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I-TASSER results for job id Rv0519c

[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
10.31 10 1dqyA DEP Rep, Mult 109,110,185,186,187,213,287
20.10 5 2ripA UUU Rep, Mult 90,91,92,140,141,142
30.04 2 2buaC UUU Rep, Mult 194,231,234,235,240
40.04 2 3hrhB GOL Rep, Mult 148,149,150,159,194,195,226,235
50.02 1 3muoA ZPR Rep, Mult 106,139,183,185,186,211,282,291,295
60.02 1 3hrhB GOL Rep, Mult 85,87,88,89,142
70.02 1 1f0nA MPD Rep, Mult 186,187,218,219,259
80.02 1 3i6yB CL Rep, Mult 110,186,187,221
90.02 1 3hrhB GOL Rep, Mult 148,187,190,191,213,216,226,235
100.02 1 3hrhA GOL Rep, Mult 192,196,206
110.02 1 3fcxA CA Rep, Mult 255,256,257,281,282

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
10.2341i6wB0.4612.970.1600.5433.1.1.3186,187,282
20.2312h1iA0.5003.320.1580.6033.1.1.1112,118,120,142,144,186,212
30.2313c6bA0.6822.220.1460.7503.1.2.12187,282
40.2243cn7A0.5172.890.1790.5973.1.1.1186,256,282
50.2052ocgA0.5703.300.1630.6833.1.-.-107,186,188,192,256,282
60.2053fcxB0.6872.050.1380.7473.1.2.12186
70.2031auoA0.5312.940.2050.6173.1.1.1186,282
80.1921vkhA0.5943.290.0980.7103.5.1.9NA
90.1071fj2A0.5403.060.1370.6333.1.4.39111
100.0761jjiA0.6573.790.1390.8133.1.1.1NA
110.0711dinA0.5403.030.1520.6373.1.1.45NA
120.0702o7rA0.6333.750.1430.7873.1.1.1186
130.0671j1iA0.5613.430.1320.6703.7.1.8186
140.0603fakA0.6333.760.1210.7833.1.1.-186,282
150.0601qz3A0.6493.900.1240.8133.1.1.1186
160.0603ga7A0.6423.440.1360.7773.1.1.-288
170.0601jjfA0.6892.600.2030.7673.2.1.8112,148,187,283
180.0602qr5A0.6773.990.1050.8503.4.19.1186
190.0601hlgA0.6153.630.1140.7503.1.1.3NA
200.0601orvA0.6754.070.1250.8433.4.14.5186
210.0601z68A0.6754.120.1530.8503.4.21.-186,256,282
220.0601wb4B0.6632.650.1440.7473.2.1.8187,288
230.0602pm8A0.6243.600.0900.7633.1.1.8NA
240.0601gz7C0.6283.450.1110.7533.1.1.3NA
250.0602o7vA0.6323.770.1590.7833.4.23.16109,143,186
260.0601maaD0.6283.580.0890.7633.1.1.7NA
270.0601qo9A0.6213.720.0850.7633.1.1.7NA
280.0601gz7A0.6293.600.1150.7603.1.1.3NA
290.0601k8qA0.6253.460.1180.7533.1.1.3NA
300.0601mx9D0.6233.550.1260.7573.1.1.1NA
310.0602fj0A0.6253.740.1120.7733.1.1.1NA
320.0601yr2A0.6453.710.1010.7973.4.21.26186

(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
00.270.6892.600.200.771jjfA GO:0000272 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0030246 GO:0031176 GO:0033905 GO:0045493
10.270.6642.170.230.732uz0A
20.260.6762.480.160.751dqyA GO:0004144 GO:0005576 GO:0005618 GO:0006869 GO:0009247 GO:0016740 GO:0016746 GO:0016747 GO:0046677 GO:0050348 GO:0071769
30.250.5793.000.170.674cg3A GO:0003847 GO:0015996 GO:0016042 GO:0016787 GO:0047746 GO:0050525
40.250.5423.020.180.633u0vA GO:0002084 GO:0004622 GO:0005737 GO:0005829 GO:0008474 GO:0016787 GO:0052689 GO:0070062
50.240.6932.860.160.795cxxB GO:0016787 GO:0030600
60.240.5752.920.170.664eb0A GO:0003847 GO:0016042 GO:0016787 GO:0050525
70.230.5413.000.140.633trdA GO:0016787
80.220.5823.310.140.691ufoA GO:0016020 GO:0016021
90.220.5773.130.150.673visA GO:0003847 GO:0015996 GO:0016042 GO:0046872 GO:0047746
100.210.6632.640.140.751gklA GO:0000272 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0031176 GO:0043263 GO:0045493
110.200.6942.090.170.764b6gA GO:0016787 GO:0018738 GO:0046294 GO:0052689
120.190.7001.910.180.753i6yA GO:0016787 GO:0018738 GO:0046294 GO:0052689
130.180.4933.830.150.624h0cA GO:0016787
140.180.6712.180.150.741sfrA GO:0004144 GO:0005576 GO:0005618 GO:0005737 GO:0005886 GO:0016740 GO:0016746 GO:0016747 GO:0044119 GO:0044121 GO:0050348
150.170.6872.050.140.753fcxB GO:0005737 GO:0005788 GO:0016023 GO:0016787 GO:0016788 GO:0018738 GO:0031410 GO:0046294 GO:0047374 GO:0052689 GO:0070062 GO:1901687
160.170.4943.560.150.612r8bA GO:0016787
170.160.5383.280.150.644ke6E GO:0016787 GO:0047372 GO:0052689
180.150.5442.970.150.642i3dB GO:0016787
190.140.6244.030.080.794e15B GO:0004061 GO:0006569 GO:0008152 GO:0016272 GO:0016787 GO:0019441
200.140.5973.150.150.703pf8A GO:0016787
210.140.6843.700.180.843mgaA GO:0005506 GO:0005737 GO:0006826 GO:0008849
220.130.5643.260.170.674wfiA GO:0003847 GO:0016042 GO:0046872
230.120.5853.550.150.713hjuA GO:0004622 GO:0005654 GO:0005737 GO:0005789 GO:0005829 GO:0005886 GO:0006629 GO:0006631 GO:0006633 GO:0006954 GO:0009966 GO:0016020 GO:0016042 GO:0016787 GO:0019369 GO:0019433 GO:0019898 GO:0036155 GO:0042803 GO:0046464 GO:0047372 GO:0050727 GO:0051930 GO:0052689 GO:2000124
240.110.7001.910.150.753ls2A GO:0016787 GO:0018738 GO:0046294 GO:0052689
250.110.5172.890.180.603cn7A GO:0002084 GO:0005737 GO:0008474 GO:0016787 GO:0052689
260.100.6842.240.150.751pv1A GO:0005737 GO:0005829 GO:0016787 GO:0018738 GO:0046294 GO:0052689
270.100.6772.300.160.751f0nA GO:0004144 GO:0005576 GO:0005618 GO:0005886 GO:0016740 GO:0016746 GO:0016747 GO:0040007 GO:0044119 GO:0046677 GO:0050348 GO:0052572
280.090.6932.090.160.763e4dA GO:0016787 GO:0018738 GO:0046294 GO:0046872 GO:0052689
290.080.5882.740.160.683f67A GO:0016787
300.080.5963.040.160.702wtmA
310.080.6493.900.120.811qz3A GO:0008152 GO:0016787
320.070.5312.940.200.621auoA GO:0016787 GO:0052689
330.070.6843.880.180.842b20A GO:0005506 GO:0005737 GO:0006826 GO:0008849 GO:0016787
340.070.5693.630.130.711u2eA GO:0003824 GO:0005737 GO:0016787 GO:0018771 GO:0019380 GO:0019439 GO:0019622 GO:0042803 GO:0052823
350.070.5743.770.150.713p2mA GO:0052689
360.070.5943.490.120.714opmA GO:0004806 GO:0016787
370.070.6113.710.120.743dohA GO:0002084 GO:0005737 GO:0008474 GO:0016787 GO:0052689
380.070.5603.230.150.664dgqA GO:0004601 GO:0016491 GO:0016691 GO:0055114 GO:0098869
390.070.5653.470.130.694i3fA GO:0016787
400.070.5393.230.150.644lheA GO:0016787 GO:0047372 GO:0052689
410.070.5533.260.170.653heaA GO:0003824 GO:0004064 GO:0004601 GO:0016491 GO:0016787 GO:0055114 GO:0098869
420.070.5553.460.150.673fobA GO:0003824 GO:0004601 GO:0009636 GO:0016491 GO:0016691 GO:0016787 GO:0019806 GO:0055114 GO:0098869
430.070.5513.120.160.651a8sA GO:0003824 GO:0004601 GO:0016491 GO:0016691 GO:0055114 GO:0098869
440.070.5513.020.160.641a8qA GO:0003824 GO:0004601 GO:0016491 GO:0017000 GO:0055114 GO:0098869
450.070.5643.730.120.712og1A GO:0003824 GO:0016787 GO:0016823 GO:0018771 GO:0018774 GO:0019439
460.070.6343.470.100.784eziA GO:0004806 GO:0016042
470.070.5693.860.160.714ns4A GO:0016787 GO:0016788
480.070.5693.480.120.703b12A GO:0003824 GO:0016787 GO:0018785
490.070.5802.920.120.674ufoA GO:0003824 GO:0016787
500.070.5703.160.120.674x00A GO:0016787
510.070.5763.490.140.703wlaA GO:0016787 GO:0042597 GO:0047699
520.070.5143.290.150.614nmwA GO:0005737 GO:0009102 GO:0016787 GO:0052689
530.070.5143.490.150.621m33A GO:0005737 GO:0009102 GO:0016787 GO:0052689 GO:0090499


Consensus prediction of GO terms
 
Molecular Function GO:0097599 GO:0016411 GO:0052689 GO:0098599 GO:0016790 GO:0004620 GO:0005488
GO-Score 0.55 0.53 0.50 0.50 0.50 0.50 0.43
Biological Processes GO:0000272 GO:0045491 GO:0044765 GO:1901137 GO:0042221 GO:0006664 GO:0071702 GO:0071766 GO:0022607 GO:0010876 GO:0046467 GO:0044712 GO:0046149 GO:0015994 GO:0006787 GO:0042159 GO:0098734 GO:0035601
GO-Score 0.55 0.55 0.53 0.53 0.53 0.53 0.53 0.53 0.53 0.53 0.53 0.50 0.50 0.50 0.50 0.50 0.50 0.50
Cellular Component GO:0030312 GO:1903561 GO:0031988 GO:0044444
GO-Score 0.53 0.50 0.50 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.