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I-TASSER results for job id Rv3892c

[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 4 4ryoA MPG Rep, Mult 43,71,78
20.06 3 4fohA CA Rep, Mult 61,64
30.04 2 2ykuB PLP Rep, Mult 21,22
40.04 2 4jolA III Rep, Mult 88,91
50.04 2 3mgnB DTR Rep, Mult 96,100
60.02 1 3nteA FE Rep, Mult 108,111
70.02 1 3hd7A GGG Rep, Mult 149,152
80.02 1 2dqsA PTY Rep, Mult 85,89,96,191
90.02 1 3r6yB CA Rep, Mult 115,141
100.02 1 2voyK III Rep, Mult 70,74,77,78,85
110.02 1 5ebzA 5TH Rep, Mult 12,114
120.02 1 3cc9C GRG Rep, Mult 14,17
130.02 1 2g38B MN Rep, Mult 153,156,157
140.02 1 3c9iA XE Rep, Mult 140,144
150.02 1 3qksB III Rep, Mult 81,88
160.02 1 3k2sB POV Rep, Mult 31,34
170.02 1 3iilA MG Rep, Mult 11,12

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
10.0601f1oA0.2775.540.0530.3914.3.2.2NA
20.0601mo7A0.1546.160.0580.2383.6.3.9105,156
30.0603i9wA0.3163.630.0730.3782.7.13.337,39
40.0603czoB0.2905.870.0680.4134.3.1.3NA
50.0602vkzG0.3436.350.0380.5362.3.1.38,3.1.2.14NA
60.0601xmeA0.2955.160.0300.4061.9.3.1NA
70.0602fenD0.2995.440.0560.4115.5.1.2NA
80.0602np0A0.3246.440.0280.5093.4.24.69NA
90.0602z1qB0.2936.310.0460.4491.3.99.3NA
100.0601w07B0.2986.050.0500.4361.3.3.6NA
110.0601ofdA0.2676.980.0570.4561.4.7.1NA
120.0601w27A0.2975.750.0540.4264.3.1.24NA
130.0601ynnJ0.1766.450.0440.2762.7.7.688,90,93,162
140.0603btaA0.2996.120.0360.4593.4.24.69NA
150.0601vdkA0.3045.460.0410.4164.2.1.2NA
160.0603b8eC0.2737.000.0420.4493.6.3.996
170.0601w36B0.2976.480.0440.4643.1.11.5NA
180.0602pfmA0.2945.710.0490.4164.3.2.2NA
190.0602fonB0.3146.000.0400.4641.3.3.6NA

(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
00.070.4035.840.170.575gaoE GO:0000387 GO:0000398 GO:0000481 GO:0005634 GO:0005681 GO:0006397 GO:0008380 GO:0030529 GO:0045292 GO:0046540
10.060.3733.940.040.464iwoA GO:0000166 GO:0002218 GO:0002376 GO:0003676 GO:0004672 GO:0004674 GO:0005524 GO:0005737 GO:0005829 GO:0006468 GO:0006954 GO:0007249 GO:0009615 GO:0010008 GO:0010629 GO:0016032 GO:0016301 GO:0016310 GO:0016740 GO:0018105 GO:0032480 GO:0032481 GO:0032606 GO:0032727 GO:0032728 GO:0033138 GO:0035666 GO:0043123 GO:0044565 GO:0045087 GO:0045359 GO:0045944 GO:0050830 GO:0051219 GO:0051607 GO:1901214 GO:1904417
20.060.3704.140.040.464iw0A GO:0000166 GO:0002218 GO:0002376 GO:0003676 GO:0004672 GO:0004674 GO:0005524 GO:0005737 GO:0005829 GO:0006468 GO:0006954 GO:0007249 GO:0009615 GO:0010008 GO:0010629 GO:0016032 GO:0016301 GO:0016310 GO:0016740 GO:0018105 GO:0032480 GO:0032481 GO:0032606 GO:0032727 GO:0032728 GO:0033138 GO:0035666 GO:0043123 GO:0044565 GO:0045087 GO:0045359 GO:0045944 GO:0050830 GO:0051219 GO:0051607 GO:1901214 GO:1904417
30.060.3394.560.070.434kikB GO:0000166 GO:0002223 GO:0003009 GO:0004672 GO:0004674 GO:0005524 GO:0005634 GO:0005737 GO:0005829 GO:0006468 GO:0006954 GO:0007249 GO:0007252 GO:0008284 GO:0008384 GO:0008385 GO:0009615 GO:0009636 GO:0009898 GO:0010803 GO:0010976 GO:0016020 GO:0016301 GO:0016310 GO:0016740 GO:0019901 GO:0030866 GO:0031175 GO:0032496 GO:0033209 GO:0035509 GO:0035631 GO:0035666 GO:0038095 GO:0042325 GO:0042493 GO:0042501 GO:0042803 GO:0043066 GO:0043123 GO:0043231 GO:0045087 GO:0045121 GO:0045893 GO:0045944 GO:0046982 GO:0050852 GO:0051092 GO:0051403 GO:0070423 GO:0070498 GO:0070542 GO:0071356 GO:0090002 GO:0097110 GO:1901216 GO:1903140 GO:1903347
40.060.3055.520.040.433qa8A GO:0004672 GO:0005524 GO:0005622 GO:0006468 GO:0007252 GO:0008384
50.060.2565.120.050.352j51A GO:0000166 GO:0004672 GO:0004674 GO:0004702 GO:0005524 GO:0005737 GO:0005913 GO:0006468 GO:0006915 GO:0016301 GO:0016310 GO:0016740 GO:0023014 GO:0030334 GO:0031122 GO:0031252 GO:0042802 GO:0042803 GO:0042981 GO:0046777 GO:0051893 GO:0070062 GO:0098609 GO:0098641
60.060.2486.560.020.403k9tA GO:0005975 GO:0046872
70.060.2326.160.040.364ix3B GO:0000166 GO:0004672 GO:0005524 GO:0006468
80.060.2416.090.030.362pziA GO:0000166 GO:0001899 GO:0004672 GO:0004674 GO:0005524 GO:0005737 GO:0005829 GO:0005886 GO:0006468 GO:0006538 GO:0006543 GO:0009405 GO:0016020 GO:0016301 GO:0016310 GO:0016740 GO:0040007 GO:0044413 GO:0046677 GO:0046777 GO:0052027 GO:0052190 GO:0052369
90.060.2365.410.010.333zduA GO:0000166 GO:0004672 GO:0004674 GO:0004693 GO:0005524 GO:0005737 GO:0006464 GO:0006468 GO:0016301 GO:0016310 GO:0016740 GO:0051726
100.060.1976.880.030.332fo0A GO:0000166 GO:0000287 GO:0001922 GO:0001934 GO:0002322 GO:0002333 GO:0003677 GO:0003785 GO:0004515 GO:0004672 GO:0004713 GO:0004715 GO:0005080 GO:0005102 GO:0005524 GO:0005634 GO:0005654 GO:0005730 GO:0005737 GO:0005739 GO:0005829 GO:0005856 GO:0006281 GO:0006298 GO:0006355 GO:0006464 GO:0006468 GO:0006897 GO:0006909 GO:0006914 GO:0006915 GO:0006974 GO:0006975 GO:0006979 GO:0007050 GO:0007067 GO:0007155 GO:0007173 GO:0007204 GO:0008022 GO:0008630 GO:0010506 GO:0015629 GO:0016020 GO:0016301 GO:0016310 GO:0016740 GO:0017124 GO:0018108 GO:0019904 GO:0019905 GO:0021587 GO:0022408 GO:0030035 GO:0030036 GO:0030100 GO:0030145 GO:0030155 GO:0030514 GO:0030516 GO:0031113 GO:0031234 GO:0031252 GO:0031965 GO:0032956 GO:0033690 GO:0034446 GO:0034599 GO:0035791 GO:0038083 GO:0038096 GO:0042100 GO:0042127 GO:0042770 GO:0043065 GO:0043123 GO:0043124 GO:0045087 GO:0045184 GO:0045930 GO:0045931 GO:0046632 GO:0046777 GO:0046872 GO:0048008 GO:0048471 GO:0048536 GO:0048538 GO:0048668 GO:0050731 GO:0050798 GO:0050853 GO:0050885 GO:0051015 GO:0051019 GO:0051149 GO:0051281 GO:0051353 GO:0051444 GO:0051726 GO:0051882 GO:0060020 GO:0070064 GO:0070301 GO:0070373 GO:0070374 GO:0071222 GO:0071901 GO:0090135 GO:1900042 GO:1900275 GO:1901216 GO:1902715 GO:1903053 GO:1903351 GO:1904528 GO:1904531 GO:1990051 GO:2000096 GO:2000145 GO:2000249 GO:2000352 GO:2000772 GO:2000773 GO:2001020
110.060.2326.180.050.354nm5A GO:0000166 GO:0000320 GO:0001085 GO:0001837 GO:0001954 GO:0002039 GO:0004672 GO:0004674 GO:0005178 GO:0005524 GO:0005634 GO:0005737 GO:0005739 GO:0005813 GO:0005829 GO:0005886 GO:0005975 GO:0005977 GO:0006349 GO:0006468 GO:0006611 GO:0006983 GO:0007163 GO:0007212 GO:0007275 GO:0007399 GO:0007409 GO:0007520 GO:0007568 GO:0007623 GO:0008013 GO:0008134 GO:0009887 GO:0009968 GO:0010226 GO:0010614 GO:0010800 GO:0010918 GO:0010975 GO:0010977 GO:0014043 GO:0014823 GO:0014902 GO:0016020 GO:0016055 GO:0016301 GO:0016310 GO:0016477 GO:0016740 GO:0018105 GO:0018107 GO:0019901 GO:0021766 GO:0030010 GO:0030154 GO:0030424 GO:0030425 GO:0030426 GO:0030516 GO:0030529 GO:0030877 GO:0031333 GO:0031334 GO:0031625 GO:0032091 GO:0032092 GO:0032355 GO:0032436 GO:0032868 GO:0032886 GO:0033138 GO:0034236 GO:0034392 GO:0035255 GO:0035372 GO:0035556 GO:0035729 GO:0036016 GO:0036018 GO:0042493 GO:0043025 GO:0043065 GO:0043066 GO:0043161 GO:0043197 GO:0043198 GO:0043227 GO:0043234 GO:0043407 GO:0043525 GO:0043547 GO:0044027 GO:0044297 GO:0044337 GO:0045121 GO:0045444 GO:0045719 GO:0045732 GO:0045773 GO:0045944 GO:0046777 GO:0046827 GO:0048156 GO:0048168 GO:0048471 GO:0048511 GO:0048661 GO:0048814 GO:0050321 GO:0050770 GO:0050774 GO:0051001 GO:0051059 GO:0051534 GO:0060070 GO:0070059 GO:0070301 GO:0071109 GO:0071260 GO:0071282 GO:0071285 GO:0071871 GO:0090090 GO:0097192 GO:0097481 GO:0099565 GO:1900034 GO:1900181 GO:1901030 GO:1901216 GO:1902065 GO:1903351 GO:1904339 GO:1904885 GO:1904886 GO:1990418 GO:1990478 GO:1990776 GO:1990909 GO:2000077 GO:2000171 GO:2000463 GO:2000466 GO:2000573 GO:2000738 GO:2001223
120.060.2266.150.050.331i09A GO:0000166 GO:0000320 GO:0001085 GO:0001837 GO:0001954 GO:0002039 GO:0004672 GO:0004674 GO:0005178 GO:0005524 GO:0005634 GO:0005737 GO:0005739 GO:0005813 GO:0005829 GO:0005886 GO:0005975 GO:0005977 GO:0006349 GO:0006468 GO:0006611 GO:0006983 GO:0007163 GO:0007212 GO:0007275 GO:0007399 GO:0007409 GO:0007520 GO:0007568 GO:0007623 GO:0008013 GO:0008134 GO:0009887 GO:0009968 GO:0010226 GO:0010614 GO:0010800 GO:0010918 GO:0010975 GO:0010977 GO:0014043 GO:0014823 GO:0014902 GO:0016020 GO:0016055 GO:0016301 GO:0016310 GO:0016477 GO:0016740 GO:0018105 GO:0018107 GO:0019901 GO:0021766 GO:0030010 GO:0030154 GO:0030424 GO:0030425 GO:0030426 GO:0030516 GO:0030529 GO:0030877 GO:0031333 GO:0031334 GO:0031625 GO:0032091 GO:0032092 GO:0032355 GO:0032436 GO:0032868 GO:0032886 GO:0033138 GO:0034236 GO:0034392 GO:0035255 GO:0035372 GO:0035556 GO:0035729 GO:0036016 GO:0036018 GO:0042493 GO:0043025 GO:0043065 GO:0043066 GO:0043161 GO:0043197 GO:0043198 GO:0043227 GO:0043234 GO:0043407 GO:0043525 GO:0043547 GO:0044027 GO:0044297 GO:0044337 GO:0045121 GO:0045444 GO:0045719 GO:0045732 GO:0045773 GO:0045944 GO:0046777 GO:0046827 GO:0048156 GO:0048168 GO:0048471 GO:0048511 GO:0048661 GO:0048814 GO:0050321 GO:0050770 GO:0050774 GO:0051001 GO:0051059 GO:0051534 GO:0060070 GO:0070059 GO:0070301 GO:0071109 GO:0071260 GO:0071282 GO:0071285 GO:0071871 GO:0090090 GO:0097192 GO:0097481 GO:0099565 GO:1900034 GO:1900181 GO:1901030 GO:1901216 GO:1902065 GO:1903351 GO:1904339 GO:1904885 GO:1904886 GO:1990418 GO:1990478 GO:1990776 GO:1990909 GO:2000077 GO:2000171 GO:2000463 GO:2000466 GO:2000573 GO:2000738 GO:2001223
130.060.2156.760.040.364y93A GO:0000166 GO:0001818 GO:0004672 GO:0004713 GO:0004715 GO:0005102 GO:0005524 GO:0005547 GO:0005634 GO:0005737 GO:0005829 GO:0005886 GO:0006468 GO:0007169 GO:0007249 GO:0016301 GO:0016310 GO:0016740 GO:0018108 GO:0030154 GO:0031234 GO:0031410 GO:0035556 GO:0038083 GO:0042127 GO:0042802 GO:0043231 GO:0045087 GO:0045121 GO:0046872 GO:0048469
140.060.2405.940.040.365dzcA GO:0000166 GO:0004672 GO:0004674 GO:0005524 GO:0006468 GO:0016301 GO:0016310 GO:0016740
150.060.2285.890.050.344j96B GO:0000122 GO:0000165 GO:0000166 GO:0001525 GO:0001657 GO:0001701 GO:0001837 GO:0002053 GO:0003148 GO:0003149 GO:0004672 GO:0004713 GO:0004714 GO:0005007 GO:0005088 GO:0005524 GO:0005576 GO:0005634 GO:0005654 GO:0005737 GO:0005794 GO:0005886 GO:0005887 GO:0005938 GO:0006468 GO:0006915 GO:0007267 GO:0007409 GO:0008201 GO:0008284 GO:0008543 GO:0008589 GO:0009791 GO:0009880 GO:0009887 GO:0009986 GO:0010453 GO:0010518 GO:0014066 GO:0016020 GO:0016021 GO:0016023 GO:0016301 GO:0016303 GO:0016310 GO:0016331 GO:0016740 GO:0017134 GO:0018108 GO:0021769 GO:0021847 GO:0021860 GO:0022612 GO:0030177 GO:0030282 GO:0030324 GO:0030855 GO:0030901 GO:0030916 GO:0031012 GO:0031069 GO:0031410 GO:0032808 GO:0033688 GO:0035264 GO:0035265 GO:0035602 GO:0035603 GO:0035604 GO:0035607 GO:0036092 GO:0040014 GO:0040036 GO:0042472 GO:0042476 GO:0042803 GO:0043231 GO:0043410 GO:0043547 GO:0045165 GO:0045667 GO:0045787 GO:0045944 GO:0046777 GO:0046854 GO:0046934 GO:0048015 GO:0048286 GO:0048333 GO:0048557 GO:0048562 GO:0048565 GO:0048568 GO:0048608 GO:0048661 GO:0048701 GO:0048705 GO:0048730 GO:0048755 GO:0048762 GO:0050679 GO:0050680 GO:0051150 GO:0051781 GO:0055010 GO:0060045 GO:0060076 GO:0060174 GO:0060348 GO:0060349 GO:0060442 GO:0060445 GO:0060449 GO:0060463 GO:0060484 GO:0060501 GO:0060512 GO:0060523 GO:0060527 GO:0060529 GO:0060595 GO:0060601 GO:0060615 GO:0060664 GO:0060667 GO:0060670 GO:0060687 GO:0060688 GO:0060915 GO:0060916 GO:0070372 GO:0070374 GO:0090263
160.060.2106.030.040.324tyhA GO:0000165 GO:0000166 GO:0000187 GO:0002224 GO:0004672 GO:0004674 GO:0004683 GO:0004871 GO:0005516 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005813 GO:0005829 GO:0006468 GO:0006691 GO:0006950 GO:0006954 GO:0006974 GO:0007265 GO:0009931 GO:0016301 GO:0016310 GO:0016740 GO:0018105 GO:0031572 GO:0032496 GO:0032675 GO:0032680 GO:0034097 GO:0035924 GO:0038066 GO:0042535 GO:0043488 GO:0044351 GO:0046777 GO:0048010 GO:0048255 GO:0048839 GO:0070062 GO:0070935 GO:1900034
170.060.2015.640.050.294oliA GO:0000166 GO:0004672 GO:0004713 GO:0004715 GO:0005131 GO:0005524 GO:0005634 GO:0005737 GO:0005829 GO:0005856 GO:0006468 GO:0007169 GO:0016020 GO:0016301 GO:0016310 GO:0016477 GO:0016740 GO:0030154 GO:0031234 GO:0031702 GO:0035556 GO:0038083 GO:0042127 GO:0045087 GO:0060337 GO:0060338 GO:0070062
180.060.2267.340.050.404fi1A GO:0000166 GO:0004672 GO:0004674 GO:0005524 GO:0005654 GO:0005956 GO:0006356 GO:0006359 GO:0006468 GO:0006974 GO:0007535 GO:0016301 GO:0016310 GO:0016740 GO:0018105 GO:0018107 GO:0031167 GO:0034456


Consensus prediction of GO terms
 
Molecular Function GO:0016773 GO:0035639 GO:0032550 GO:0016301 GO:0032559
GO-Score 0.46 0.46 0.46 0.46 0.46
Biological Processes GO:0006464 GO:0016310 GO:0045893 GO:0016032 GO:1902533 GO:0043122 GO:0006357 GO:0002756 GO:0051707
GO-Score 0.46 0.46 0.36 0.36 0.36 0.36 0.36 0.36 0.36
Cellular Component GO:0044444
GO-Score 0.36

(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.