[Home] [Server] [About] [Statistics] [Annotation]

I-TASSER results for job id Rv1815

[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
10.46 71 1p01A 0EG Rep, Mult 62,167,168,169,170,171,172,191,192,193,194,196
20.08 14 1zmjA HDB Rep, Mult 44,45,62,166,167,168,169,170,172,193,196,197,203
30.05 7 4ynnG III Rep, Mult 42,43,44,62,168,169,170,171,172,192,193,194
40.02 3 2ztxA DTZ Rep, Mult 45,62,172
50.01 2 3po1C III Rep, Mult 148,178,179,184,185
60.00 1 3m7uA III Rep, Mult 62,96,192,193,194
70.00 1 3p70B NA Rep, Mult 47,48,58,59,173,174,175,190
80.00 1 1sb1H NA Rep, Mult 34,46,140,141,171,174

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
10.4562sfaA0.7222.050.2230.7923.4.21.-62,101,170,172
20.4271qy6A0.6453.310.1190.7963.4.21.1962,101,170
30.4001ds2E0.7131.950.2210.7783.4.21.8145,137,141,144,172
40.3872as9A0.6103.570.0880.7653.4.21.-62,101,170,172
50.2662j92A0.5933.610.1350.7383.4.22.2862
60.2601sgcA0.6981.820.2460.7563.4.21.8059
70.2491b0fA0.6313.760.1600.8103.4.21.3762
80.2391l1nA0.5773.110.1040.6973.4.22.2962,170
90.2361cqqA0.5763.020.1170.6973.4.22.28,3.4.22.2962,170
100.1521ssxA0.7202.130.2290.7923.4.21.12NA
110.0982vidB0.6163.440.1340.7653.4.21.-62,101,172
120.0752rg3A0.6333.740.1670.8103.4.21.37173
130.0712hrvA0.4642.800.1040.5613.4.22.28170
140.0671fujC0.6313.790.1820.8103.4.21.76172,174
150.0672wv4A0.5883.730.1400.7423.4.22.28NA
160.0672b0fA0.5653.390.1020.7103.4.22.2862,170
170.0661dylA0.4713.360.1130.5973.4.21.90170
180.0661svpA0.4853.460.0950.6203.4.21.90170,175
190.0603dfjA0.6423.820.1550.8333.4.21.-62,101,170,172,173
200.0601hylA0.6423.680.1480.8193.4.21.4959,164
210.0601fizA0.6553.920.1540.8603.4.21.10163,191
220.0601bbrH0.3864.090.1210.5163.4.21.5NA
230.0601csoE0.7131.950.2210.7783.4.21.8159,165
240.0602gv6A0.6503.920.1700.8463.4.21.109NA
250.0603govB0.6453.890.1230.8513.4.21.-62,101,170,172,173
260.0601riwB0.3834.080.1150.5113.4.21.562
270.0601ucyE0.2883.120.1200.3483.4.21.5171
280.0602ea3A0.7012.070.2350.7693.4.21.-62,101,170,172
290.0602za5A0.6373.890.1620.8333.4.21.5962,101,170,172,173
300.0601ekbB0.6493.810.1610.8423.4.21.962
310.0601hpgA0.7271.830.2360.7873.4.21.82NA
320.0601boqA0.7282.030.2220.7963.4.21.1262,101,170,172
330.0601fiwA0.6543.850.1490.8553.4.21.10NA
340.0601bdaA0.6443.920.1280.8463.4.21.68NA
350.0601yc0A0.6473.760.1340.8373.4.21.-62,170,172,173
360.0601a0lA0.6423.850.1670.8373.4.21.5945,62,170,172,196
370.0601bruP0.6383.900.1740.8373.4.21.7159

(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
00.350.7222.050.220.792sfaA GO:0004252 GO:0005576 GO:0006508 GO:0008233 GO:0008236 GO:0016787
10.330.7142.010.230.782pfeA GO:0004252 GO:0005576 GO:0006508 GO:0008236
20.320.7282.030.220.801boqA GO:0004252 GO:0005576 GO:0006508 GO:0008233 GO:0008236 GO:0016787
30.310.7012.070.230.772ea3A GO:0004252 GO:0005576 GO:0006508 GO:0008236
40.310.7151.920.220.781csoE GO:0004252 GO:0005576 GO:0006508 GO:0008233 GO:0008236 GO:0016787
50.300.7271.830.240.791hpgA GO:0004252 GO:0006508 GO:0008233 GO:0008236 GO:0016787
60.280.7082.170.200.782ouaA GO:0004252 GO:0005576 GO:0006508 GO:0008233 GO:0008236
70.240.6981.820.250.761sgcA GO:0004252 GO:0005576 GO:0006508 GO:0008233 GO:0008236 GO:0016787
80.230.6172.930.140.733qo6B GO:0004252 GO:0005634 GO:0006508 GO:0008233 GO:0008236 GO:0009507 GO:0009534 GO:0009535 GO:0009536 GO:0009579 GO:0009735 GO:0010206 GO:0016020 GO:0016787 GO:0030163 GO:0031977
90.200.6133.260.170.752z9iA GO:0004252 GO:0005576 GO:0006508 GO:0006950 GO:0008233 GO:0008236 GO:0009405 GO:0016020 GO:0016021 GO:0030163
100.190.6353.660.140.804afqA GO:0002003 GO:0004175 GO:0004252 GO:0005576 GO:0005737 GO:0006508 GO:0006518 GO:0006955 GO:0008233 GO:0008236 GO:0016485 GO:0016787 GO:0022617 GO:0030901 GO:0031012 GO:0042277 GO:0043231 GO:0045766 GO:0050720 GO:0050727 GO:0071333
110.170.6553.920.150.861fizA GO:0001669 GO:0004040 GO:0004252 GO:0005537 GO:0006508 GO:0007190 GO:0007338 GO:0007340 GO:0007341 GO:0008144 GO:0008233 GO:0008236 GO:0016787 GO:0042806 GO:0043159 GO:0043234
120.150.6563.910.150.861fiwA GO:0001669 GO:0004040 GO:0004252 GO:0005537 GO:0006508 GO:0007190 GO:0007338 GO:0007340 GO:0007341 GO:0008144 GO:0008233 GO:0008236 GO:0016787 GO:0042806
130.110.6343.690.170.801fq3A GO:0001772 GO:0004252 GO:0005634 GO:0005737 GO:0005739 GO:0005829 GO:0006508 GO:0006915 GO:0008233 GO:0008236 GO:0016020 GO:0016485 GO:0016787 GO:0019835 GO:0042267 GO:0043231 GO:1900740
140.090.6123.400.150.751l1jA GO:0004252 GO:0006508 GO:0008233
150.080.6263.810.150.813s9aA GO:0004252 GO:0005576 GO:0006508 GO:0008233 GO:0008236 GO:0016787
160.080.6303.450.150.804m7gA GO:0004252 GO:0006508 GO:0008233 GO:0008236 GO:0016787
170.070.6263.870.150.812aipA GO:0004252 GO:0005576 GO:0006508 GO:0008233 GO:0008236 GO:0016787
180.070.6303.730.150.803rp2A GO:0004252 GO:0005737 GO:0006508 GO:0006955 GO:0008233 GO:0008236 GO:0016485 GO:0016787 GO:0043231
190.070.6273.830.130.801tonA GO:0004252 GO:0006508 GO:0008233 GO:0008236 GO:0016787 GO:0046872
200.070.6273.840.130.811eq9A GO:0004252 GO:0005576 GO:0005615 GO:0006508 GO:0008233 GO:0008236 GO:0016787
210.070.6173.840.150.814gsoA GO:0004252 GO:0005576 GO:0006508 GO:0008233 GO:0008236 GO:0016787
220.070.6233.840.130.811npmA GO:0004252 GO:0005576 GO:0005615 GO:0005737 GO:0006508 GO:0007613 GO:0008219 GO:0008233 GO:0008236 GO:0009611 GO:0016787 GO:0031642 GO:0043616 GO:0048681 GO:0048812 GO:0050807 GO:0050808
230.070.6373.940.140.831eltA GO:0004252 GO:0005576 GO:0006508 GO:0008233 GO:0008236 GO:0016787 GO:0046872
240.070.6163.890.170.813qumP GO:0002778 GO:0004175 GO:0004252 GO:0005576 GO:0005615 GO:0005634 GO:0006508 GO:0008233 GO:0008236 GO:0016525 GO:0016787 GO:0016811 GO:0043234 GO:0044267 GO:0070062
250.070.6043.890.120.801gvzA GO:0004252 GO:0005576 GO:0006508 GO:0008233 GO:0008236 GO:0016787
260.070.6163.930.140.811bqyA GO:0004252 GO:0005576 GO:0006508 GO:0008233 GO:0008236 GO:0016787
270.070.4623.150.070.581z8rA GO:0000166 GO:0001172 GO:0003723 GO:0003724 GO:0003968 GO:0004197 GO:0004386 GO:0005198 GO:0005216 GO:0005524 GO:0006260 GO:0006351 GO:0006508 GO:0006810 GO:0006811 GO:0008233 GO:0008234 GO:0016020 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0017111 GO:0018144 GO:0019012 GO:0019028 GO:0019062 GO:0030430 GO:0030683 GO:0033644 GO:0034220 GO:0039503 GO:0039520 GO:0039522 GO:0039540 GO:0039544 GO:0039611 GO:0039618 GO:0039657 GO:0039690 GO:0039694 GO:0039707 GO:0044161 GO:0044162 GO:0044385 GO:0044694 GO:0046718 GO:0046872 GO:0051259 GO:0075509
280.060.3646.040.040.651k3iA GO:0005576 GO:0016491 GO:0045480 GO:0046872 GO:0055114


Consensus prediction of GO terms
 
Molecular Function GO:0004252
GO-Score 0.86
Biological Processes GO:0006508
GO-Score 0.86
Cellular Component GO:0005576
GO-Score 0.86

(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.