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I-TASSER results for job id Rv2415c

[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
10.11 7 2wc9A MN Rep, Mult 74,75,129,181
20.06 4 1zbhA MG Rep, Mult 74,76,177
30.06 4 3e77A PLP Rep, Mult 240,241
40.05 3 3u3yA CA Rep, Mult 74,177
50.03 2 2x1lA ADN Rep, Mult 255,257,258,261,291,292
60.03 2 1hkbA CA Rep, Mult 277,280,282,284
70.02 1 2x1lA MET Rep, Mult 73,98,107,110,111,114
80.02 1 3o72C OXY Rep, Mult 175,265
90.02 1 2x1lB MET Rep, Mult 73,111,114,118,138,143
100.02 1 2oppA MG Rep, Mult 160,162,240
110.02 1 1qhaA MG Rep, Mult 162,167,171
120.02 1 3hdjB IMD Rep, Mult 263,265,266
130.02 1 2xn1A TRS Rep, Mult 70,72,74,126,128,153
140.02 1 1gljY MG Rep, Mult 74,289
150.02 1 2o8bB ADP Rep, Mult 105,129,132,133,134,135,136,137,138
160.02 1 3o80A ANP Rep, Mult 258,261,262,265
170.02 1 1czaN ADP Rep, Mult 176,180,184

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
10.0602ct8B0.3845.720.0440.5966.1.1.10NA
20.0603l4uA0.3976.780.0600.7173.2.1.20,3.2.1.3NA
30.0602iirA0.3825.760.0470.6062.7.2.1267
40.0602g3mF0.3906.400.0340.6803.2.1.20NA
50.0601fohC0.3406.680.0460.6031.14.13.7NA
60.0602vtfA0.3796.330.0560.6573.2.1.96168,187
70.0601hkgA0.3945.460.0310.5862.7.1.1194
80.0602iirJ0.3815.690.0420.6032.7.2.1240
90.0601ig8A0.4035.320.0530.5962.7.1.1265
100.0603hm8A0.3905.930.0650.6162.7.1.1NA
110.0601v4tA0.4036.030.0440.6432.7.1.2,2.7.1.1NA
120.0602ct8A0.3915.830.0450.6066.1.1.10NA
130.0601pn0C0.3815.800.0810.6091.14.13.7NA
140.0602iz1B0.3786.120.0720.6331.1.1.44NA
150.0603f9mA0.3975.660.0680.6132.7.1.2NA
160.0601g5aA0.3776.020.0450.5932.4.1.4182
170.0603cf4A0.3826.760.0570.6901.2.99.2NA
180.0603hz3A0.3765.820.0530.5932.4.1.5NA
190.0603czkA0.3805.850.0470.5993.2.1.48NA

(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
00.170.8162.900.180.963bzcA GO:0003676 GO:0006139
10.110.6974.260.080.913psfA GO:0000122 GO:0000414 GO:0000433 GO:0000991 GO:0001073 GO:0001178 GO:0003676 GO:0003677 GO:0005634 GO:0006139 GO:0006325 GO:0006334 GO:0006338 GO:0006351 GO:0006355 GO:0006357 GO:0016973 GO:0031440 GO:0031491 GO:0031564 GO:0032784 GO:0032968 GO:0034728 GO:0035327 GO:0042393 GO:0043618 GO:0045944 GO:0060303 GO:0070827 GO:0071931
20.110.7144.180.090.943psiA GO:0000122 GO:0000414 GO:0000433 GO:0000991 GO:0001073 GO:0001178 GO:0003676 GO:0003677 GO:0005634 GO:0006139 GO:0006325 GO:0006334 GO:0006338 GO:0006351 GO:0006355 GO:0006357 GO:0016973 GO:0031440 GO:0031491 GO:0031564 GO:0032784 GO:0032968 GO:0034728 GO:0035327 GO:0042393 GO:0043618 GO:0045944 GO:0060303 GO:0070827 GO:0071931
30.060.3395.420.070.522dt8A GO:0008289
40.060.3425.890.060.553cvrA GO:0004842 GO:0005576 GO:0009405 GO:0016567 GO:0016874 GO:0030430
50.060.3186.100.040.533obwA GO:0004518 GO:0004519 GO:0005737 GO:0016787 GO:0046872 GO:0070481 GO:0070966 GO:0071025 GO:0090305
60.060.3036.000.050.481nu5A GO:0003824 GO:0008152 GO:0009063 GO:0016853 GO:0018849 GO:0018850 GO:0019439 GO:0030145 GO:0046300 GO:0046872
70.060.2775.890.040.443ckdC GO:0004842 GO:0005576 GO:0009405 GO:0016567 GO:0016874 GO:0030430
80.060.2756.020.050.453ckdB GO:0004842 GO:0005576 GO:0009405 GO:0016567 GO:0016874 GO:0030430
90.060.2855.890.040.463fwyA GO:0000166 GO:0005524 GO:0015979 GO:0015995 GO:0016491 GO:0016636 GO:0016730 GO:0019685 GO:0030494 GO:0036070 GO:0046148 GO:0046872 GO:0051536 GO:0051539 GO:0055114
100.060.2796.150.020.462ynmB GO:0000166 GO:0005524 GO:0015979 GO:0015995 GO:0016491 GO:0016636 GO:0016730 GO:0019685 GO:0036068 GO:0046148 GO:0046872 GO:0051536 GO:0051539 GO:0055114
110.060.2676.880.040.484iliA GO:0000244 GO:0005634 GO:0005682 GO:0005737 GO:0006397 GO:0008380
120.060.3005.880.040.474aimA GO:0000175 GO:0000287 GO:0003676 GO:0003723 GO:0004654 GO:0005737 GO:0006396 GO:0006402 GO:0016740 GO:0016779 GO:0046872 GO:0090503
130.060.2396.560.030.423sahB GO:0000166 GO:0000175 GO:0000176 GO:0000178 GO:0000184 GO:0000460 GO:0000956 GO:0003676 GO:0003723 GO:0003824 GO:0004518 GO:0004527 GO:0004532 GO:0005622 GO:0005634 GO:0005654 GO:0005730 GO:0005737 GO:0006139 GO:0006364 GO:0006396 GO:0008408 GO:0009048 GO:0016020 GO:0016787 GO:0035327 GO:0044237 GO:0044822 GO:0071028 GO:0071034 GO:0071035 GO:0071044 GO:0071048 GO:0090305 GO:0090503
140.060.2516.210.060.402ba0B GO:0000178 GO:0003676 GO:0003723 GO:0005737 GO:0006401 GO:0008143
150.060.2396.070.040.392wrhH GO:0016020 GO:0016021 GO:0016032 GO:0019012 GO:0019031 GO:0019062 GO:0019064 GO:0019065 GO:0020002 GO:0033644 GO:0039654 GO:0039663 GO:0046718 GO:0046789 GO:0055036 GO:0075509 GO:0075512
160.060.2356.950.040.431q8kA GO:0002230 GO:0003676 GO:0003723 GO:0003743 GO:0005634 GO:0005737 GO:0005829 GO:0005840 GO:0005844 GO:0005850 GO:0005851 GO:0006412 GO:0006413 GO:0006417 GO:0007568 GO:0010494 GO:0016020 GO:0032057 GO:0033290 GO:0034198 GO:0034605 GO:0034644 GO:0034976 GO:0036499 GO:0043022 GO:0043558 GO:0043614 GO:0044207 GO:0044822 GO:0046777 GO:0055085 GO:0070062 GO:0097451 GO:0098779 GO:0098792 GO:1901216 GO:1990737 GO:2000676
170.060.2175.850.040.352hpsA GO:0005509 GO:0046872
180.060.2624.790.050.373fncB GO:0008080


Consensus prediction of GO terms
 
Molecular Function GO:0003682 GO:0003700 GO:0032403 GO:0000990 GO:0003676
GO-Score 0.42 0.42 0.42 0.42 0.34
Biological Processes GO:0045014 GO:0032786 GO:0065008 GO:0031497 GO:0065004 GO:0000437 GO:0050684 GO:0031124 GO:0010452 GO:0000430 GO:0043620 GO:0045944 GO:0043954 GO:0001174 GO:0034243 GO:0034728 GO:0031060 GO:0000083 GO:0060260 GO:0006406 GO:0031555
GO-Score 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42 0.42
Cellular Component GO:0000785 GO:0043231
GO-Score 0.42 0.42

(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.