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I-TASSER results for job id Rv0330c

[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
10.12 11 3btcA MGR Rep, Mult 67,96,99,110,127,130,131,197,198,201
20.08 7 5eyrA 5T0 Rep, Mult 71,74,84,85,88,89,92,130,133,136,197,200,229
30.07 6 2g0eD CGQ Rep, Mult 60,63,70,95,96,99,123,126,130
40.06 4 1jt0C QNA Rep, Mult 29,30,31,42,46,51,52
50.04 3 1jt0D QNA Rep, Mult 8,9,39,40,41,42,43,44,47,48
60.04 4 3whcA ST9 Rep, Mult 59,60,63,64,67,92,95,102,105,106,110,120,123,124,127,128,131,193,197
70.03 3 3angD DCC Rep, Mult 16,20,24,25,27
80.02 2 3lsrA QNA Rep, Mult 2,30,31,32,36,42,43,46
90.01 1 2np5C NDS Rep, Mult 35,36,38,41
100.01 1 1u9oB CNS Rep, Mult 92,103,136,197,200,201,229
110.01 1 3iuv0 III Rep, Mult 27,110,124,191,192,194,195,198,201,202,205,208,209,211,221,228,229,233
120.01 1 3btjB DEQ Rep, Mult 18,22,55,56
130.01 1 1rkwA PNT Rep, Mult 63,66,67,70,88,92,95,96,99,134,197,198

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
10.0602i2xA0.4595.590.0930.7442.1.1.9021,25,57
20.0602fhcA0.4245.290.0520.6543.2.1.4175,175,188,192
30.0603g0bB0.4345.650.0760.7033.4.14.5NA
40.0602z1qB0.4425.190.0560.6871.3.99.3NA
50.0602ix6E0.4355.240.0280.6711.3.3.6102,126
60.0601bucB0.4475.240.0540.6871.3.99.2NA
70.0602uxwA0.4514.880.0410.6751.3.99.-NA
80.0601wgzA0.4235.960.0680.7283.4.24.66NA
90.0602cseW0.4245.660.0680.6993.6.4.13NA
100.0602d0tB0.4765.810.0660.7931.13.11.52NA
110.0603mddA0.4515.050.0350.6831.3.99.365
120.0601bf2A0.4245.760.0490.7203.2.1.68NA
130.0602ix6A0.4455.080.0410.6791.3.3.6NA
140.0602fhbA0.4245.250.0480.6543.2.1.41NA
150.0602wbiB0.4405.150.0780.6751.3.99.-NA
160.0601n63B0.4446.590.0410.8291.2.99.2NA
170.0603czkA0.4315.830.0620.7033.2.1.48NA
180.0602ebaA0.4465.120.0970.6871.3.99.757
190.0602c6fA0.4586.250.0720.7853.4.15.1NA

(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
00.340.5863.600.180.763mnlA GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0042803
10.330.5733.750.110.761jt0A GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0045892
20.300.5443.660.160.702np3B GO:0003677 GO:0006351 GO:0006355
30.290.5713.480.130.733f1bA GO:0003677 GO:0006351 GO:0006355
40.280.5583.460.150.704aciB GO:0000287 GO:0003677 GO:0006351 GO:0006355 GO:0046872
50.280.6483.380.110.823bcgA GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0008144 GO:0042493 GO:0043565 GO:0045892
60.280.5563.730.120.733vprA GO:0003677 GO:0006351 GO:0006355 GO:0042802
70.270.6053.500.120.782wuiA GO:0003677 GO:0006351 GO:0006355
80.270.5713.610.100.754l62A GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355
90.270.5703.440.100.723on4A GO:0003677 GO:0006351 GO:0006355
100.270.5134.190.130.703b81A GO:0003677 GO:0006351 GO:0006355
110.260.5413.310.110.674hkuA GO:0003677 GO:0006351 GO:0006355
120.260.5893.520.110.753ppbA GO:0003677 GO:0006351 GO:0006355
130.250.5873.350.150.722hxoA GO:0003677 GO:0006351 GO:0006355 GO:0045892
140.250.5073.590.100.673egqA GO:0003677 GO:0006351 GO:0006355
150.250.5783.720.130.763pasB GO:0003677 GO:0006351 GO:0006355
160.240.4973.530.170.652qwtA GO:0003677 GO:0006351 GO:0006355
170.240.5812.680.140.683bniA GO:0003677 GO:0006351 GO:0006355
180.240.5473.650.160.713vuqC GO:0003677 GO:0006351 GO:0006355
190.230.5643.620.090.733geuA GO:0003677 GO:0006351 GO:0006355
200.230.6323.340.100.803vibC GO:0003677 GO:0006351 GO:0006355
210.230.5823.550.130.763c2bA GO:0003677 GO:0006351 GO:0006355
220.220.5863.270.130.723dcfA GO:0003677 GO:0006351 GO:0006355
230.220.5413.950.160.732of7A GO:0003677 GO:0006351 GO:0006355
240.220.5463.630.100.703ccyA GO:0003677 GO:0006351 GO:0006355
250.220.5823.490.140.754yzeA GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0045892
260.220.6313.420.120.803lhqA GO:0003677 GO:0003700 GO:0006351 GO:0006355
270.220.6043.480.150.793qbmA GO:0003677 GO:0003700 GO:0006351 GO:0006355
280.210.5703.560.120.722zcnD GO:0003677 GO:0006351 GO:0006355
290.210.6053.360.140.762hytA GO:0003677 GO:0006351 GO:0006355
300.210.6073.260.170.762g3bA GO:0003677 GO:0006351 GO:0006355
310.210.5393.890.110.712zozB GO:0003677 GO:0006351 GO:0006355
320.200.6073.430.130.774ichA GO:0003677 GO:0006351 GO:0006355
330.200.5753.710.120.752y31A GO:0003677 GO:0006351 GO:0006355 GO:0045892
340.200.5943.430.140.762genA GO:0003677 GO:0003700 GO:0006351 GO:0006355
350.200.5093.880.080.662iaiA GO:0003677 GO:0006351 GO:0006355
360.200.5423.870.100.723dewA GO:0003677 GO:0006351 GO:0006355 GO:0016020 GO:0016021
370.200.5743.800.200.763cwrA GO:0003677 GO:0006351 GO:0006355
380.200.5773.580.100.753he0C GO:0003677 GO:0006351 GO:0006355
390.200.6443.170.090.793hggA GO:0003677 GO:0006351 GO:0006355
400.200.6113.680.170.784cgrA GO:0003677 GO:0006351 GO:0006355
410.190.7012.620.130.805d18A GO:0003677 GO:0006351 GO:0006355
420.190.6323.340.140.803lsjA GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0045922
430.190.5553.840.130.743cdlB GO:0003677 GO:0006351 GO:0006355
440.190.5463.880.100.721z0xA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677
450.190.5683.600.090.743qkxA GO:0003677 GO:0006351 GO:0006355
460.180.5583.860.080.744auxA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677 GO:0046872
470.180.5304.220.080.734me9A GO:0003677 GO:0006351 GO:0006355
480.170.5813.290.140.723htaA GO:0003677 GO:0006351 GO:0006355
490.170.6093.570.120.782id6A GO:0003677 GO:0006351 GO:0006355
500.170.5304.070.070.724pxiB GO:0003677 GO:0006351 GO:0006355
510.170.5494.270.120.764nn1A GO:0003677 GO:0003700 GO:0006351 GO:0006355
520.170.5454.180.090.743gziA GO:0003677 GO:0006351 GO:0006355
530.170.5893.650.160.783eupA GO:0003677 GO:0006351 GO:0006355
540.170.5593.810.110.744mxmA GO:0003677 GO:0006351 GO:0006355
550.160.5463.880.070.724w97A GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0010468 GO:0019217
560.160.6262.940.140.763whcA GO:0003677 GO:0005737 GO:0006351 GO:0006355 GO:0006629 GO:0006631 GO:0016042
570.160.5653.700.090.744mk6A GO:0003677 GO:0006351 GO:0006355
580.150.5243.850.100.693colA GO:0003677 GO:0006351 GO:0006355
590.150.6443.020.130.783lwjA GO:0003677 GO:0006351 GO:0006355
600.150.6083.850.130.783npiA GO:0003677 GO:0006351 GO:0006355
610.140.6313.210.180.803bhqA GO:0003677 GO:0006351 GO:0006355
620.140.5173.880.060.692ibdA GO:0003677 GO:0006351 GO:0006355
630.130.6193.450.140.775h9tH GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0051051
640.130.5324.200.120.725d1wD GO:0003677 GO:0006351 GO:0006355
650.120.5274.150.090.733nnrA GO:0003677 GO:0006351 GO:0006355
660.110.5863.050.160.724jl3C GO:0003677 GO:0006351 GO:0006355
670.090.6013.270.140.752zcxA GO:0003677 GO:0006351 GO:0006355
680.090.6223.510.120.802uxhA GO:0003677 GO:0006351 GO:0006355
690.090.5763.470.140.733himB GO:0003677 GO:0006351 GO:0006355
700.080.5603.690.140.743bruA GO:0003677 GO:0006351 GO:0006355
710.080.5573.610.070.713frqA GO:0003677 GO:0006351 GO:0006355 GO:0016740
720.080.5673.240.100.713knwA GO:0003677 GO:0006351 GO:0006355
730.080.6453.400.130.803c07A GO:0003677 GO:0006351 GO:0006355
740.080.5653.650.090.732g7sA GO:0003677 GO:0006351 GO:0006355
750.080.5633.090.110.692eh3A GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0046872
760.070.5993.680.140.773p9tA GO:0003677 GO:0006351 GO:0006355
770.070.5253.470.130.672fd5A GO:0003677 GO:0003700 GO:0006351 GO:0006355
780.070.5663.760.160.763dpjA GO:0003677 GO:0006351 GO:0006355
790.070.5593.260.090.701sgmA GO:0003677 GO:0006351 GO:0006355
800.070.5023.980.100.683kkcA GO:0003677 GO:0006351 GO:0006355
810.070.5503.800.080.732vprA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677 GO:0046872
820.070.5413.830.100.712raeA GO:0003677 GO:0006351 GO:0006355
830.070.5534.260.090.763nrgA GO:0003677 GO:0003700 GO:0006351 GO:0006355
840.070.5254.300.080.722qtqA GO:0003677 GO:0006351 GO:0006355
850.070.5194.520.120.762fbqA GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0044212 GO:0045893 GO:0050714
860.070.5324.320.090.743s5rA GO:0003677 GO:0006351 GO:0006355
870.070.5083.670.120.672guhA GO:0003677 GO:0006351 GO:0006355
880.070.5134.360.100.733rh2A GO:0003677 GO:0006351 GO:0006355
890.070.4664.600.060.652i10B GO:0003677 GO:0006351 GO:0006355


Consensus prediction of GO terms
 
Molecular Function GO:0046872 GO:0003700 GO:0000976 GO:0042803
GO-Score 0.57 0.56 0.34 0.34
Biological Processes GO:0045892
GO-Score 0.33
Cellular Component GO:0005829
GO-Score 0.34

(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.