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I-TASSER results for job id Rv3832c

[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 3 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
10.55 100 3ou7A SAM Rep, Mult 3,10,14,42,43,44,63,64,65,68,85,86,87,88,103,104,105,108
20.03 7 4er6A AW2 Rep, Mult 28,40,42,43,44,48,63,64,65,85,86,87,101,104,109,133,134,182
30.00 1 1ri1A GTG Rep, Mult 21,22,25,50,51,75,180
40.00 1 3ou7D 2HE Rep, Mult 3,6,13,14,108,152
50.00 1 3dtnA CA Rep, Mult 66,84
60.00 1 3ujdA PC Rep, Mult 6,104,137,146,150,152
70.00 1 3i9fA ZN Rep, Mult 71,74

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
10.4143hnrA0.7652.820.1660.9002.1.1.-107
20.2412iftA0.6212.960.1440.7642.1.1.5253,57
30.2133lccA0.7722.730.1350.9272.1.1.-42
40.1423e05D0.6962.570.1020.8222.1.1.132NA
50.1202pxxA0.7792.520.1800.9003.4.24.7146
60.1192a14A0.8212.570.1230.9792.1.1.4942,44
70.1073grzB0.6992.520.1240.8112.1.1.-48
80.1003e05B0.6932.450.1040.8112.1.1.132NA
90.0951xxlA0.7612.020.2060.8592.1.1.-107
100.0941f38A0.6842.510.1240.8112.1.1.-NA
110.0923bwmA0.6993.140.1330.8592.1.1.6NA
120.0852cl5A0.6853.160.1310.8692.1.1.6NA
130.0823gdhA0.6892.780.0800.8222.1.1.-NA
140.0781pjzA0.6593.180.1100.8382.1.1.6737,92
150.0671nt2A0.6753.030.1130.8172.1.1.-NA
160.0602aovA0.7722.940.1150.9482.1.1.8105
170.0601wznA0.8342.460.1350.9632.1.1.-NA
180.0601kpgA0.7842.510.1400.9322.1.1.79NA
190.0601ri5A0.7592.740.1320.9112.1.1.56NA
200.0601ri1A0.7582.740.1320.9112.1.1.5642
210.0601kpiA0.7972.710.1090.9582.1.1.7968
220.0603c6kD0.7273.270.1130.9162.5.1.2283,109
230.0602o06A0.7403.350.1170.9372.5.1.1642,44,85,118
240.0601im8A0.7713.010.1340.9372.1.1.-NA
250.0603i58A0.7752.690.1450.9372.1.1.-107
260.0601tw2B0.7772.820.1370.9482.1.1.-NA
270.0601kyzE0.7732.840.1060.9422.1.1.6847
280.0601mjfA0.7263.160.1530.9162.5.1.1642,63
290.0603eppB0.7502.680.1610.9062.1.1.56NA
300.0603bwbA0.7343.180.1810.9212.5.1.165,41,44,104
310.0603c6mD0.7353.180.1260.9112.5.1.2228,183
320.0602h11B0.7662.720.0790.9272.1.1.6747
330.0603bgdA0.7592.750.0960.9272.1.1.6747
340.0601kywC0.7692.900.1170.9422.1.1.68107

(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
00.430.8142.200.200.921vlmA GO:0005737 GO:0008152 GO:0008168 GO:0008757 GO:0032259
10.370.7652.820.170.903hnrA GO:0008152 GO:0008168 GO:0008757 GO:0016740 GO:0032259
20.340.8342.460.140.961wznA
30.330.7962.410.220.932gs9A GO:0008152 GO:0008168 GO:0032259
40.330.7902.480.210.923busA GO:0008152 GO:0008168 GO:0016740 GO:0032259
50.330.7802.940.130.953h2bB GO:0008168 GO:0016740 GO:0032259
60.320.7932.920.120.954necB GO:0008168 GO:0016740 GO:0032259
70.320.8182.340.150.964oqdC GO:0008168 GO:0008757 GO:0016740 GO:0017000 GO:0032259 GO:0042803
80.310.7712.480.160.914qtuB GO:0000056 GO:0000447 GO:0005634 GO:0005730 GO:0005737 GO:0006364 GO:0008152 GO:0008168 GO:0008757 GO:0016435 GO:0016740 GO:0032259 GO:0070476
90.310.7982.660.170.964qvgC GO:0008168 GO:0008171 GO:0032259
100.300.8182.440.160.964krhA GO:0008152 GO:0008168 GO:0032259 GO:0046872 GO:0051536 GO:0051539
110.300.6712.820.170.813fycA GO:0000154 GO:0000179 GO:0003723 GO:0005737 GO:0006364 GO:0008168 GO:0008649 GO:0016433 GO:0016740 GO:0031167 GO:0032259
120.300.8702.070.180.963ou7A GO:0008168 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
130.300.7322.670.110.865cm2Z GO:0000049 GO:0002098 GO:0005634 GO:0005737 GO:0005829 GO:0008152 GO:0008168 GO:0008198 GO:0016300 GO:0016706 GO:0030488 GO:0032259 GO:0055114
140.290.7922.800.140.952o57A
150.290.7562.960.190.913g2pA GO:0046872 GO:0051536 GO:0051539
160.290.7932.400.180.933e23A GO:0008152 GO:0008168 GO:0032259 GO:0046872 GO:0051536 GO:0051539
170.280.7632.000.210.862gluA GO:0005737 GO:0008152 GO:0008168 GO:0008757 GO:0016740 GO:0032259
180.280.8322.080.160.942avnA GO:0008152 GO:0008168 GO:0016740 GO:0032259
190.270.8022.300.150.923dh0B GO:0005737 GO:0008757 GO:0032259 GO:0046872 GO:0051536 GO:0051539
200.270.8432.660.120.994krgA GO:0008152 GO:0008168 GO:0032259
210.270.7922.710.180.951x19A GO:0008168 GO:0008171 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
220.260.7992.900.140.961im8A GO:0002098 GO:0005737 GO:0008757 GO:0016300 GO:0016740 GO:0016743 GO:0030488 GO:0032259 GO:1904047
230.260.8222.270.210.944pneB GO:0008152 GO:0008168 GO:0016740 GO:0032259
240.260.8132.520.130.965je1A GO:0008168 GO:0016740 GO:0032259
250.250.7752.930.160.923dtnA GO:0046872
260.250.8182.270.130.951xtpA GO:0005737 GO:0006480 GO:0008168
270.250.6882.740.150.832p35A GO:0005737 GO:0008168 GO:0016740 GO:0030798 GO:0032259
280.240.8092.610.150.961ve3B GO:0046872 GO:0051536 GO:0051539
290.240.7642.010.210.851vl5A GO:0008152 GO:0008168 GO:0016740 GO:0032259
300.240.7692.880.160.933dlcA GO:0008152 GO:0008168 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
310.240.7113.350.190.904rsrA GO:0008168 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
320.240.7493.280.180.922yqzA GO:0008152 GO:0008168 GO:0032259 GO:0046872 GO:0051536 GO:0051539
330.230.6803.150.140.843cggA GO:0008168 GO:0016740 GO:0032259
340.230.7212.770.180.853ccfB GO:0008152 GO:0008168 GO:0016740 GO:0030798 GO:0032259
350.220.7212.470.150.843egeA GO:0008152 GO:0008168 GO:0032259
360.220.6553.210.130.842kw5A GO:0005737 GO:0008757 GO:0032259
370.220.7722.730.140.933lccA GO:0005886 GO:0006952 GO:0008168 GO:0008757 GO:0016740 GO:0018708 GO:0019762 GO:0032259
380.210.6743.010.130.842xvaA GO:0005737 GO:0005829 GO:0008168 GO:0008757 GO:0009636 GO:0016740 GO:0032259 GO:0046677 GO:0046690
390.210.6143.230.170.773douA GO:0001510 GO:0005737 GO:0006364 GO:0008168 GO:0008650 GO:0016740 GO:0031167 GO:0032259
400.210.7952.430.140.934qdkA GO:0005737 GO:0008168 GO:0008757 GO:0015979 GO:0015995 GO:0016740 GO:0032259 GO:0036068 GO:0046406
410.200.6842.510.120.811f38A GO:0006479 GO:0008168 GO:0008276 GO:0009236 GO:0016740 GO:0032259 GO:0046140
420.200.7782.950.170.943kkzA GO:0046872 GO:0051536 GO:0051539
430.190.7782.960.170.943e7pA GO:0046872 GO:0051536 GO:0051539
440.190.6553.030.140.822i6gB GO:0005737 GO:0008168 GO:0008757 GO:0016740 GO:0032259 GO:0046690
450.180.7663.020.140.933f4kA GO:0005737 GO:0008168 GO:0008757 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
460.170.8352.310.170.963uj7A GO:0008168 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
470.170.8212.270.120.955cvdA 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
480.150.6013.140.120.771yubA GO:0000154 GO:0000179 GO:0003723 GO:0008168 GO:0008649 GO:0016740 GO:0031167 GO:0032259 GO:0046677 GO:0052910
490.130.6573.200.170.834hg2B GO:0008152 GO:0008168 GO:0016740 GO:0032259
500.120.8092.520.140.951y8cA GO:0008168 GO:0016740 GO:0032259
510.110.6822.540.120.803i9fB GO:0008152 GO:0008168 GO:0032259 GO:0046872
520.100.8032.490.140.951kpgA GO:0005737 GO:0005886 GO:0006629 GO:0008168 GO:0008610 GO:0008825 GO:0016740 GO:0032259 GO:0046500 GO:0071768
530.090.5703.630.140.754dzrA GO:0003676 GO:0006479 GO:0008168 GO:0008276 GO:0016740 GO:0018364 GO:0032259 GO:0036009 GO:0046872
540.070.7202.830.140.861p91A GO:0005737 GO:0006364 GO:0008168 GO:0008270 GO:0008989 GO:0016740 GO:0032259 GO:0046872 GO:0052911 GO:0070475
550.070.7612.800.130.944rv9A GO:0008168 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
560.070.6983.350.120.883hp7A GO:0003723 GO:0008168 GO:0032259
570.070.5703.130.160.694l7vA GO:0004719 GO:0005737 GO:0006464 GO:0006479 GO:0008168 GO:0016740 GO:0030091 GO:0032259


Consensus prediction of GO terms
 
Molecular Function GO:0008757
GO-Score 0.64
Biological Processes GO:0032259
GO-Score 0.84
Cellular Component GO:0005737
GO-Score 0.43

(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.