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I-TASSER results for job id Rv0839

[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
10.61 36 4qnuH GEK Rep, Mult 26,46,47,49,70,71,72,75,97,98,99,114,115,116,118,120,263
20.03 2 1p91A SAM Rep, Mult 47,48,49,50,51,52,53,114,115,144,145,150,263

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
10.3471wznA0.5953.380.1790.7192.1.1.-55
20.3082p35A0.6263.940.1590.8042.1.1.14447,50,67,74,93,97,116,118,120
30.2123g5tA0.7373.600.1270.9302.1.1.14513,48,52
40.1553e05D0.5533.080.1010.6562.1.1.13276
50.1483bgdA0.5793.610.1420.7222.1.1.67NA
60.1452iftA0.4743.680.1250.5932.1.1.5260
70.0773e05B0.5553.090.1000.6592.1.1.13254
80.0731f38A0.5403.090.1630.6442.1.1.-NA
90.0703hnrA0.5393.620.1510.6632.1.1.-NA
100.0672cl5A0.5483.060.1250.6482.1.1.6NA
110.0673bwmA0.5483.070.1190.6482.1.1.6NA
120.0673grzB0.5063.050.1420.5962.1.1.-NA
130.0663gdhA0.5203.120.1270.6152.1.1.-NA
140.0601kyzE0.5923.260.1040.7112.1.1.68173,175
150.0601p91A0.6433.640.1620.7962.1.1.51187
160.0603lccA0.5833.210.1320.6962.1.1.-47,55,76,92
170.0602pxxA0.5612.750.2060.6443.4.24.71NA
180.0602a14A0.5973.660.1370.7412.1.1.4913,47,49,73,98
190.0601jq3A0.5653.490.0960.6962.5.1.1647
200.0601fp2A0.5803.310.1430.7002.1.1.150NA
210.0602h11B0.5863.490.1370.7222.1.1.6710
220.0602ip2A0.5903.490.1340.7192.1.1.-NA
230.0601xcjA0.5713.370.1170.7002.1.1.253
240.0601sqfA0.5543.800.0960.6812.1.1.-NA
250.0603i58A0.5973.000.1470.7072.1.1.-NA
260.0601kywC0.5853.420.1090.7072.1.1.68NA
270.0601ri5A0.5914.080.1520.7672.1.1.5647,97
280.0602aovA0.6734.430.1120.9112.1.1.871
290.0601l1eA0.6344.470.0990.8442.1.1.79NA
300.0601xxlA0.6243.650.1530.7742.1.1.-NA
310.0602iipA0.5993.670.1520.7412.1.1.147,49,73,76,97
320.0602ex4A0.5993.190.1620.7222.1.1.-NA

(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
00.410.8681.740.190.933mggB GO:0008168 GO:0016740 GO:0032259
10.380.5583.420.160.692p8jB GO:0008152 GO:0008168 GO:0016740 GO:0032259
20.350.5752.850.160.663l8dA GO:0008152 GO:0008168 GO:0016740 GO:0032259
30.320.5793.140.200.693sm3A GO:0008152 GO:0008168 GO:0016740 GO:0032259 GO:0046872
40.310.4732.650.160.545bxyA GO:0008168 GO:0032259
50.290.5302.810.160.611dusA GO:0008168 GO:0016740 GO:0032259
60.290.6383.800.160.812p35A GO:0005737 GO:0008168 GO:0016740 GO:0030798 GO:0032259
70.290.6444.230.260.833busA GO:0008152 GO:0008168 GO:0016740 GO:0032259
80.270.6013.940.190.764necB GO:0008168 GO:0016740 GO:0032259
90.270.6133.650.150.764htfB GO:0008033 GO:0008168 GO:0016740 GO:0032259
100.270.5093.510.160.632i6gB GO:0005737 GO:0008168 GO:0008757 GO:0016740 GO:0032259 GO:0046690
110.260.6273.640.160.772gluA GO:0005737 GO:0008152 GO:0008168 GO:0008757 GO:0016740 GO:0032259
120.260.6043.310.220.722gs9A GO:0008152 GO:0008168 GO:0032259
130.250.6753.650.160.843egeA GO:0008152 GO:0008168 GO:0032259
140.250.7103.950.130.912yqzA GO:0008152 GO:0008168 GO:0032259 GO:0046872 GO:0051536 GO:0051539
150.250.6063.260.200.721vlmA GO:0005737 GO:0008152 GO:0008168 GO:0008757 GO:0032259
160.240.6534.320.150.854krhA GO:0008152 GO:0008168 GO:0032259 GO:0046872 GO:0051536 GO:0051539
170.230.5982.800.180.693dh0B GO:0005737 GO:0008757 GO:0032259 GO:0046872 GO:0051536 GO:0051539
180.230.6704.180.200.854pneB GO:0008152 GO:0008168 GO:0016740 GO:0032259
190.230.7473.770.130.945egpA GO:0008168 GO:0016740 GO:0032259
200.230.5462.780.140.633jwhA GO:0001510 GO:0008171 GO:0008173
210.220.5533.210.140.663jwgA GO:0001510 GO:0008168 GO:0008171 GO:0008173 GO:0016740 GO:0032259
220.210.6443.850.150.833ccfB GO:0008152 GO:0008168 GO:0016740 GO:0030798 GO:0032259
230.210.6514.170.150.844ineA GO:0000773 GO:0005737 GO:0006656 GO:0008152 GO:0008168 GO:0016740 GO:0032259 GO:0080101
240.210.5833.210.130.703lccA GO:0005886 GO:0006952 GO:0008168 GO:0008757 GO:0016740 GO:0018708 GO:0019762 GO:0032259
250.210.6214.130.140.804iv8A GO:0000234 GO:0008152 GO:0008168 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
260.200.5733.250.210.693e23A GO:0008152 GO:0008168 GO:0032259 GO:0046872 GO:0051536 GO:0051539
270.200.5413.120.180.643mb5A GO:0008033 GO:0008168 GO:0016429 GO:0016740 GO:0030488 GO:0031515 GO:0032259
280.200.6414.300.140.833f4kA GO:0005737 GO:0008168 GO:0008757 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
290.200.5403.090.160.641f38A GO:0006479 GO:0008168 GO:0008276 GO:0009236 GO:0016740 GO:0032259 GO:0046140
300.200.6313.760.160.781vl5A GO:0008152 GO:0008168 GO:0016740 GO:0032259
310.200.6063.110.200.711ve3B GO:0046872 GO:0051536 GO:0051539
320.190.5063.050.140.603grzB GO:0005737 GO:0006479 GO:0008168 GO:0008276 GO:0016740 GO:0032259
330.190.6163.700.170.764obwC GO:0005739 GO:0005743 GO:0005759 GO:0006744 GO:0008168 GO:0009060 GO:0016020 GO:0016740 GO:0031314 GO:0032259 GO:0043334 GO:0102005
340.190.5883.060.150.704qdkA GO:0005737 GO:0008168 GO:0008757 GO:0015979 GO:0015995 GO:0016740 GO:0032259 GO:0036068 GO:0046406
350.190.4613.350.130.563ckkA GO:0000049 GO:0003723 GO:0005634 GO:0005654 GO:0005730 GO:0005737 GO:0006400 GO:0008033 GO:0008168 GO:0008176 GO:0016740 GO:0030488 GO:0032259 GO:0036265 GO:0043527
360.180.6344.590.130.853kkzA GO:0046872 GO:0051536 GO:0051539
370.180.5573.630.150.683dtnA GO:0046872
380.180.4923.520.150.603cggA GO:0008168 GO:0016740 GO:0032259
390.180.5223.690.130.672kw5A GO:0005737 GO:0008757 GO:0032259
400.180.5993.580.150.742i62B GO:0005737 GO:0005829 GO:0008112 GO:0008168 GO:0010243 GO:0016740 GO:0031100 GO:0032259 GO:0042493
410.180.6263.760.190.795je1A GO:0008168 GO:0016740 GO:0032259
420.180.6364.510.150.843e7pA GO:0046872 GO:0051536 GO:0051539
430.180.5903.460.190.713d2lC GO:0008168 GO:0016740 GO:0032259
440.170.4793.100.110.563dxxA GO:0006400 GO:0008033 GO:0008168 GO:0008176 GO:0016740 GO:0030488 GO:0032259 GO:0036265 GO:0043527
450.170.6244.290.140.812o57A
460.170.6363.530.140.783ggdA
470.170.5463.010.200.632b3tA GO:0003676 GO:0006415 GO:0006479 GO:0008168 GO:0008276 GO:0008757 GO:0010468 GO:0016740 GO:0018364 GO:0032259 GO:0036009
480.160.4983.040.120.591jsxA GO:0005737 GO:0005829 GO:0006364 GO:0008168 GO:0008649 GO:0016740 GO:0032259 GO:0070043 GO:0070475 GO:0070476
490.160.4982.790.110.572fcaA GO:0006400 GO:0008033 GO:0008168 GO:0008176 GO:0016740 GO:0032259 GO:0036265 GO:0043527
500.150.5203.120.130.613gdhA GO:0000387 GO:0001510 GO:0005615 GO:0005634 GO:0005654 GO:0005730 GO:0005737 GO:0005829 GO:0006351 GO:0006355 GO:0008168 GO:0008173 GO:0009452 GO:0015030 GO:0016740 GO:0022613 GO:0030532 GO:0032259 GO:0036261 GO:0044255 GO:0071164 GO:0071167
510.150.5372.820.130.634qpnA GO:0005622 GO:0005737 GO:0008168 GO:0016740 GO:0032259
520.150.5873.910.180.741bhjA GO:0001887 GO:0005542 GO:0005634 GO:0005737 GO:0005829 GO:0006544 GO:0008168 GO:0008757 GO:0016594 GO:0016740 GO:0017174 GO:0032259 GO:0046498 GO:0046500 GO:0046655 GO:0051262 GO:0051289 GO:0098603 GO:1901052
530.140.5383.130.170.645c1iB GO:0008033 GO:0008168 GO:0016429 GO:0016740 GO:0030488 GO:0031515 GO:0032259
540.130.6083.980.180.774p7cA GO:0002098 GO:0006400 GO:0008033 GO:0016300 GO:0016740 GO:0016765 GO:0030488
550.120.5073.110.200.603g07A GO:0000122 GO:0001510 GO:0008168 GO:0008173 GO:0008757 GO:0016073 GO:0016740 GO:0032259 GO:0035562 GO:0040031 GO:0044822 GO:1900087
560.110.5833.630.170.714kdcA GO:0005829 GO:0006744 GO:0008168 GO:0008425 GO:0008689 GO:0008757 GO:0016740 GO:0032259 GO:0043431 GO:0061542 GO:0102004
570.100.5983.030.150.712r3sA
580.090.5293.290.110.642hnkB GO:0008168 GO:0008171 GO:0016740 GO:0032259
590.090.6733.900.160.863bkxA GO:0008168 GO:0016740 GO:0032259
600.090.6533.700.160.811p91A GO:0005737 GO:0006364 GO:0008168 GO:0008270 GO:0008989 GO:0016740 GO:0032259 GO:0046872 GO:0052911 GO:0070475
610.080.5833.820.170.743bkwA GO:0008152 GO:0008168 GO:0032259
620.080.5993.170.160.725cvdA GO:0005634 GO:0005654 GO:0005737 GO:0006480 GO:0007051 GO:0007059 GO:0008168 GO:0008276 GO:0016740 GO:0018011 GO:0018012 GO:0018016 GO:0032259 GO:0035572 GO:0035573 GO:0071885
630.070.6443.990.100.824f86A GO:0008168 GO:0008169 GO:0008757 GO:0016740 GO:0032259 GO:0042214
640.070.5903.930.110.754gekG GO:0002098 GO:0008168 GO:0016300 GO:0016740 GO:0016743 GO:0030488 GO:0032259 GO:1904047
650.070.5252.690.160.613evzA GO:0008168 GO:0032259
660.070.4952.880.170.583i9fB GO:0008152 GO:0008168 GO:0032259 GO:0046872
670.070.5223.590.150.643cc8A
680.070.5072.790.130.592gpyB GO:0008168 GO:0008171 GO:0016740 GO:0032259 GO:0046872
690.070.6144.060.150.784qnuA GO:0002098 GO:0006400 GO:0008033 GO:0016300 GO:0016740 GO:0016765 GO:0030488
700.070.5423.730.120.685bp9A GO:0008168 GO:0016740 GO:0032259
710.070.5473.440.100.684ymgB GO:0008171 GO:0032259 GO:0046872 GO:0051536 GO:0051539
720.070.4992.990.110.571yzhB GO:0006400 GO:0008033 GO:0008168 GO:0008176 GO:0016740 GO:0032259 GO:0036265


Consensus prediction of GO terms
 
Molecular Function GO:0008168 GO:0046872
GO-Score 0.89 0.32
Biological Processes GO:0032259
GO-Score 0.89
Cellular Component
GO-Score

(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.