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I-TASSER results for job id Rv1039c

[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
10.08 3 3jcuH CLA Rep, Mult 110,114,117
20.06 2 1y66C DIO Rep, Mult 247,248,251
30.06 2 3cmvA MG Rep, Mult 100,138,139,148
40.06 2 4jyeA 1N7 Rep, Mult 23,30
50.03 1 2by4A NA Rep, Mult 94,96,98
60.03 1 1kprC III Rep, Mult 32,37
70.03 1 3cz3B NUC Rep, Mult 241,242
80.03 1 2dqsA PTY Rep, Mult 37,41,48
90.03 1 3kl6A CA Rep, Mult 9,11
100.03 1 5c65A 37X Rep, Mult 100,203
110.03 1 5d56A 78M Rep, Mult 260,261,264
120.03 1 4jcb9 BCL Rep, Mult 191,195
130.03 1 2g38B MN Rep, Mult 149,152,153

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
10.0601dgjA0.3047.050.0570.5061.2.-.-NA
20.0603b9jI0.1534.820.0390.2051.17.1.4,1.17.3.2NA
30.0602jfdA0.1997.040.0520.3302.3.1.85NA
40.0601aorB0.2976.440.0580.4781.2.7.5222
50.0601bxrA0.3106.910.0440.5246.3.5.5219
60.0602ckjA0.2796.630.0530.4481.17.1.4,1.17.3.2NA
70.0602cseW0.3436.870.0550.5703.6.4.13NA
80.0601qhaA0.2937.120.0250.4962.7.1.1NA
90.0602fpqA0.2946.660.0440.4813.4.24.69NA
100.0602vz8B0.3516.760.0500.5752.3.1.85NA
110.0602debA0.3036.770.0420.5042.3.1.21NA
120.0601eulA0.2886.540.0250.4553.6.3.8NA
130.0602np0A0.3187.090.0320.5423.4.24.6937
140.0602vz8A0.2637.560.0550.4682.3.1.85NA
150.0602nztA0.3016.970.0310.5042.7.1.1NA
160.0602ebsB0.3156.720.0620.5193.2.1.1507,99
170.0601vlpB0.2976.620.0420.4782.4.2.11NA
180.0601fo4A0.3166.590.0480.5141.17.1.4NA
190.0603g61A0.3017.010.0370.5113.6.3.44129

(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
00.070.4565.850.240.675gaoE GO:0000387 GO:0000398 GO:0000481 GO:0005634 GO:0005681 GO:0006397 GO:0008380 GO:0030529 GO:0045292 GO:0046540
10.060.4096.240.050.643s4wB GO:0000793 GO:0005634 GO:0005730 GO:0005737 GO:0006281 GO:0006974 GO:0007049 GO:0007129 GO:0007275 GO:0007276 GO:0010332 GO:0034599 GO:0045589 GO:0048854 GO:0050727 GO:0051090 GO:0070182 GO:0097150 GO:2000348
20.060.3337.230.040.573cmvG GO:0000150 GO:0000166 GO:0000400 GO:0000730 GO:0003677 GO:0003684 GO:0003690 GO:0003697 GO:0004520 GO:0005524 GO:0005737 GO:0005829 GO:0006259 GO:0006281 GO:0006310 GO:0006312 GO:0006974 GO:0008094 GO:0009432 GO:0010212 GO:0042148 GO:0048870
30.060.2847.050.040.473cmvA GO:0000150 GO:0000166 GO:0000400 GO:0000730 GO:0003677 GO:0003684 GO:0003690 GO:0003697 GO:0004520 GO:0005524 GO:0005737 GO:0005829 GO:0006259 GO:0006281 GO:0006310 GO:0006312 GO:0006974 GO:0008094 GO:0009432 GO:0010212 GO:0042148 GO:0048870
40.060.2256.910.020.383hr8A GO:0000150 GO:0000166 GO:0000400 GO:0000730 GO:0003677 GO:0003684 GO:0003690 GO:0003697 GO:0004520 GO:0005524 GO:0005737 GO:0005829 GO:0006259 GO:0006281 GO:0006310 GO:0006312 GO:0006974 GO:0008094 GO:0009432 GO:0010212 GO:0042148
50.060.2266.160.030.351xu4A GO:0000166 GO:0003677 GO:0003684 GO:0005524 GO:0006259 GO:0006281 GO:0006310 GO:0006974 GO:0008094
60.060.2266.200.030.353ew9A GO:0000166 GO:0003677 GO:0003684 GO:0005524 GO:0006259 GO:0006281 GO:0006310 GO:0006974 GO:0008094
70.060.2316.640.060.381szpA GO:0000150 GO:0000166 GO:0000228 GO:0000400 GO:0000709 GO:0000722 GO:0000724 GO:0000730 GO:0000794 GO:0003677 GO:0003690 GO:0003697 GO:0004520 GO:0005524 GO:0005634 GO:0005654 GO:0005694 GO:0006259 GO:0006281 GO:0006310 GO:0006974 GO:0007131 GO:0008094 GO:0010212 GO:0030491 GO:0042148 GO:0042802 GO:0045002 GO:0070192 GO:1990426
80.060.1966.690.060.311mo4A GO:0000150 GO:0000166 GO:0000287 GO:0000400 GO:0000725 GO:0000730 GO:0003677 GO:0003690 GO:0003697 GO:0004518 GO:0004519 GO:0004520 GO:0005524 GO:0005737 GO:0005829 GO:0006259 GO:0006281 GO:0006310 GO:0006312 GO:0006314 GO:0006974 GO:0008094 GO:0009432 GO:0009650 GO:0010212 GO:0016539 GO:0016787 GO:0016887 GO:0030145 GO:0042148 GO:0046677 GO:0090305
90.060.2165.820.060.324v7oAJ GO:0000502 GO:0004175 GO:0004298 GO:0005634 GO:0005737 GO:0005839 GO:0006508 GO:0006511 GO:0008233 GO:0010499 GO:0016787 GO:0019773 GO:0034515 GO:0042175 GO:0043161 GO:0051603
100.060.2136.850.090.362zucB GO:0000150 GO:0000166 GO:0000400 GO:0000730 GO:0003677 GO:0003684 GO:0003690 GO:0003697 GO:0004520 GO:0005524 GO:0006259 GO:0006281 GO:0006310 GO:0006312 GO:0006974 GO:0008094 GO:0010212 GO:0042148
110.060.2106.770.040.351xp8A GO:0000150 GO:0000166 GO:0000400 GO:0000730 GO:0003677 GO:0003684 GO:0003690 GO:0003697 GO:0004520 GO:0005524 GO:0005737 GO:0005829 GO:0006259 GO:0006281 GO:0006302 GO:0006310 GO:0006312 GO:0006974 GO:0008094 GO:0009432 GO:0010212 GO:0042148
120.060.2266.640.030.374mlcA GO:0006865
130.060.2096.710.020.352g88A GO:0000166 GO:0003677 GO:0003697 GO:0005524 GO:0006259 GO:0006281 GO:0006310 GO:0006974 GO:0008094 GO:0009432
140.060.1966.560.040.324nb7A GO:0005507 GO:0016491 GO:0046872 GO:0055114
150.060.1906.880.020.311xmvA GO:0000150 GO:0000166 GO:0000400 GO:0000730 GO:0003677 GO:0003684 GO:0003690 GO:0003697 GO:0004520 GO:0005524 GO:0005737 GO:0005829 GO:0006259 GO:0006281 GO:0006310 GO:0006312 GO:0006974 GO:0008094 GO:0009432 GO:0010212 GO:0042148 GO:0048870
160.060.1996.820.020.334hyyA GO:0000150 GO:0000166 GO:0000400 GO:0000730 GO:0000781 GO:0000794 GO:0001541 GO:0001556 GO:0003677 GO:0003690 GO:0003697 GO:0004520 GO:0005524 GO:0005634 GO:0005654 GO:0005694 GO:0006259 GO:0006281 GO:0006312 GO:0007049 GO:0007126 GO:0007129 GO:0007131 GO:0007141 GO:0007276 GO:0007283 GO:0007286 GO:0007292 GO:0008094 GO:0010212 GO:0042148 GO:0051321 GO:0070192
170.060.1956.970.040.333rdpB GO:0000166 GO:0004797 GO:0005524 GO:0006230 GO:0016301 GO:0016310 GO:0016740 GO:0071897
180.060.1816.330.070.283lqfA GO:0000166


Consensus prediction of GO terms
 
Molecular Function GO:0004519 GO:0000217 GO:0042623 GO:0032559 GO:0035639 GO:0004536 GO:0032550
GO-Score 0.35 0.35 0.35 0.35 0.35 0.35 0.35
Biological Processes GO:0009314 GO:0045003 GO:0031668 GO:0065004
GO-Score 0.35 0.35 0.35 0.35
Cellular Component GO:0044444
GO-Score 0.35

(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.