[Home] [Server] [About] [Statistics] [Annotation]

I-TASSER results for job id Rv3126c

[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
10.13 5 3o1eA III Rep, Mult 19,23,36,37,40,41
20.05 2 3mnnG MML Rep, Mult 43,46,47
30.05 2 1pq9B 44B Rep, Mult 12,33,36,51,55,85,88,98,103
40.05 2 5g3tB MG Rep, Mult 17,20,21,100
50.03 1 1bsxA III Rep, Mult 16,20,37
60.03 1 3mapA ICT Rep, Mult 57,77,78,82
70.03 1 2qagB GDP Rep, Mult 54,59
80.03 1 1pq9A BNS Rep, Mult 12,19,37,41
90.03 1 2z9dA FMN Rep, Mult 55,65
100.03 1 3sgfH MG Rep, Mult 79,82
110.03 1 1wa5C GTP Rep, Mult 51,52
120.03 1 1tdiA GSH Rep, Mult 53,74

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
10.0603mddA0.5034.400.1080.8751.3.99.399,101
20.0602ix6A0.5004.500.0190.8851.3.3.6NA
30.0601ukwA0.5064.140.0490.8651.3.99.346
40.0602e9eA0.4474.030.0770.7881.11.1.7NA
50.0603d9dA0.5074.270.0200.8561.7.3.1NA
60.0602ix6E0.5004.500.0190.8851.3.3.650
70.0601siqA0.4894.660.0670.8851.3.99.746
80.0601q3qA0.4904.320.0950.8853.6.4.939
90.0601t9gC0.5094.500.0780.8851.3.99.359
100.0601fr0A0.5174.180.0520.8652.7.13.327
110.0601q2vA0.4904.470.1130.9043.6.4.9NA
120.0602z1qB0.4934.630.0990.8941.3.99.346
130.0603c17B0.5034.310.1170.8943.4.19.5NA
140.0601udyA0.5054.580.0880.8851.3.99.359
150.0601s4bP0.4934.200.1220.8083.4.24.15NA
160.0601yfmA0.5133.650.0410.8564.2.1.2NA
170.0601y5nC0.4074.400.0960.7501.7.99.486,101
180.0601r5zA0.5214.470.0880.9523.6.3.1413
190.0601jn9D0.3434.670.0830.6633.4.19.5,3.5.1.1NA

(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
00.140.5293.810.060.902e2rA GO:0000977 GO:0001228 GO:0003677 GO:0003700 GO:0003707 GO:0003708 GO:0005496 GO:0005634 GO:0005654 GO:0006351 GO:0006355 GO:0006366 GO:0006367 GO:0008270 GO:0043401 GO:0043565 GO:0045893 GO:0045944 GO:0046872 GO:0048384 GO:0050682
10.070.5364.060.070.951xdkB GO:0000122 GO:0000977 GO:0001657 GO:0002068 GO:0003148 GO:0003406 GO:0003417 GO:0003677 GO:0003700 GO:0003707 GO:0003708 GO:0005634 GO:0005654 GO:0006351 GO:0006355 GO:0008144 GO:0008270 GO:0008284 GO:0008285 GO:0021756 GO:0022008 GO:0031641 GO:0032331 GO:0032403 GO:0035116 GO:0035264 GO:0043065 GO:0043066 GO:0043068 GO:0043401 GO:0043565 GO:0045666 GO:0045944 GO:0046872 GO:0046965 GO:0048048 GO:0048384 GO:0048566 GO:0055012 GO:0060041 GO:0060348 GO:0061037
20.070.5873.380.040.914oztE GO:0003677 GO:0003700 GO:0003707 GO:0004884 GO:0005496 GO:0005634 GO:0006351 GO:0006355 GO:0008270 GO:0035076 GO:0043401 GO:0043565 GO:0046872
30.070.3753.970.030.573q95B GO:0000122 GO:0000790 GO:0000978 GO:0001046 GO:0001077 GO:0001223 GO:0001547 GO:0002064 GO:0002076 GO:0003677 GO:0003682 GO:0003700 GO:0003707 GO:0004879 GO:0005496 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005794 GO:0005886 GO:0006338 GO:0006351 GO:0006355 GO:0006366 GO:0006367 GO:0007165 GO:0007200 GO:0007204 GO:0008013 GO:0008134 GO:0008209 GO:0008270 GO:0008289 GO:0008584 GO:0010629 GO:0010863 GO:0016020 GO:0016021 GO:0019899 GO:0030235 GO:0030284 GO:0030315 GO:0030518 GO:0030520 GO:0031798 GO:0032355 GO:0032403 GO:0034056 GO:0035327 GO:0036312 GO:0038052 GO:0042562 GO:0042802 GO:0042981 GO:0043005 GO:0043124 GO:0043195 GO:0043204 GO:0043234 GO:0043401 GO:0043433 GO:0043523 GO:0043565 GO:0043627 GO:0045429 GO:0045742 GO:0045893 GO:0045944 GO:0046325 GO:0046697 GO:0046872 GO:0048146 GO:0048471 GO:0048662 GO:0050679 GO:0051000 GO:0051091 GO:0051117 GO:0060009 GO:0060011 GO:0060065 GO:0060068 GO:0060523 GO:0060527 GO:0060687 GO:0060745 GO:0060749 GO:0060750 GO:0070374 GO:0071168 GO:0071391 GO:0071392 GO:0090209 GO:1901215 GO:1903799 GO:1990375
40.070.5034.640.070.973dr1A GO:0001503 GO:0001947 GO:0003146 GO:0003677 GO:0003700 GO:0003707 GO:0004879 GO:0005499 GO:0005634 GO:0006351 GO:0006355 GO:0008134 GO:0008270 GO:0008434 GO:0030522 GO:0043401 GO:0043565 GO:0046872 GO:0055074 GO:0070561 GO:0070644 GO:1902098 GO:1902121
50.070.5653.900.060.923ilzA GO:0000976 GO:0001502 GO:0001503 GO:0001822 GO:0001889 GO:0002153 GO:0002155 GO:0003677 GO:0003700 GO:0003705 GO:0003707 GO:0003727 GO:0004879 GO:0004887 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005829 GO:0006351 GO:0006355 GO:0006357 GO:0006366 GO:0006367 GO:0007420 GO:0007611 GO:0008016 GO:0008050 GO:0008134 GO:0008270 GO:0009409 GO:0009755 GO:0009887 GO:0010831 GO:0017025 GO:0017055 GO:0019904 GO:0030218 GO:0030324 GO:0030325 GO:0030522 GO:0030878 GO:0031490 GO:0031667 GO:0032403 GO:0033032 GO:0042493 GO:0042803 GO:0042994 GO:0043401 GO:0043433 GO:0043565 GO:0044212 GO:0044213 GO:0045892 GO:0045925 GO:0045944 GO:0046872 GO:0046982 GO:0046983 GO:0048565 GO:0048568 GO:0050994 GO:0060509 GO:0070324 GO:2000143
60.070.3873.600.030.621r1kD GO:0003677 GO:0003700 GO:0003707 GO:0004884 GO:0005496 GO:0005634 GO:0006351 GO:0006355 GO:0008270 GO:0035076 GO:0043401 GO:0043565 GO:0046872
70.070.5154.310.070.963v3qB GO:0001077 GO:0001938 GO:0002042 GO:0003677 GO:0003700 GO:0003707 GO:0004879 GO:0005634 GO:0005654 GO:0005737 GO:0006351 GO:0006355 GO:0006367 GO:0007165 GO:0008270 GO:0030522 GO:0031965 GO:0035767 GO:0035924 GO:0043401 GO:0043565 GO:0044344 GO:0045444 GO:0045786 GO:0045944 GO:0046872 GO:0046982 GO:0061469 GO:0071376
80.070.5244.070.070.933v3qA GO:0001077 GO:0001938 GO:0002042 GO:0003677 GO:0003700 GO:0003707 GO:0004879 GO:0005634 GO:0005654 GO:0005737 GO:0006351 GO:0006355 GO:0006367 GO:0007165 GO:0008270 GO:0030522 GO:0031965 GO:0035767 GO:0035924 GO:0043401 GO:0043565 GO:0044344 GO:0045444 GO:0045786 GO:0045944 GO:0046872 GO:0046982 GO:0061469 GO:0071376
90.070.5124.150.040.904qjrA GO:0000976 GO:0000980 GO:0001553 GO:0003677 GO:0003682 GO:0003690 GO:0003700 GO:0003705 GO:0003707 GO:0003713 GO:0004879 GO:0005543 GO:0005634 GO:0005654 GO:0006351 GO:0006355 GO:0006357 GO:0006366 GO:0006367 GO:0007267 GO:0007538 GO:0008270 GO:0008289 GO:0008584 GO:0008585 GO:0009755 GO:0009888 GO:0010259 GO:0019899 GO:0022414 GO:0030154 GO:0030325 GO:0030522 GO:0042445 GO:0043401 GO:0043565 GO:0045893 GO:0045944 GO:0046872 GO:0050810 GO:0051457 GO:0090575 GO:2000020 GO:2000195
100.070.5283.900.060.901g2nA GO:0003677 GO:0003707 GO:0005634 GO:0006351 GO:0006355 GO:0008270 GO:0043401
110.070.5533.950.030.921ovlE GO:0000122 GO:0000977 GO:0000979 GO:0001077 GO:0001228 GO:0001666 GO:0001764 GO:0001975 GO:0003677 GO:0003700 GO:0003707 GO:0004879 GO:0005634 GO:0005654 GO:0005737 GO:0006351 GO:0006355 GO:0006366 GO:0006367 GO:0007165 GO:0007399 GO:0008013 GO:0008270 GO:0008344 GO:0009791 GO:0010467 GO:0010468 GO:0021952 GO:0021953 GO:0021986 GO:0030182 GO:0030522 GO:0031668 GO:0034599 GO:0035259 GO:0042053 GO:0042416 GO:0042417 GO:0042551 GO:0042803 GO:0043085 GO:0043401 GO:0043524 GO:0043565 GO:0043576 GO:0045444 GO:0045893 GO:0045944 GO:0046872 GO:0046965 GO:0046982 GO:0051866 GO:0060070 GO:0071376 GO:0071542 GO:1904948 GO:2001234
120.070.5114.180.050.933a3zX GO:0000122 GO:0000902 GO:0001501 GO:0003677 GO:0003700 GO:0003707 GO:0004879 GO:0005634 GO:0005654 GO:0006351 GO:0006355 GO:0006367 GO:0006816 GO:0006874 GO:0007165 GO:0007275 GO:0007595 GO:0008270 GO:0008285 GO:0008434 GO:0009887 GO:0010628 GO:0010839 GO:0010980 GO:0038183 GO:0038186 GO:0043235 GO:0043401 GO:0043565 GO:0045618 GO:0045892 GO:0045944 GO:0046697 GO:0046872 GO:0046965 GO:0050892 GO:0060058 GO:0060558 GO:0060745 GO:0070561 GO:0070644 GO:0090575 GO:1902098 GO:1902121
130.070.5384.250.060.931xlsE GO:0000977 GO:0001228 GO:0001649 GO:0003677 GO:0003700 GO:0003707 GO:0004887 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0005856 GO:0006351 GO:0006355 GO:0006366 GO:0008270 GO:0030522 GO:0043401 GO:0043565 GO:0045892 GO:0045944 GO:0046872
140.070.5603.540.060.911nq2A GO:0000122 GO:0000790 GO:0003677 GO:0003700 GO:0003707 GO:0003714 GO:0004887 GO:0005634 GO:0005654 GO:0006351 GO:0006355 GO:0006357 GO:0006367 GO:0007605 GO:0007621 GO:0008016 GO:0008050 GO:0008270 GO:0009887 GO:0019899 GO:0030522 GO:0031490 GO:0043401 GO:0043565 GO:0045892 GO:0045944 GO:0046872 GO:0060509 GO:0070062 GO:0070324
150.070.3504.160.060.603mnpA GO:0000978 GO:0001077 GO:0003677 GO:0003700 GO:0003707 GO:0004883 GO:0005496 GO:0005622 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005815 GO:0005819 GO:0005829 GO:0005856 GO:0006111 GO:0006351 GO:0006355 GO:0006366 GO:0008211 GO:0008270 GO:0008289 GO:0016020 GO:0016568 GO:0030325 GO:0031946 GO:0038051 GO:0042711 GO:0042921 GO:0043401 GO:0043402 GO:0043525 GO:0043565 GO:0045944 GO:0046872 GO:0046983 GO:0060603 GO:0071383 GO:1900170 GO:1990239
160.070.4994.220.060.893f5cA GO:0000978 GO:0000980 GO:0001077 GO:0003677 GO:0003682 GO:0003690 GO:0003700 GO:0003707 GO:0004879 GO:0005543 GO:0005634 GO:0005737 GO:0005829 GO:0006351 GO:0006355 GO:0006366 GO:0008206 GO:0008270 GO:0008289 GO:0009755 GO:0030522 GO:0030855 GO:0031018 GO:0042127 GO:0042632 GO:0043401 GO:0043565 GO:0044212 GO:0045070 GO:0045893 GO:0045944 GO:0046872 GO:0061113 GO:0090575
170.070.5224.260.060.952nxxE GO:0003677 GO:0003700 GO:0003707 GO:0004884 GO:0005496 GO:0005634 GO:0006351 GO:0006355 GO:0008270 GO:0035076 GO:0043401 GO:0043565 GO:0046872
180.070.5134.080.030.913ollA GO:0000122 GO:0001046 GO:0001541 GO:0001662 GO:0003677 GO:0003700 GO:0003707 GO:0003713 GO:0004879 GO:0005496 GO:0005576 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005886 GO:0005929 GO:0006351 GO:0006355 GO:0006367 GO:0007165 GO:0007267 GO:0007611 GO:0008144 GO:0008270 GO:0008289 GO:0008584 GO:0008585 GO:0009414 GO:0009725 GO:0014070 GO:0014823 GO:0017085 GO:0019899 GO:0021549 GO:0021764 GO:0021854 GO:0030284 GO:0030308 GO:0030518 GO:0030520 GO:0030850 GO:0031667 GO:0032355 GO:0032993 GO:0033574 GO:0033595 GO:0034056 GO:0035690 GO:0038052 GO:0042493 GO:0042562 GO:0042975 GO:0043005 GO:0043025 GO:0043065 GO:0043204 GO:0043401 GO:0043523 GO:0043565 GO:0043627 GO:0044752 GO:0044849 GO:0045471 GO:0045742 GO:0045893 GO:0045909 GO:0045944 GO:0046872 GO:0048019 GO:0048471 GO:0048521 GO:0048662 GO:0050680 GO:0051091 GO:0060009 GO:0060011 GO:0060548 GO:0070374 GO:0071259 GO:0071392 GO:0071407 GO:0071548 GO:1900116 GO:1901215 GO:1902074 GO:1903924 GO:1903925 GO:1990239 GO:2000252 GO:2000378


Consensus prediction of GO terms		 
Molecular Function GO:0008289 GO:0000976 GO:0001012 GO:0004879 GO:0008270 GO:0003707
GO-Score 0.50 0.39 0.39 0.39 0.35 0.35
Biological Processes GO:0006357 GO:0045893 GO:0030522 GO:0006352 GO:0043401
GO-Score 0.50 0.50 0.39 0.39 0.35
Cellular Component GO:0031981
GO-Score 0.50

(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.