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I-TASSER results for job id Rv1474c

[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 4 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
10.12 26 1jtxA CVI Rep, Mult 70,89,90,93,103,120,123,124,154,155,158,162
20.10 24 3p9tA TCL Rep, Mult 63,67,70,89,96,99
30.10 21 3o8hA O8H Rep, Mult 80,83,120,127,130,131,153,156,157,160,161,164
40.05 8 1jt0A QNA Rep, Mult 33,34,45,49,54,55
50.05 9 1jt0D QNA Rep, Mult 11,12,42,43,44,45,46,47,50,51
60.03 6 2uxiB G50 Rep, Mult 66,96,116,120,158
70.03 6 3anpD DCC Rep, Mult 159,162,163,167,168,171
80.03 7 3angD DCC Rep, Mult 66,86,100,104,107,114,115,118,121,145,148,151,154,155,158
90.02 4 3btjB DEQ Rep, Mult 97,100,162,163
100.02 4 3lsrA QNA Rep, Mult 4,33,34,35,39,45,46,49
110.01 3 2i10A NPO Rep, Mult 166,167,169
120.01 3 1vi0A DCC Rep, Mult 63,66,67,86,99,113,117,120,121,124,148,150,151,154
130.01 2 2np5C NDS Rep, Mult 106,107,109,113
140.01 2 3bqzA IMD Rep, Mult 120,123
150.00 1 3angB DCC Rep, Mult 163,167,171,172,175,179
160.00 1 2id3B CA Rep, Mult 36,40
170.00 1 3btjB DEQ Rep, Mult 21,24,58,59
180.00 1 2id3A CA Rep, Mult 75,133
190.00 1 1rkwA PNT Rep, Mult 66,69,70,73,82,86,89,90,93,127,154,157,158
200.00 1 2uxiA G50 Rep, Mult 105,162

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
10.0602r72A0.4645.490.0830.8072.7.7.4853
20.0602e8yA0.4574.430.0680.6953.2.1.4113,54
30.0601rboB0.4464.210.0650.6584.1.1.3950
40.0601rblA0.4464.240.0560.6584.1.1.39NA
50.0602oniA0.4374.960.0530.7016.3.2.-NA
60.0601yq2A0.4365.700.0540.7653.2.1.23NA
70.0601rsrB0.4405.260.0500.7431.17.4.137
80.0603a47A0.4384.690.0690.7013.2.1.1050
90.0601biqB0.4375.350.0490.7541.17.4.1NA
100.0602a7sA0.4444.770.0680.6846.4.1.3NA
110.0602d0tB0.4575.280.0300.7751.13.11.5239,45
120.0603nztA0.4745.510.0490.8506.3.2.2NA
130.0603dpgA0.4395.630.0550.8073.1.21.4NA
140.0602cerA0.4435.620.0730.8023.2.1.2354
150.0602pulA0.4605.100.0920.7972.7.1.1003
160.0602vr5A0.4435.300.0770.7653.2.1.-NA
170.0601xnvA0.4494.450.0810.6746.4.1.3NA
180.0602uxwA0.4365.480.0270.7591.3.99.-65
190.0602vncB0.3735.200.0340.6263.2.1.-18

(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
00.550.8811.530.540.954aciB GO:0000287 GO:0003677 GO:0006351 GO:0006355 GO:0046872
10.420.7472.930.140.954l62A GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355
20.370.5973.830.170.842np3B GO:0003677 GO:0006351 GO:0006355
30.340.7602.550.170.923whcA GO:0003677 GO:0005737 GO:0006351 GO:0006355 GO:0006629 GO:0006631 GO:0016042
40.340.6973.460.170.943on4A GO:0003677 GO:0006351 GO:0006355
50.330.6723.590.130.893ppbA GO:0003677 GO:0006351 GO:0006355
60.320.7083.280.110.931jt0A GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0045892
70.320.7982.860.130.991rktA GO:0003677 GO:0006351 GO:0006355
80.320.7303.010.150.943bruA GO:0003677 GO:0006351 GO:0006355
90.320.7972.420.160.953crjA GO:0003677
100.320.7423.070.150.963vibC GO:0003677 GO:0006351 GO:0006355
110.300.6523.050.140.822zozB GO:0003677 GO:0006351 GO:0006355
120.300.7303.380.160.973bcgA GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0008144 GO:0042493 GO:0043565 GO:0045892
130.300.6843.600.170.933on2B GO:0003677 GO:0006351 GO:0006355
140.300.7413.290.130.963lhqA GO:0003677 GO:0003700 GO:0006351 GO:0006355
150.300.7553.040.150.963qbmA GO:0003677 GO:0003700 GO:0006351 GO:0006355
160.300.7223.220.180.943e7qB GO:0003677 GO:0003700 GO:0006351 GO:0006355
170.290.5563.650.190.783ljlA GO:0003677
180.290.7542.920.110.963eupA GO:0003677 GO:0006351 GO:0006355
190.290.7592.820.190.964ichA GO:0003677 GO:0006351 GO:0006355
200.280.6683.150.190.833bniA GO:0003677 GO:0006351 GO:0006355
210.280.7133.510.160.963lsjA GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0045922
220.280.6793.280.170.912id6A GO:0003677 GO:0006351 GO:0006355
230.280.7273.090.170.953bhqA GO:0003677 GO:0006351 GO:0006355
240.270.6153.560.150.824hkuA GO:0003677 GO:0006351 GO:0006355
250.260.7193.080.140.932hkuA GO:0003677 GO:0006351 GO:0006355
260.260.6603.680.130.923pasB GO:0003677 GO:0006351 GO:0006355
270.260.7573.020.160.962nx4A GO:0003677 GO:0006351 GO:0006355
280.250.5843.780.120.802iaiA GO:0003677 GO:0006351 GO:0006355
290.250.6803.260.130.902zcnD GO:0003677 GO:0006351 GO:0006355
300.250.7332.830.120.933lwjA GO:0003677 GO:0006351 GO:0006355
310.250.7492.530.190.912np5A GO:0003677 GO:0006351 GO:0006355
320.240.6753.540.170.943angC GO:0003677 GO:0006351 GO:0006355
330.240.6993.240.150.932hytA GO:0003677 GO:0006351 GO:0006355
340.240.6653.880.160.913vprA GO:0003677 GO:0006351 GO:0006355 GO:0042802
350.230.7133.120.180.932genA GO:0003677 GO:0003700 GO:0006351 GO:0006355
360.230.6693.120.190.872pz9A GO:0003677 GO:0003700 GO:0006351 GO:0006355
370.220.5924.110.140.883dewA GO:0003677 GO:0006351 GO:0006355 GO:0016020 GO:0016021
380.220.6263.650.150.853zqfA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677 GO:0046872
390.220.6503.540.120.862y31A GO:0003677 GO:0006351 GO:0006355 GO:0045892
400.220.6693.520.140.894nn1A GO:0003677 GO:0003700 GO:0006351 GO:0006355
410.220.6703.040.180.863dcfA GO:0003677 GO:0006351 GO:0006355
420.210.6403.660.150.873zqgA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677 GO:0046872
430.200.5814.260.100.864me9A GO:0003677 GO:0006351 GO:0006355
440.200.6333.660.190.893vuqC GO:0003677 GO:0006351 GO:0006355
450.200.5783.890.090.812ibdA GO:0003677 GO:0006351 GO:0006355
460.190.5824.420.130.863b81A GO:0003677 GO:0006351 GO:0006355
470.190.6653.450.140.913he0C GO:0003677 GO:0006351 GO:0006355
480.190.7212.930.120.901sgmA GO:0003677 GO:0006351 GO:0006355
490.190.6453.730.090.893s5rA GO:0003677 GO:0006351 GO:0006355
500.190.6473.920.160.934pxiB GO:0003677 GO:0006351 GO:0006355
510.180.7353.130.150.932qibA GO:0003677 GO:0003700 GO:0006351 GO:0006355
520.180.6353.780.160.893cdlB GO:0003677 GO:0006351 GO:0006355
530.180.6214.020.100.894w97A GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0010468 GO:0019217
540.170.7093.350.160.955h9tH GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0051051
550.170.6163.900.120.893ccyA GO:0003677 GO:0006351 GO:0006355
560.170.6533.560.200.894mxmA GO:0003677 GO:0006351 GO:0006355
570.170.6263.430.190.844auxA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677 GO:0046872
580.150.7443.050.140.962hyjA GO:0003677 GO:0003700 GO:0006351 GO:0006355
590.150.7373.240.170.972uxhA GO:0003677 GO:0006351 GO:0006355
600.140.6163.540.190.843bqyA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677
610.140.7273.120.160.952g7sA GO:0003677 GO:0006351 GO:0006355
620.140.7143.400.210.943c07A GO:0003677 GO:0006351 GO:0006355
630.120.6703.640.090.933geuA GO:0003677 GO:0006351 GO:0006355
640.120.7033.280.140.953dpjA GO:0003677 GO:0006351 GO:0006355
650.120.6983.240.150.915d18A GO:0003677 GO:0006351 GO:0006355
660.110.6842.840.150.862eh3A GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0046872
670.110.7433.080.170.953p9tA GO:0003677 GO:0006351 GO:0006355
680.100.6893.280.130.912zcxA GO:0003677 GO:0006351 GO:0006355
690.100.6983.170.160.903npiA GO:0003677 GO:0006351 GO:0006355
700.090.6593.630.130.911t33A GO:0003677 GO:0003700 GO:0006351 GO:0006355
710.090.6353.660.170.892guhA GO:0003677 GO:0006351 GO:0006355
720.090.6913.290.130.913rh2A GO:0003677 GO:0006351 GO:0006355
730.090.6713.500.140.913himB GO:0003677 GO:0006351 GO:0006355
740.090.6094.200.120.862i10B GO:0003677 GO:0006351 GO:0006355
750.080.5724.500.110.873nrgA GO:0003677 GO:0003700 GO:0006351 GO:0006355
760.070.6183.840.110.893aqtB GO:0003677 GO:0006351 GO:0006355
770.070.6023.760.120.842raeA GO:0003677 GO:0006351 GO:0006355
780.070.6164.020.140.892fbqA GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0044212 GO:0045893 GO:0050714
790.070.6233.420.170.842vprA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677 GO:0046872
800.070.5694.270.160.852dg7A GO:0003677 GO:0006351 GO:0006355
810.070.5634.280.080.825dy0A GO:0003677 GO:0006351 GO:0006355


Consensus prediction of GO terms
 
Molecular Function GO:0000287 GO:0000976 GO:0003700
GO-Score 0.55 0.42 0.42
Biological Processes GO:0006355 GO:0006631 GO:0016042
GO-Score 0.93 0.34 0.34
Cellular Component GO:0005829
GO-Score 0.42

(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.