep, Mult 237,238,240,242,244,245
190.01 1 2rmpA UUU Rep, Mult 274,275,276,286
200.01 1 2o01H CLA Rep, Mult 116,120

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
10.0601q16A0.1107.240.0530.1521.7.99.4NA
20.0601iwpA0.0877.670.0590.1244.2.1.30NA
30.0602vkzG0.1138.140.0380.1672.3.1.38,3.1.2.14NA
40.0601q50A0.0775.900.0350.0975.3.1.9NA
50.0603b9jJ0.0625.580.0230.0761.17.1.4,1.17.3.2NA
60.0602uv8G0.1138.400.0230.1692.3.1.86NA
70.0601h0hA0.1107.200.0650.1531.2.1.2NA
80.0601ogyA0.1048.050.0430.1491.7.99.4NA
90.0602vz8A0.1067.960.0190.1552.3.1.85NA
100.0601frvB0.1056.130.0640.1341.12.2.1NA
110.0602jfdA0.0786.330.0530.1002.3.1.85NA
120.0602e1qA0.1037.140.0170.1421.17.3.2,1.17.1.4NA
130.0601ofdA0.1007.040.0310.1351.4.7.1NA
140.0601k32A0.1047.610.0250.1463.4.21.-NA
150.0601fo4A0.0938.430.0220.1381.17.1.4NA
160.0602x42A0.1136.880.0290.1503.2.1.21NA
170.0602v45A0.1096.450.0290.1441.7.99.4NA
180.0602o2dB0.1067.810.0500.1535.3.1.9NA
190.0602ckjA0.0877.970.0180.1251.17.1.4,1.17.3.2NA

(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
00.060.3727.550.060.523hqvB GO:0005201 GO:0005576 GO:0005578 GO:0005581 GO:0030198 GO:0046872 GO:0071300 GO:0071310 GO:0071873 GO:0097067
10.060.3627.760.070.523hqvA GO:0001501 GO:0001503 GO:0001568 GO:0001649 GO:0001957 GO:0001958 GO:0005201 GO:0005576 GO:0005578 GO:0005581 GO:0005584 GO:0005615 GO:0005737 GO:0005783 GO:0005794 GO:0007584 GO:0007601 GO:0007605 GO:0009612 GO:0010718 GO:0010812 GO:0015031 GO:0030141 GO:0030198 GO:0030199 GO:0030335 GO:0031012 GO:0031667 GO:0031960 GO:0032355 GO:0032964 GO:0034504 GO:0034505 GO:0038063 GO:0042060 GO:0042493 GO:0042542 GO:0042802 GO:0043434 GO:0043588 GO:0043589 GO:0044344 GO:0044691 GO:0045893 GO:0046872 GO:0048407 GO:0048545 GO:0048705 GO:0048706 GO:0051591 GO:0055093 GO:0060325 GO:0060346 GO:0060351 GO:0070208 GO:0071230 GO:0071260 GO:0071300 GO:0071306 GO:0071356 GO:0071364 GO:0071560 GO:0090263 GO:1902617 GO:1902618
20.060.1197.620.030.174d1eA GO:0000165 GO:0002576 GO:0003779 GO:0005088 GO:0005178 GO:0005509 GO:0005546 GO:0005576 GO:0005737 GO:0005829 GO:0005856 GO:0005884 GO:0005886 GO:0005925 GO:0006936 GO:0007155 GO:0008092 GO:0008307 GO:0019904 GO:0030017 GO:0030018 GO:0030035 GO:0030049 GO:0030175 GO:0030274 GO:0030374 GO:0030375 GO:0030864 GO:0031093 GO:0031143 GO:0031432 GO:0042391 GO:0042802 GO:0042803 GO:0042981 GO:0043197 GO:0043267 GO:0043268 GO:0043547 GO:0044325 GO:0045214 GO:0046872 GO:0046983 GO:0048041 GO:0051015 GO:0051289 GO:0051373 GO:0051695 GO:0055013 GO:0070062 GO:0070080 GO:0086097 GO:0090002 GO:1901017 GO:1901018 GO:1903506 GO:2000009 GO:2000273 GO:2001137 GO:2001259
30.060.0957.800.020.141g8xA GO:0000146 GO:0000166 GO:0000281 GO:0000331 GO:0001931 GO:0003774 GO:0003779 GO:0005200 GO:0005509 GO:0005516 GO:0005524 GO:0005737 GO:0005773 GO:0005826 GO:0005829 GO:0005856 GO:0005884 GO:0005938 GO:0006909 GO:0006935 GO:0006971 GO:0006972 GO:0007275 GO:0008104 GO:0008360 GO:0009267 GO:0009612 GO:0016459 GO:0016460 GO:0030038 GO:0030554 GO:0030587 GO:0030674 GO:0030837 GO:0030866 GO:0030898 GO:0031034 GO:0031143 GO:0031152 GO:0031154 GO:0031252 GO:0031254 GO:0031270 GO:0031410 GO:0032009 GO:0032060 GO:0032154 GO:0032982 GO:0033275 GO:0033298 GO:0034461 GO:0042542 GO:0042641 GO:0042803 GO:0044351 GO:0045179 GO:0045335 GO:0046847 GO:0046872 GO:0048870 GO:0051015 GO:0051017 GO:0051764 GO:0060328 GO:0071889 GO:0097204 GO:1990753
40.060.1017.110.040.144fn5A GO:0000166 GO:0003746 GO:0003924 GO:0005525 GO:0005622 GO:0005737 GO:0006412 GO:0006414
50.060.0847.860.030.124j5tA GO:0003824 GO:0004573 GO:0005783 GO:0005789 GO:0006487 GO:0008152 GO:0009272 GO:0009311 GO:0016020 GO:0016021 GO:0016787 GO:0016798 GO:0070880
60.060.1056.580.040.144pd3B GO:0000146 GO:0000166 GO:0000281 GO:0000331 GO:0001701 GO:0001725 GO:0001764 GO:0001778 GO:0003279 GO:0003774 GO:0003779 GO:0005200 GO:0005509 GO:0005516 GO:0005524 GO:0005634 GO:0005737 GO:0005739 GO:0005773 GO:0005819 GO:0005829 GO:0005884 GO:0005886 GO:0005903 GO:0005938 GO:0006887 GO:0006909 GO:0006930 GO:0006972 GO:0007097 GO:0007155 GO:0007275 GO:0007409 GO:0007411 GO:0007420 GO:0007507 GO:0007512 GO:0008283 GO:0008360 GO:0009267 GO:0015629 GO:0016459 GO:0016460 GO:0021592 GO:0021670 GO:0021678 GO:0021680 GO:0030027 GO:0030036 GO:0030048 GO:0030239 GO:0030424 GO:0030426 GO:0030496 GO:0030587 GO:0030674 GO:0030898 GO:0031032 GO:0031175 GO:0031252 GO:0031410 GO:0031594 GO:0032154 GO:0035904 GO:0042641 GO:0042995 GO:0043005 GO:0043025 GO:0043197 GO:0043531 GO:0044351 GO:0045335 GO:0046872 GO:0048870 GO:0050885 GO:0051015 GO:0051017 GO:0051764 GO:0055003 GO:0055015 GO:0060041 GO:0060976 GO:0070062 GO:0097513
70.060.0697.300.060.104i2yA GO:0000086 GO:0000922 GO:0001975 GO:0002027 GO:0005246 GO:0005509 GO:0005513 GO:0005634 GO:0005737 GO:0005813 GO:0005819 GO:0005829 GO:0005856 GO:0005876 GO:0005886 GO:0006091 GO:0007190 GO:0008076 GO:0008179 GO:0008218 GO:0010880 GO:0018298 GO:0019722 GO:0019901 GO:0019904 GO:0021762 GO:0030017 GO:0030234 GO:0030235 GO:0030426 GO:0030801 GO:0031432 GO:0031800 GO:0031982 GO:0031996 GO:0031997 GO:0032465 GO:0032516 GO:0034704 GO:0035307 GO:0043005 GO:0043274 GO:0043388 GO:0043548 GO:0044325 GO:0046872 GO:0047485 GO:0048306 GO:0050998 GO:0051000 GO:0051343 GO:0051412 GO:0051592 GO:0055117 GO:0060314 GO:0060316 GO:0070062 GO:0072542 GO:1901339 GO:1901841
80.060.0906.270.010.121pxyB GO:0003779 GO:0005737 GO:0005856 GO:0007623 GO:0046872
90.060.0785.850.000.101rt8A GO:0000281 GO:0003779 GO:0005509 GO:0005737 GO:0005826 GO:0005856 GO:0006897 GO:0008360 GO:0030036 GO:0030437 GO:0030479 GO:0030674 GO:0030835 GO:0032432 GO:0046872 GO:0051015 GO:0051017 GO:0051666 GO:0051764 GO:0071963 GO:1903475
100.060.0685.480.040.085bvrA GO:0003779 GO:0005737 GO:0005826 GO:0005856 GO:0030036 GO:0030674 GO:0051017 GO:0051764 GO:1903475
110.060.0755.860.030.094z6gA GO:0003779 GO:0005509 GO:0005737 GO:0005794 GO:0005856 GO:0005874 GO:0005886 GO:0005913 GO:0007050 GO:0008017 GO:0010632 GO:0016020 GO:0016055 GO:0016887 GO:0030177 GO:0032587 GO:0032886 GO:0042060 GO:0042995 GO:0043001 GO:0044822 GO:0045773 GO:0046872 GO:0051015 GO:0051893 GO:0098609 GO:0098641
120.060.0656.870.050.093u0kA GO:0005509 GO:0006091 GO:0008218 GO:0046872
130.060.0786.720.030.101xplA GO:0003824 GO:0004421 GO:0008152 GO:0008299
140.060.0526.190.040.074b7lB GO:0001725 GO:0003334 GO:0003382 GO:0003779 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005903 GO:0005913 GO:0005925 GO:0005938 GO:0007016 GO:0007165 GO:0007275 GO:0007517 GO:0007519 GO:0015629 GO:0016021 GO:0030018 GO:0030036 GO:0030154 GO:0031012 GO:0042802 GO:0044822 GO:0070062 GO:0098609 GO:0098641
150.060.0725.380.040.091aoaA GO:0003779 GO:0005509 GO:0005737 GO:0032420 GO:0042491 GO:0046872 GO:0060348
160.060.0726.060.010.094q57B GO:0003779 GO:0005737 GO:0005856 GO:0005903 GO:0005925 GO:0008092 GO:0008307 GO:0030054 GO:0030056 GO:0030506 GO:0031581 GO:0042383 GO:0043292 GO:0044822 GO:0045111 GO:0070062
170.060.1057.480.030.152ycuA GO:0000146 GO:0000166 GO:0000331 GO:0001725 GO:0003009 GO:0003774 GO:0003779 GO:0005200 GO:0005509 GO:0005516 GO:0005524 GO:0005737 GO:0005773 GO:0005829 GO:0005884 GO:0005903 GO:0005938 GO:0006909 GO:0006972 GO:0007275 GO:0007519 GO:0007605 GO:0008360 GO:0009267 GO:0016020 GO:0016459 GO:0016460 GO:0019228 GO:0030048 GO:0030424 GO:0030426 GO:0030587 GO:0030674 GO:0030898 GO:0031032 GO:0031252 GO:0031410 GO:0042641 GO:0043209 GO:0044351 GO:0045335 GO:0046872 GO:0048870 GO:0051015 GO:0051017 GO:0051764 GO:0070062 GO:0070584 GO:0071625 GO:0097513
180.060.0837.170.070.124il1A GO:0000082 GO:0000086 GO:0000922 GO:0001975 GO:0002027 GO:0004721 GO:0004722 GO:0004723 GO:0005246 GO:0005509 GO:0005513 GO:0005516 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005813 GO:0005819 GO:0005829 GO:0005856 GO:0005876 GO:0005886 GO:0005955 GO:0006470 GO:0006606 GO:0006816 GO:0007190 GO:0008076 GO:0008144 GO:0008179 GO:0010880 GO:0014883 GO:0014898 GO:0016020 GO:0016311 GO:0016787 GO:0019722 GO:0019899 GO:0019901 GO:0019904 GO:0021762 GO:0030017 GO:0030018 GO:0030234 GO:0030235 GO:0030426 GO:0030801 GO:0031432 GO:0031800 GO:0031982 GO:0031996 GO:0031997 GO:0032465 GO:0032516 GO:0033173 GO:0033192 GO:0033555 GO:0034704 GO:0035307 GO:0035562 GO:0035690 GO:0042383 GO:0043005 GO:0043274 GO:0043388 GO:0043548 GO:0044325 GO:0045944 GO:0045955 GO:0046676 GO:0046872 GO:0046982 GO:0046983 GO:0047485 GO:0048306 GO:0048741 GO:0050774 GO:0050804 GO:0050998 GO:0051000 GO:0051091 GO:0051343 GO:0051412 GO:0051533 GO:0051592 GO:0055117 GO:0060079 GO:0060314 GO:0060316 GO:0070062 GO:0071333 GO:0072542 GO:0098794 GO:1901339 GO:1901841 GO:1903244


Consensus prediction of GO terms
 
Molecular Function GO:0043169
GO-Score 0.46
Biological Processes GO:0071300 GO:0042542 GO:0044344 GO:0038063 GO:1902618 GO:0031960 GO:0032355 GO:0045893 GO:0060346 GO:0001958 GO:0055093 GO:0071560 GO:0030335 GO:0048706 GO:0071873 GO:0071260 GO:0090263 GO:0097067 GO:0015031 GO:0007601 GO:0001649 GO:0010718 GO:0071356 GO:0051591 GO:0010812 GO:0042493 GO:0071364 GO:0001568 GO:0071230 GO:0001957 GO:0043589 GO:0060325 GO:0070208 GO:0060351 GO:0007605 GO:0032964 GO:0071306 GO:0034504 GO:0030199 GO:0042060 GO:0044691 GO:0034505 GO:0032060 GO:0031152 GO:0006935 GO:0048041 GO:0030866 GO:1901017 GO:0030038 GO:0044351 GO:2000009 GO:0031270 GO:0030049 GO:0090002 GO:1901018 GO:0031034 GO:0055013 GO:0060328 GO:2001137 GO:0002576 GO:0086097 GO:0006972 GO:0042391 GO:0051764 GO:2000273 GO:0043547 GO:0006414 GO:0030035 GO:0000165 GO:0006909 GO:0033298 GO:0000281 GO:0006971 GO:0030837 GO:0051289 GO:0045214 GO:0046847 GO:2001259 GO:0051695 GO:0034461 GO:0042981 GO:0031154 GO:0008360
GO-Score 0.12 0.12 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06
Cellular Component GO:0044424
GO-Score 0.45

(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.