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I-TASSER results for job id Rv0329c

[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
10.65 125 3ou6A SAM Rep, Mult 11,15,22,57,58,59,63,78,79,80,83,105,106,107,108,123,124,125
20.04 9 4er6A AW2 Rep, Mult 41,55,57,58,59,63,78,79,80,105,106,107,121,124,128,150,151,202
30.02 5 1d2hA SAH Rep, Mult 78,79,80,83,105,106,107,125,128
40.01 2 5dsxA 5EW Rep, Mult 34,37,38,41,55,58,63,121,122,124,126,150,151,152,200,201,202
50.01 3 3uj9A PC Rep, Mult 9,10,18,30,124,154,163,167,169
60.01 3 2o06A MG Rep, Mult 45,118,146,147
70.01 3 5drtA 5EG Rep, Mult 23,27,34,55,57,58,59,60,62,63,121,122,124,150,151,152,202
80.00 1 4fsdA CA Rep, Mult 157,158
90.00 1 3dtnA CA Rep, Mult 81,104
100.00 1 1p91A SAM Rep, Mult 26,31,57,58,59,60,61,62,63,123,124,153,154,158,159,200

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
10.2422iftA0.6003.130.0710.7402.1.1.5272
20.2143bgdA0.7133.330.1440.8992.1.1.6722,103
30.2132h11B0.7163.380.1490.8992.1.1.6719
40.2073lccA0.7263.150.1240.8892.1.1.-57,101
50.1603e05D0.6612.710.1210.7842.1.1.132102
60.1332ex4A0.7623.250.1140.9382.1.1.-NA
70.1111wznA0.7712.920.1610.8992.1.1.-NA
80.1083hnrA0.6803.020.1870.8172.1.1.-NA
90.0961f38A0.6542.750.1460.7842.1.1.-NA
100.0963bwmA0.6663.270.1330.8272.1.1.6NA
110.0932cl5A0.6673.240.1390.8272.1.1.6NA
120.0911xcjA0.7043.430.1580.8892.1.1.258,127
130.0893e05B0.6602.790.1250.7882.1.1.132109
140.0843grzB0.6482.640.1240.7642.1.1.-NA
150.0601tw2B0.7593.250.1560.9382.1.1.-NA
160.0601kpiA0.7573.260.1440.9282.1.1.79NA
170.0603c6mD0.6933.640.1340.8892.5.1.2225,41
180.0602a14A0.7453.370.1420.9422.1.1.4957,59
190.0603c6kD0.6883.650.1400.8852.5.1.22NA
200.0602vdwG0.7502.990.0940.9182.7.7.5084,127
210.0601fp1D0.7053.150.1350.8612.1.1.-NA
220.0602iipA0.7573.350.1290.9472.1.1.157,59,106
230.0601jq3A0.6873.300.1040.8702.5.1.1657,79
240.0601p91A0.6893.130.1560.8412.1.1.51NA
250.0601mjfA0.6683.710.1460.8802.5.1.1657,78
260.0601uirB0.6843.500.1190.8752.5.1.16136
270.0602i62C0.7463.240.1270.9332.1.1.118,57,59,106
280.0601l1eA0.7253.110.1380.8802.1.1.79NA
290.0602pxxA0.7282.940.1450.8563.4.24.71NA
300.0602opbB0.7493.430.1310.9572.1.1.2818,57,59
310.0601kpgA0.7413.220.1520.9042.1.1.79134
320.0601kywC0.7173.190.0990.8852.1.1.68NA
330.0603i58A0.7583.110.1310.9232.1.1.-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
00.410.7542.720.240.881vlmA GO:0005737 GO:0008152 GO:0008168 GO:0008757 GO:0032259
10.390.7953.170.170.964krhA GO:0008152 GO:0008168 GO:0032259 GO:0046872 GO:0051536 GO:0051539
20.340.7433.110.180.892yqzA GO:0008152 GO:0008168 GO:0032259 GO:0046872 GO:0051536 GO:0051539
30.340.8112.690.170.933dlcA GO:0008152 GO:0008168 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
40.330.7712.920.160.901wznA
50.320.6733.220.170.824rsrA GO:0008168 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
60.320.6803.020.190.823hnrA GO:0008152 GO:0008168 GO:0008757 GO:0016740 GO:0032259
70.310.7302.410.170.844qtuB 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
80.310.7242.710.290.862gs9A GO:0008152 GO:0008168 GO:0032259
90.300.7573.220.190.934necB GO:0008168 GO:0016740 GO:0032259
100.300.7992.050.170.893dh0B GO:0005737 GO:0008757 GO:0032259 GO:0046872 GO:0051536 GO:0051539
110.300.7983.180.180.964ineA GO:0000773 GO:0005737 GO:0006656 GO:0008152 GO:0008168 GO:0016740 GO:0032259 GO:0080101
120.300.7202.500.200.833egeA GO:0008152 GO:0008168 GO:0032259
130.290.6613.030.180.783cggA GO:0008168 GO:0016740 GO:0032259
140.280.7552.880.200.893d2lC GO:0008168 GO:0016740 GO:0032259
150.280.6512.940.140.765cm2Z 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
160.280.8252.580.190.944pneB GO:0008152 GO:0008168 GO:0016740 GO:0032259
170.280.7163.480.180.893h2bB GO:0008168 GO:0016740 GO:0032259
180.280.7993.250.110.973vc1D GO:0008152 GO:0008168 GO:0008169 GO:0008757 GO:0016740 GO:0032259 GO:0042214
190.260.7253.110.140.881l1eA GO:0005737 GO:0006629 GO:0008168 GO:0008610 GO:0008825 GO:0009405 GO:0016740 GO:0032259 GO:0042783 GO:0046500 GO:0052167 GO:0071768
200.260.6212.850.190.753fycA GO:0000154 GO:0000179 GO:0003723 GO:0005737 GO:0006364 GO:0008168 GO:0008649 GO:0016433 GO:0016740 GO:0031167 GO:0032259
210.260.7523.090.150.902avnA GO:0008152 GO:0008168 GO:0016740 GO:0032259
220.260.7672.990.130.911ve3B GO:0046872 GO:0051536 GO:0051539
230.250.7092.650.160.812gluA GO:0005737 GO:0008152 GO:0008168 GO:0008757 GO:0016740 GO:0032259
240.240.7493.040.210.883busA GO:0008152 GO:0008168 GO:0016740 GO:0032259
250.240.7702.800.180.925je1A GO:0008168 GO:0016740 GO:0032259
260.240.7643.190.150.931tpyA GO:0005618 GO:0005737 GO:0005886 GO:0006629 GO:0008168 GO:0008610 GO:0008825 GO:0016740 GO:0032259 GO:0071768
270.230.7842.880.150.933uj7A GO:0008168 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
280.230.6603.080.210.793ccfB GO:0008152 GO:0008168 GO:0016740 GO:0030798 GO:0032259
290.230.6542.750.150.781f38A GO:0006479 GO:0008168 GO:0008276 GO:0009236 GO:0016740 GO:0032259 GO:0046140
300.220.6962.780.160.811vl5A GO:0008152 GO:0008168 GO:0016740 GO:0032259
310.210.7543.320.130.944gekG GO:0002098 GO:0008168 GO:0016300 GO:0016740 GO:0016743 GO:0030488 GO:0032259 GO:1904047
320.210.7283.240.140.893f4kA GO:0005737 GO:0008168 GO:0008757 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
330.200.7742.820.190.924qdkA GO:0005737 GO:0008168 GO:0008757 GO:0015979 GO:0015995 GO:0016740 GO:0032259 GO:0036068 GO:0046406
340.190.7323.240.150.903kkzA GO:0046872 GO:0051536 GO:0051539
350.180.7273.150.130.893e7pA GO:0046872 GO:0051536 GO:0051539
360.170.6433.030.120.774hg2B GO:0008152 GO:0008168 GO:0016740 GO:0032259
370.170.7033.270.170.861p91A GO:0005737 GO:0006364 GO:0008168 GO:0008270 GO:0008989 GO:0016740 GO:0032259 GO:0046872 GO:0052911 GO:0070475
380.170.7983.190.110.964f86A GO:0008168 GO:0008169 GO:0008757 GO:0016740 GO:0032259 GO:0042214
390.170.7853.190.150.954mwzB GO:0008168 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
400.160.5773.140.140.731yubA GO:0000154 GO:0000179 GO:0003723 GO:0008168 GO:0008649 GO:0016740 GO:0031167 GO:0032259 GO:0046677 GO:0052910
410.160.5324.040.170.724dzrA GO:0003676 GO:0006479 GO:0008168 GO:0008276 GO:0016740 GO:0018364 GO:0032259 GO:0036009 GO:0046872
420.140.7643.340.150.941kpgA GO:0005737 GO:0005886 GO:0006629 GO:0008168 GO:0008610 GO:0008825 GO:0016740 GO:0032259 GO:0046500 GO:0071768
430.110.6532.400.130.763i9fB GO:0008152 GO:0008168 GO:0032259 GO:0046872
440.070.6463.520.110.823hp7A GO:0003723 GO:0008168 GO:0032259
450.070.7343.160.150.904rv9A GO:0008168 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
460.070.6723.620.140.854y2hB GO:0000122 GO:0003682 GO:0005634 GO:0005654 GO:0005829 GO:0006281 GO:0006284 GO:0006351 GO:0006355 GO:0006479 GO:0006974 GO:0008168 GO:0008469 GO:0016032 GO:0016049 GO:0016274 GO:0016568 GO:0016571 GO:0016740 GO:0019919 GO:0032259 GO:0034970 GO:0035241 GO:0035242 GO:0042054 GO:0042393 GO:0043985 GO:0044020 GO:0045892 GO:0070611 GO:0070612 GO:0090398


Consensus prediction of GO terms
 
Molecular Function GO:0051539 GO:0046872 GO:0008757
GO-Score 0.73 0.73 0.41
Biological Processes GO:0032259
GO-Score 0.84
Cellular Component GO:0005737
GO-Score 0.41

(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.