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

I-TASSER results for job id Rv1129c

[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
10.11 6 3ufdE NUC Rep, Mult 26,32,33,44,45,48,52,53,58
20.06 3 2c63B III Rep, Mult 82,89,171,172,204,205,206,239,242,246
30.06 3 1mz9B VDY Rep, Mult 113,116,120
40.04 2 3s8qB NUC Rep, Mult 41,42,43,44,45,46,55,56,57,58,61
50.04 2 2dysA DCW Rep, Mult 121,173,176
60.04 2 1o6oA III Rep, Mult 274,277,278,282,314,317,320,321
70.02 1 3wmmQ CRT Rep, Mult 251,254,258
80.02 1 3sjqC PHU Rep, Mult 41,42
90.02 1 3nteA FE Rep, Mult 48,52
100.02 1 1f59A III Rep, Mult 30,33,34,37,38,87,91,95
110.02 1 2iy4N FE Rep, Mult 126,129
120.02 1 1f59B III Rep, Mult 59,63,66,67,127,131
130.02 1 3rf3A III Rep, Mult 34,35,50
140.02 1 3mg9A GHP Rep, Mult 173,177
150.02 1 1u6g0 III Rep, Mult 40,41,95,96

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
10.0601lf6A0.3617.060.0420.5703.2.1.3NA
20.0601z1wA0.3826.750.0420.5933.4.11.-51
30.0601rw9A0.3926.790.0390.6134.2.2.5NA
40.0602vn7A0.3846.610.0610.5913.2.1.3NA
50.0602ri9B0.3666.730.0520.5533.2.1.11362,115
60.0602j5wA0.4196.920.0460.6561.16.3.1NA
70.0601hcuB0.3636.680.0620.5563.2.1.113NA
80.0601fo2A0.3646.660.0370.5493.2.1.113NA
90.0601fmiA0.3666.830.0370.5643.2.1.113NA
100.0601llwA0.3647.500.0370.6091.4.7.1NA
110.0602dqmA0.3797.240.0510.6173.4.11.2NA
120.0602eabA0.4246.930.0390.6653.2.1.63325
130.0603dy5A0.3746.800.0450.5801.13.11.40,4.2.1.92NA
140.0602fhcA0.3807.320.0730.6283.2.1.4148,53
150.0601h54B0.3736.870.0550.5742.4.1.8146
160.0601l5jA0.3637.430.0480.6034.2.1.3NA
170.0603fg3A0.2977.960.0490.5214.2.1.92,1.13.11.40NA
180.0601ug9A0.3647.050.0510.5763.2.1.70NA
190.0601dl2A0.3706.740.0560.5683.2.1.113NA

(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
00.160.8012.880.090.884um2A GO:0000184 GO:0000333 GO:0000723 GO:0000781 GO:0003677 GO:0004518 GO:0004519 GO:0004521 GO:0005634 GO:0005694 GO:0005697 GO:0005730 GO:0005737 GO:0005829 GO:0006406 GO:0016787 GO:0032210 GO:0035145 GO:0035303 GO:0042162 GO:0043021 GO:0046872 GO:0070034 GO:0070182 GO:0090305 GO:0090502 GO:1904354
10.100.3127.300.030.511n1zA GO:0000287 GO:0008152 GO:0009507 GO:0009536 GO:0010333 GO:0016829 GO:0016853 GO:0046211 GO:0046872 GO:0047926
20.070.6623.840.070.781ya0B GO:0000184 GO:0005634 GO:0005737 GO:0005829 GO:0006406 GO:0035303 GO:0042162 GO:0045111 GO:0051721
30.070.5684.370.090.703zheB GO:0000184 GO:0005634 GO:0005737
40.070.4747.070.080.764ifqA GO:0000059 GO:0005634 GO:0005643 GO:0006810 GO:0006999 GO:0015031 GO:0017056 GO:0044611 GO:0046822 GO:0051028
50.070.3996.970.070.645hb4B GO:0005634 GO:0005643 GO:0006810 GO:0015031 GO:0051028
60.070.4756.980.080.754knhA GO:0005634 GO:0005643 GO:0006810 GO:0015031 GO:0051028
70.060.4396.790.060.685ijnD GO:0000059 GO:0005634 GO:0005635 GO:0005643 GO:0005654 GO:0005737 GO:0006406 GO:0006409 GO:0006810 GO:0006913 GO:0007077 GO:0010827 GO:0015031 GO:0016020 GO:0016032 GO:0016925 GO:0017056 GO:0019083 GO:0031047 GO:0031965 GO:0034399 GO:0044611 GO:0051028 GO:0051292 GO:0075733 GO:1900034
80.060.4766.920.050.754knhB GO:0005634 GO:0005643 GO:0006810 GO:0015031 GO:0051028
90.060.3306.860.040.525a31J GO:0005634 GO:0005654 GO:0005680 GO:0005737 GO:0005813 GO:0005815 GO:0005819 GO:0005829 GO:0005856 GO:0005876 GO:0007049 GO:0007067 GO:0007088 GO:0008283 GO:0016567 GO:0031145 GO:0042787 GO:0043161 GO:0051301 GO:0051436 GO:0051437 GO:0051439 GO:0070979
100.060.2985.360.080.402c0mC GO:0000268 GO:0005052 GO:0005622 GO:0005737 GO:0005777 GO:0005778 GO:0005782 GO:0005829 GO:0006625 GO:0006810 GO:0008022 GO:0015031 GO:0016020 GO:0016558 GO:0016560 GO:0016561 GO:0019899 GO:0031267 GO:0043234 GO:0045046 GO:0047485 GO:0051262 GO:1901094
110.060.2875.100.050.373cv0A GO:0005052 GO:0005778 GO:0005829 GO:0016560
120.060.2845.320.060.374eqfA GO:0000268 GO:0005052 GO:0005737 GO:0005778 GO:0005829 GO:0016020 GO:0016560 GO:0030425 GO:0031267 GO:0042391 GO:0043235 GO:0043949 GO:0045185
130.060.2985.140.070.392gw1A GO:0005739 GO:0005741 GO:0005742 GO:0006626 GO:0006886 GO:0015266 GO:0015450 GO:0016020 GO:0016021 GO:0030150 GO:0030943 GO:0031307 GO:0045039
140.060.2567.380.080.413mznA GO:0003824 GO:0008152 GO:0008872 GO:0016829 GO:0046872
150.060.2774.800.060.351w3bA GO:0000123 GO:0000791 GO:0001933 GO:0001934 GO:0005547 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005829 GO:0005886 GO:0006041 GO:0006110 GO:0006486 GO:0006493 GO:0006915 GO:0007165 GO:0007584 GO:0008047 GO:0008134 GO:0008289 GO:0008375 GO:0010628 GO:0010801 GO:0016020 GO:0016262 GO:0016568 GO:0016740 GO:0016757 GO:0019904 GO:0030854 GO:0030900 GO:0031397 GO:0032868 GO:0032869 GO:0032922 GO:0033137 GO:0035020 GO:0042277 GO:0042588 GO:0043005 GO:0043025 GO:0043085 GO:0043981 GO:0043982 GO:0043984 GO:0043995 GO:0043996 GO:0045793 GO:0045862 GO:0045944 GO:0046626 GO:0046972 GO:0048015 GO:0048029 GO:0048312 GO:0048511 GO:0051571 GO:0060548 GO:0061087 GO:0070207 GO:0070208 GO:0070688 GO:0071222 GO:0071300 GO:0071333 GO:0080182 GO:0090315 GO:0090526 GO:0097237 GO:0097363 GO:1900038 GO:1900182 GO:1903428
160.060.2804.840.050.361w3bB GO:0000123 GO:0000791 GO:0001933 GO:0001934 GO:0005547 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005829 GO:0005886 GO:0006041 GO:0006110 GO:0006486 GO:0006493 GO:0006915 GO:0007165 GO:0007584 GO:0008047 GO:0008134 GO:0008289 GO:0008375 GO:0010628 GO:0010801 GO:0016020 GO:0016262 GO:0016568 GO:0016740 GO:0016757 GO:0019904 GO:0030854 GO:0030900 GO:0031397 GO:0032868 GO:0032869 GO:0032922 GO:0033137 GO:0035020 GO:0042277 GO:0042588 GO:0043005 GO:0043025 GO:0043085 GO:0043981 GO:0043982 GO:0043984 GO:0043995 GO:0043996 GO:0045793 GO:0045862 GO:0045944 GO:0046626 GO:0046972 GO:0048015 GO:0048029 GO:0048312 GO:0048511 GO:0051571 GO:0060548 GO:0061087 GO:0070207 GO:0070208 GO:0070688 GO:0071222 GO:0071300 GO:0071333 GO:0080182 GO:0090315 GO:0090526 GO:0097237 GO:0097363 GO:1900038 GO:1900182 GO:1903428
170.060.1746.070.040.254dwjB GO:0000166 GO:0004798 GO:0005524 GO:0006233 GO:0006235 GO:0009165 GO:0016301 GO:0016310 GO:0016740 GO:0046939
180.060.2033.630.040.242vyiA GO:0005737 GO:0005829 GO:0016020 GO:0016032 GO:1903071 GO:1904288


Consensus prediction of GO terms
 
Molecular Function GO:0043169 GO:0043565 GO:0019899 GO:0044877 GO:0004540 GO:0003723 GO:0004519
GO-Score 0.48 0.44 0.32 0.32 0.32 0.32 0.32
Biological Processes GO:0000956 GO:0006405 GO:0071427 GO:0010467 GO:0016311 GO:0051028 GO:0019220 GO:0032205 GO:1904356 GO:2000278 GO:0007004 GO:1904353 GO:0090501
GO-Score 0.55 0.44 0.44 0.44 0.44 0.44 0.44 0.32 0.32 0.32 0.32 0.32 0.32
Cellular Component GO:0044444 GO:0031981 GO:0043234 GO:0005697 GO:0098687
GO-Score 0.44 0.32 0.32 0.32 0.32

(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.