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I-TASSER results for job id Rv2053c

[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 3 1ng9B ADP Rep, Mult 33,52,53,56,70,71,72,73,74,75
20.05 2 1ykpA DHB Rep, Mult 91,93,99
30.05 2 1e3mA ADP Rep, Mult 37,65,69,70,71,72,73,74
40.03 1 3d1lA MPR Rep, Mult 46,65
50.03 1 1e3mB QNA Rep, Mult 28,30,78
60.03 1 2wscJ CLA Rep, Mult 65,70
70.03 1 4fe1I CLA Rep, Mult 35,38,39
80.03 1 1lghA DET Rep, Mult 14,21
90.03 1 2r9rH PGW Rep, Mult 30,48,49,52
100.03 1 5is0C 6ET Rep, Mult 36,71,78
110.03 1 3attA MG Rep, Mult 146,148
120.03 1 3ngiA CA Rep, Mult 148,168
130.03 1 3mi1B FE Rep, Mult 91,93
140.03 1 1g42A CA Rep, Mult 85,88
150.03 1 1oh6B QNA Rep, Mult 52,53,74,80

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
10.0601z0hB0.3725.730.0190.6803.4.24.69NA
20.0601itwB0.4345.600.0910.7891.1.1.4234,37,72
30.0601gpjA0.4554.770.0520.7141.2.1.70NA
40.0601o0uB0.4414.810.0670.6912.7.1.31NA
50.0602vumA0.3615.200.0520.5892.7.7.6NA
60.0602iukA0.3875.390.0380.6461.13.11.12NA
70.0601n1hA0.4205.110.0360.7032.7.7.4822,87
80.0602ajqA0.4364.510.0300.6632.7.7.7NA
90.0601ynnD0.3514.130.0420.4972.7.7.646
100.0602iz1B0.4394.050.0450.6231.1.1.44NA
110.0602vuaA0.3276.040.0490.6513.4.24.6953,74,79
120.0603g61A0.4324.890.0600.6973.6.3.44NA
130.0602r0nA0.4165.380.0610.7261.3.99.773
140.0601jqnA0.4344.590.0880.6864.1.1.31NA
150.0602jkvA0.4233.940.0420.6111.1.1.44NA
160.0602b0tA0.4185.550.0730.7601.1.1.4231
170.0601no3A0.4414.490.0400.6511.13.11.12NA
180.0603fwnA0.4713.400.0700.6341.1.1.44NA
190.0602zj7A0.4185.410.0700.7313.1.1.3NA

(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
00.080.6193.290.120.793j9pA GO:0005215 GO:0005216 GO:0005262 GO:0005363 GO:0005622 GO:0005886 GO:0005887 GO:0006810 GO:0006811 GO:0006816 GO:0006974 GO:0007166 GO:0008643 GO:0009409 GO:0010033 GO:0014070 GO:0015267 GO:0015278 GO:0015768 GO:0016020 GO:0016021 GO:0019233 GO:0030288 GO:0032421 GO:0034289 GO:0042493 GO:0042542 GO:0042597 GO:0042956 GO:0043190 GO:0048265 GO:0050896 GO:0050955 GO:0050966 GO:0050968 GO:0051209 GO:0051289 GO:0055052 GO:0055085 GO:0060326 GO:0070588 GO:0097604 GO:1901982 GO:1990060
10.070.5433.600.110.775an8A GO:0005216 GO:0005261 GO:0005262 GO:0005622 GO:0005886 GO:0006810 GO:0006811 GO:0009266 GO:0009408 GO:0009986 GO:0016020 GO:0016021 GO:0030424 GO:0032584 GO:0044295 GO:0044297 GO:0045773 GO:0055085 GO:0070588 GO:0090280
20.070.6811.820.110.733j5pA GO:0000122 GO:0000166 GO:0001659 GO:0001660 GO:0001774 GO:0002024 GO:0002790 GO:0004888 GO:0005216 GO:0005231 GO:0005261 GO:0005262 GO:0005516 GO:0005524 GO:0005829 GO:0005886 GO:0005887 GO:0006629 GO:0006810 GO:0006811 GO:0006816 GO:0006954 GO:0007165 GO:0007204 GO:0008324 GO:0009268 GO:0009408 GO:0009897 GO:0010243 GO:0014047 GO:0014832 GO:0015276 GO:0015278 GO:0016020 GO:0016021 GO:0017081 GO:0019233 GO:0030054 GO:0030425 GO:0031226 GO:0032591 GO:0034220 GO:0042802 GO:0042995 GO:0043005 GO:0043025 GO:0043065 GO:0043434 GO:0045202 GO:0045211 GO:0045429 GO:0048265 GO:0048266 GO:0050954 GO:0050960 GO:0050965 GO:0050968 GO:0051209 GO:0055085 GO:0060083 GO:0060454 GO:0070588 GO:0071312 GO:0071318 GO:0071345 GO:0071356 GO:0071363 GO:0071502 GO:0090212 GO:0097603 GO:1990090
30.070.6203.290.110.795hi9A GO:0005216 GO:0005262 GO:0005622 GO:0005737 GO:0005886 GO:0005887 GO:0006810 GO:0006811 GO:0006816 GO:0008285 GO:0009408 GO:0012505 GO:0016020 GO:0016021 GO:0030027 GO:0042470 GO:0055085 GO:0070588
40.060.2774.810.060.455et1A GO:0003779 GO:0005737 GO:0005856 GO:0005902 GO:0005903 GO:0007605 GO:0007626 GO:0015629 GO:0017124 GO:0030046 GO:0030054 GO:0031941 GO:0032420 GO:0032421 GO:0032426 GO:0042995 GO:0043197 GO:0051015 GO:0051017 GO:0051491 GO:0051494 GO:0051639
50.060.2815.030.090.474o1pC GO:0000166 GO:0004540 GO:0004672 GO:0005524 GO:0006397 GO:0006468 GO:0046872 GO:0090501
60.060.3644.980.040.585iwrA GO:0005216 GO:0005227 GO:0005262 GO:0005516 GO:0005886 GO:0005887 GO:0006810 GO:0006811 GO:0006816 GO:0016020 GO:0016021 GO:0016324 GO:0055085 GO:0070509 GO:0070588
70.060.2845.400.030.501n11A GO:0005198 GO:0005200 GO:0005634 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0006887 GO:0006888 GO:0007010 GO:0007165 GO:0008093 GO:0010638 GO:0014731 GO:0016020 GO:0016323 GO:0016529 GO:0019899 GO:0030018 GO:0030507 GO:0030673 GO:0031430 GO:0031672 GO:0042383 GO:0043005 GO:0045199 GO:0045211 GO:0051117 GO:0072661
80.060.2815.270.030.484oauC GO:0000166 GO:0003723 GO:0004518 GO:0004519 GO:0004521 GO:0004540 GO:0004672 GO:0005524 GO:0005737 GO:0005739 GO:0005759 GO:0005829 GO:0006364 GO:0006397 GO:0006468 GO:0016363 GO:0016787 GO:0019843 GO:0043021 GO:0043488 GO:0045071 GO:0045444 GO:0045944 GO:0046872 GO:0051607 GO:0055085 GO:0060337 GO:0090501 GO:0090502 GO:2001275
90.060.3155.220.030.553keaA
100.060.3715.220.040.634rlvA GO:0002027 GO:0003283 GO:0005200 GO:0005622 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0006874 GO:0006888 GO:0007165 GO:0007399 GO:0008093 GO:0010628 GO:0010881 GO:0010882 GO:0014704 GO:0016020 GO:0016323 GO:0016324 GO:0019899 GO:0019901 GO:0030018 GO:0030054 GO:0030315 GO:0030507 GO:0030674 GO:0030913 GO:0031430 GO:0031647 GO:0031672 GO:0033292 GO:0033365 GO:0034394 GO:0034613 GO:0036309 GO:0036371 GO:0042383 GO:0043005 GO:0043034 GO:0043268 GO:0044325 GO:0045121 GO:0045202 GO:0045211 GO:0050821 GO:0051117 GO:0051279 GO:0051597 GO:0051924 GO:0051928 GO:0055117 GO:0060307 GO:0070296 GO:0070972 GO:0072659 GO:0072661 GO:0086004 GO:0086005 GO:0086014 GO:0086015 GO:0086046 GO:0086066 GO:0086070 GO:0086091 GO:0098907 GO:0098910 GO:1901018 GO:1901019 GO:1901021 GO:2001259
110.060.2185.390.060.394n5qB GO:0005216 GO:0005261 GO:0005262 GO:0005887 GO:0006810 GO:0006811 GO:0006816 GO:0009266 GO:0009408 GO:0016020 GO:0016021 GO:0042636 GO:0043235 GO:0055085 GO:0070588 GO:0090280
120.060.2105.420.060.371wg0A GO:0005634 GO:0005829 GO:0005838 GO:0006508 GO:0070682
130.060.2845.630.030.523t9kA GO:0000082 GO:0001618 GO:0001669 GO:0001701 GO:0001708 GO:0001726 GO:0001894 GO:0001948 GO:0001968 GO:0002020 GO:0002042 GO:0003779 GO:0004872 GO:0005096 GO:0005102 GO:0005178 GO:0005518 GO:0005604 GO:0005737 GO:0005768 GO:0005886 GO:0005911 GO:0005912 GO:0005913 GO:0005925 GO:0006810 GO:0006874 GO:0006968 GO:0007155 GO:0007156 GO:0007159 GO:0007160 GO:0007161 GO:0007179 GO:0007229 GO:0008277 GO:0008284 GO:0008285 GO:0008305 GO:0008354 GO:0008542 GO:0009897 GO:0009986 GO:0010710 GO:0010811 GO:0010976 GO:0014704 GO:0014823 GO:0015026 GO:0015031 GO:0016020 GO:0016021 GO:0016032 GO:0016477 GO:0019900 GO:0019901 GO:0019904 GO:0019960 GO:0021943 GO:0030027 GO:0030054 GO:0030056 GO:0030175 GO:0030183 GO:0030198 GO:0030335 GO:0031175 GO:0031345 GO:0031410 GO:0031589 GO:0031594 GO:0031623 GO:0031667 GO:0032154 GO:0032403 GO:0032587 GO:0032594 GO:0033631 GO:0034113 GO:0034665 GO:0034666 GO:0034667 GO:0034677 GO:0034678 GO:0034679 GO:0034680 GO:0034681 GO:0034698 GO:0035024 GO:0035748 GO:0042277 GO:0042383 GO:0042470 GO:0042493 GO:0042995 GO:0043065 GO:0043149 GO:0043197 GO:0043235 GO:0043236 GO:0043410 GO:0043547 GO:0045121 GO:0045202 GO:0045214 GO:0045596 GO:0045665 GO:0045666 GO:0045807 GO:0046718 GO:0046872 GO:0046982 GO:0048333 GO:0048471 GO:0048675 GO:0048738 GO:0048813 GO:0050731 GO:0050776 GO:0050839 GO:0050900 GO:0050901 GO:0051393 GO:0051726 GO:0055007 GO:0055037 GO:0055038 GO:0060135 GO:0070062 GO:0070830 GO:0071260 GO:0071305 GO:0071404 GO:0071438 GO:0071479 GO:0071559 GO:0090004 GO:0097060 GO:0098639 GO:0098641 GO:2000811
140.060.3045.580.070.574betA GO:0005576 GO:0008152 GO:0009405 GO:0016740 GO:0030430 GO:0043087 GO:0044605
150.060.2784.620.060.442fo1E GO:0001708 GO:0002119 GO:0004888 GO:0005509 GO:0005634 GO:0005886 GO:0007219 GO:0007275 GO:0016020 GO:0016021 GO:0016324 GO:0018991 GO:0030154 GO:0040025 GO:0043054 GO:0045168
160.060.2614.670.020.423b7bA GO:0000122 GO:0002039 GO:0005634 GO:0005654 GO:0005694 GO:0006306 GO:0008168 GO:0008270 GO:0009790 GO:0016279 GO:0016568 GO:0016571 GO:0016740 GO:0018024 GO:0018026 GO:0018027 GO:0032259 GO:0034968 GO:0045892 GO:0046872 GO:0046974 GO:0046976 GO:0051567 GO:0060992 GO:0070734 GO:0070742 GO:1901796
170.060.2404.900.050.392f8xK GO:0000122 GO:0000139 GO:0001047 GO:0001190 GO:0001525 GO:0001669 GO:0001701 GO:0001708 GO:0001837 GO:0001889 GO:0001947 GO:0002040 GO:0002052 GO:0002193 GO:0002437 GO:0003157 GO:0003160 GO:0003162 GO:0003169 GO:0003180 GO:0003181 GO:0003184 GO:0003192 GO:0003197 GO:0003198 GO:0003203 GO:0003207 GO:0003208 GO:0003209 GO:0003213 GO:0003214 GO:0003219 GO:0003222 GO:0003241 GO:0003256 GO:0003264 GO:0003270 GO:0003273 GO:0003344 GO:0003682 GO:0003700 GO:0004857 GO:0004872 GO:0005112 GO:0005509 GO:0005576 GO:0005634 GO:0005654 GO:0005737 GO:0005783 GO:0005789 GO:0005794 GO:0005829 GO:0005886 GO:0005912 GO:0006351 GO:0006355 GO:0006357 GO:0006366 GO:0006367 GO:0006955 GO:0006959 GO:0007219 GO:0007221 GO:0007275 GO:0007283 GO:0007368 GO:0007386 GO:0007409 GO:0007420 GO:0007440 GO:0007492 GO:0007507 GO:0008284 GO:0008285 GO:0008544 GO:0008593 GO:0009912 GO:0009986 GO:0010001 GO:0010468 GO:0010718 GO:0010812 GO:0010832 GO:0014031 GO:0014807 GO:0016020 GO:0016021 GO:0016324 GO:0019899 GO:0021515 GO:0021915 GO:0030154 GO:0030182 GO:0030216 GO:0030279 GO:0030324 GO:0030326 GO:0030334 GO:0030335 GO:0030513 GO:0030514 GO:0030900 GO:0031069 GO:0031100 GO:0031410 GO:0031490 GO:0031960 GO:0032495 GO:0032496 GO:0035116 GO:0035148 GO:0035914 GO:0035924 GO:0042127 GO:0042246 GO:0043065 GO:0043086 GO:0043235 GO:0043565 GO:0045070 GO:0045165 GO:0045596 GO:0045603 GO:0045607 GO:0045608 GO:0045618 GO:0045662 GO:0045665 GO:0045668 GO:0045687 GO:0045747 GO:0045892 GO:0045893 GO:0045944 GO:0045955 GO:0046427 GO:0046533 GO:0046872 GO:0046982 GO:0048103 GO:0048663 GO:0048708 GO:0048709 GO:0048711 GO:0048715 GO:0048754 GO:0050434 GO:0050678 GO:0050679 GO:0050767 GO:0050768 GO:0050793 GO:0055008 GO:0060038 GO:0060045 GO:0060253 GO:0060271 GO:0060317 GO:0060411 GO:0060412 GO:0060528 GO:0060548 GO:0060740 GO:0060768 GO:0060842 GO:0060843 GO:0060948 GO:0060956 GO:0060979 GO:0060982 GO:0061314 GO:0061384 GO:0061419 GO:0070986 GO:0071372 GO:0071944 GO:0072017 GO:0072044 GO:0072144 GO:0072602 GO:0090051 GO:0090090 GO:0097150 GO:1901201 GO:1902263 GO:2000737 GO:2000811 GO:2000974 GO:2001027
180.060.3115.170.050.534ot9A GO:0000122 GO:0000978 GO:0001077 GO:0002268 GO:0002467 GO:0003677 GO:0003682 GO:0003700 GO:0003713 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0006351 GO:0006355 GO:0006357 GO:0006366 GO:0006954 GO:0007165 GO:0007249 GO:0007568 GO:0030198 GO:0032481 GO:0032496 GO:0033257 GO:0034097 GO:0038061 GO:0045087 GO:0045944 GO:0048511 GO:0048536 GO:0051092


Consensus prediction of GO terms
 
Molecular Function GO:0015085 GO:0005261
GO-Score 0.50 0.50
Biological Processes GO:0098662 GO:0006816 GO:0006950 GO:0009266
GO-Score 0.50 0.50 0.37 0.37
Cellular Component GO:0031226
GO-Score 0.39

(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.