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I-TASSER results for job id Rv3493c

[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
10.05 3 1ykpA DHB Rep, Mult 146,148,149
20.04 2 3attA MG Rep, Mult 192,234
30.04 2 3ar3A PTY Rep, Mult 163,167,170,171
40.04 2 3ef7B ZN Rep, Mult 223,224
50.02 1 3wmgA DMU Rep, Mult 152,156
60.02 1 3pyr4 MG Rep, Mult 132,140
70.02 1 3divA 5AX Rep, Mult 111,113
80.02 1 3pp5A CA Rep, Mult 50,53
90.02 1 3ar4A PTY Rep, Mult 176,183,187
100.02 1 3qmkB SO4 Rep, Mult 62,133,137
110.02 1 3ojaB MAN Rep, Mult 41,44
120.02 1 3hd7A GGG Rep, Mult 73,74
130.02 1 3mq7E CA Rep, Mult 30,33
140.02 1 5c22B ZN Rep, Mult 26,30
150.02 1 2h7hB NUC Rep, Mult 51,52,55,56,58,59,62,63
160.02 1 2w6dA GDP Rep, Mult 170,171,173,174,202
170.02 1 1r43B BIB Rep, Mult 23,130,200,241
180.02 1 3qmkB SGN Rep, Mult 69,126
190.02 1 1y66B DIO Rep, Mult 127,130,134
200.02 1 2dqsA PTY Rep, Mult 180,184,191

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
10.0602pmzQ0.3045.800.0230.4882.7.7.691,113
20.0601hbmA0.3405.790.0340.5702.8.4.1148
30.0603b8cA0.4444.910.0420.6283.6.3.6NA
40.0601zvuA0.3784.950.0170.5625.99.1.-NA
50.0602np0A0.4425.620.0500.7233.4.24.69237
60.0602ix6E0.4004.550.0580.5501.3.3.6132
70.0601mhsA0.4096.140.0820.7113.6.3.6NA
80.0603h0gA0.3745.350.0720.5912.7.7.6180,183
90.0602b5uA0.3785.280.0570.5543.1.-.-NA
100.0601ynnJ0.1916.250.0430.3432.7.7.692
110.0601e6vA0.3745.340.0270.5832.8.4.1152
120.0603i9wA0.5003.850.0330.6242.7.13.387,112
130.0601w07B0.3734.930.0530.5331.3.3.6NA
140.0603djlA0.3984.830.0670.5661.3.99.-NA
150.0602ix6A0.3994.550.0580.5501.3.3.6NA
160.0603eqlD0.3586.440.0350.6612.7.7.6NA
170.0603b8eC0.4875.830.0250.8143.6.3.9NA
180.0602vumA0.3095.960.0230.5212.7.7.6NA
190.0601rx0A0.3734.600.0400.5121.3.99.-10,188

(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
00.090.5813.500.060.721jadA GO:0004435 GO:0004629 GO:0004871 GO:0005509 GO:0005829 GO:0006629 GO:0007165 GO:0008081 GO:0016042 GO:0016787 GO:0035556
10.070.5254.430.050.741f5nA GO:0000139 GO:0000166 GO:0002376 GO:0003779 GO:0003924 GO:0005525 GO:0005576 GO:0005737 GO:0005794 GO:0005829 GO:0005886 GO:0016020 GO:0016787 GO:0019899 GO:0019955 GO:0030507 GO:0042802 GO:0050848 GO:0050860 GO:0051607 GO:0051879 GO:0060333 GO:0070373 GO:1900025 GO:1900041 GO:1903076 GO:1903077
20.070.5144.270.030.704wicA GO:0042025 GO:0050792
30.070.5224.140.020.701dg3A GO:0000139 GO:0000166 GO:0002376 GO:0003779 GO:0003924 GO:0005525 GO:0005576 GO:0005737 GO:0005794 GO:0005829 GO:0005886 GO:0016020 GO:0016787 GO:0019899 GO:0019955 GO:0030507 GO:0042802 GO:0050848 GO:0050860 GO:0051607 GO:0051879 GO:0060333 GO:0070373 GO:1900025 GO:1900041 GO:1903076 GO:1903077
40.060.4994.080.050.654gnkE GO:0003073 GO:0004435 GO:0004629 GO:0004871 GO:0005509 GO:0005516 GO:0005654 GO:0005829 GO:0005913 GO:0006629 GO:0006892 GO:0007165 GO:0007186 GO:0007223 GO:0007268 GO:0008081 GO:0016020 GO:0016042 GO:0016787 GO:0035556 GO:0042383 GO:0043234 GO:0043647 GO:0098609 GO:0098641
50.060.4314.720.050.623haiA 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
60.060.4444.400.040.614bneA GO:0005737 GO:0005768 GO:0005769 GO:0005802 GO:0005829 GO:0005856 GO:0005886 GO:0005901 GO:0005925 GO:0006897 GO:0008092 GO:0008289 GO:0016020 GO:0030036 GO:0030054 GO:0030100 GO:0030659 GO:0031410 GO:0032587 GO:0042995 GO:0045806 GO:0055038 GO:0070300 GO:0070836 GO:0097320
70.060.4394.350.040.603q0kD 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
80.060.4334.570.050.603qniA 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
90.060.4055.120.030.595ca9A GO:0000166 GO:0003924 GO:0005525 GO:0005783 GO:0005789 GO:0007029 GO:0008645 GO:0009405 GO:0016020 GO:0016021 GO:0016787 GO:0035690
100.060.3463.410.030.432lemA GO:0001523 GO:0001540 GO:0001932 GO:0001935 GO:0002740 GO:0005319 GO:0005543 GO:0005548 GO:0005576 GO:0005615 GO:0005634 GO:0005829 GO:0006629 GO:0006644 GO:0006656 GO:0006695 GO:0006810 GO:0006869 GO:0006898 GO:0007186 GO:0007229 GO:0007584 GO:0008035 GO:0008104 GO:0008202 GO:0008203 GO:0008211 GO:0008289 GO:0009986 GO:0010804 GO:0010873 GO:0010898 GO:0010903 GO:0015485 GO:0015914 GO:0017127 GO:0018158 GO:0018206 GO:0019433 GO:0019899 GO:0019915 GO:0030139 GO:0030300 GO:0030301 GO:0030325 GO:0031100 GO:0031103 GO:0031210 GO:0031410 GO:0032489 GO:0033344 GO:0033700 GO:0034115 GO:0034190 GO:0034191 GO:0034361 GO:0034364 GO:0034365 GO:0034366 GO:0034372 GO:0034375 GO:0034380 GO:0035025 GO:0042157 GO:0042158 GO:0042493 GO:0042627 GO:0042632 GO:0042802 GO:0043534 GO:0043627 GO:0043691 GO:0045499 GO:0045723 GO:0046470 GO:0050713 GO:0050728 GO:0050821 GO:0050919 GO:0051006 GO:0051180 GO:0051345 GO:0051346 GO:0051496 GO:0055091 GO:0055102 GO:0060192 GO:0060228 GO:0060354 GO:0060761 GO:0070062 GO:0070328 GO:0070508 GO:0070653 GO:0071813 GO:0072562 GO:1900026 GO:1903561
110.060.2795.840.040.483qluB GO:0004872 GO:0004970 GO:0005216 GO:0005234 GO:0005783 GO:0005886 GO:0006621 GO:0006810 GO:0006811 GO:0007268 GO:0008066 GO:0008328 GO:0014069 GO:0015277 GO:0016020 GO:0016021 GO:0017124 GO:0030054 GO:0030165 GO:0030424 GO:0030425 GO:0031630 GO:0032983 GO:0034220 GO:0035235 GO:0035249 GO:0042391 GO:0042734 GO:0042802 GO:0043005 GO:0043025 GO:0043113 GO:0043195 GO:0043204 GO:0043525 GO:0045202 GO:0045211 GO:0051649 GO:0060079 GO:0071333
120.060.3206.110.020.563cfoA GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0004518 GO:0004527 GO:0006260 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0039693 GO:0071897 GO:0090305
130.060.2766.170.070.462y51A GO:0000166 GO:0008152 GO:0016491 GO:0016620 GO:0055114
140.060.2744.420.020.373q5eE GO:0000137 GO:0000139 GO:0000166 GO:0003924 GO:0005525 GO:0005737 GO:0005783 GO:0005789 GO:0005794 GO:0007029 GO:0007409 GO:0016020 GO:0016021 GO:0016787 GO:0030424 GO:0042802 GO:0042995 GO:0051260
150.060.2215.360.040.363vz2B GO:0000166 GO:0008152 GO:0016491 GO:0016620 GO:0055114
160.060.2675.440.010.432i1jA GO:0003779 GO:0005737 GO:0005856 GO:0008092 GO:0019898
170.060.2564.730.010.363x1dA GO:0000139 GO:0000166 GO:0003924 GO:0005525 GO:0005737 GO:0005783 GO:0005789 GO:0005794 GO:0005874 GO:0007019 GO:0007029 GO:0007030 GO:0007517 GO:0007528 GO:0008582 GO:0012505 GO:0016020 GO:0016021 GO:0016320 GO:0016787 GO:0031114 GO:0031227 GO:0032561 GO:0042802 GO:0042803 GO:0051124 GO:0051260 GO:0061025
180.060.2465.950.020.424idnB GO:0000137 GO:0000139 GO:0000166 GO:0003924 GO:0005525 GO:0005737 GO:0005783 GO:0005789 GO:0005794 GO:0007029 GO:0007409 GO:0016020 GO:0016021 GO:0016787 GO:0030424 GO:0042802 GO:0042995 GO:0051260


Consensus prediction of GO terms
 
Molecular Function GO:0003824
GO-Score 0.37
Biological Processes GO:0016042 GO:1903077 GO:0051607 GO:0050860 GO:0060333 GO:1900041 GO:0070373 GO:0050848 GO:1900025 GO:0050792 GO:0007223 GO:0006892 GO:0003073 GO:0007268 GO:0043647 GO:0007186 GO:0098609
GO-Score 0.15 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07
Cellular Component GO:0044444
GO-Score 0.53

(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.