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I-TASSER results for job id Rv1278

[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 2 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 4 3av0B MG Rep, Mult 38,137
20.04 2 2ot8A III Rep, Mult 175,179,224,232,262,265,266,269,315
30.04 2 1bcpC ATP Rep, Mult 224,225
40.04 2 2bptA III Rep, Mult 155,199,201,202,203,204,206,207,208,239,240
50.04 2 3icqT NUC Rep, Mult 192,235,236,277,278,416,420,688,737
60.02 1 3lwwC III Rep, Mult 77,78,131,134,137,172,179,221,228,232,235,273,276,314,321,325,365
70.02 1 3i8hE MG Rep, Mult 730,733
80.02 1 2wh5E COA Rep, Mult 721,730
90.02 1 2q5dB III Rep, Mult 211,214,252
100.02 1 2vglA IHP Rep, Mult 176,177,204,208,225,229,230,233
110.02 1 3iasK CA Rep, Mult 706,709
120.02 1 3qkuA MG Rep, Mult 38,137,296
130.02 1 4yu4B OXY Rep, Mult 131,135
140.02 1 4ac8A CA Rep, Mult 356,392
150.02 1 1lm1A F3S Rep, Mult 228,229,230,232,233,234,272,273
160.02 1 5aeiA III Rep, Mult 134,137,169,172,175,176,179,181,225,228,232,235,236,269,272,273,276,278,315,318,321,322,325,362,365
170.02 1 3a6pA III Rep, Mult 208,233,236,243
180.02 1 3kwoA ZN Rep, Mult 262,266
190.02 1 5dknA B7I Rep, Mult 735,739

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
10.0601ug9A0.2878.700.0310.4563.2.1.70NA
20.0602vdcF0.3868.600.0500.6071.4.1.13NA
30.0601z1wA0.3197.470.0520.4533.4.11.-NA
40.0601fo4A0.3078.860.0330.4901.17.1.4NA
50.0603gtgB0.2908.670.0380.4572.7.7.6NA
60.0602pdaA0.3119.120.0550.5091.2.7.1NA
70.0602hpiA0.2578.500.0380.3992.7.7.7NA
80.0603b9jI0.0945.840.0630.1211.17.1.4,1.17.3.2168
90.0602e1qA0.3128.390.0430.4751.17.3.2,1.17.1.4NA
100.0603ecqB0.3388.850.0450.5373.2.1.97178
110.0602ckjA0.3098.910.0400.4931.17.1.4,1.17.3.2NA
120.0601l5jA0.2798.420.0430.4354.2.1.3143
130.0603dsxA0.2545.850.0780.3262.5.1.60NA
140.0602uv8G0.2939.050.0350.4822.3.1.86NA
150.0601b0pA0.3089.360.0270.5201.2.7.1NA
160.0603b9jC0.1868.630.0310.2951.17.3.2,1.17.1.4NA
170.0603h09B0.2799.030.0350.4553.4.21.72NA
180.0603ffzA0.2999.150.0180.4883.4.24.69NA
190.0602q1fA0.2888.430.0520.4474.2.2.21NA

(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
00.240.7275.190.060.893gb8A GO:0000055 GO:0000056 GO:0000122 GO:0000776 GO:0003723 GO:0005215 GO:0005487 GO:0005634 GO:0005635 GO:0005642 GO:0005654 GO:0005730 GO:0005737 GO:0005829 GO:0006611 GO:0006810 GO:0006886 GO:0007062 GO:0008536 GO:0008565 GO:0010824 GO:0015030 GO:0015031 GO:0016020 GO:0016032 GO:0019904 GO:0030529 GO:0031965 GO:0034504 GO:0042176 GO:0042493 GO:0043231 GO:0043488 GO:0046825 GO:0051028 GO:0075733
10.220.7185.730.070.902xwuB GO:0005634 GO:0005737 GO:0006606 GO:0006810 GO:0006886 GO:0008139 GO:0008536 GO:0008565 GO:0015031 GO:0031965
20.210.8932.720.100.954ol0B GO:0004872 GO:0005634 GO:0005737 GO:0006810 GO:0008139 GO:0008565 GO:0015031 GO:0031965 GO:0035048 GO:0042802 GO:0043231
30.190.7675.210.070.943gjxA GO:0000055 GO:0000056 GO:0000122 GO:0000776 GO:0003723 GO:0005487 GO:0005634 GO:0005642 GO:0005654 GO:0005730 GO:0005737 GO:0006611 GO:0006810 GO:0006886 GO:0008536 GO:0008565 GO:0010824 GO:0015030 GO:0015031 GO:0016020 GO:0019904 GO:0030529 GO:0031965 GO:0034504 GO:0042176 GO:0042493 GO:0043231 GO:0046825 GO:0051028
40.180.8433.350.100.924c0qA GO:0004872 GO:0005634 GO:0005737 GO:0006810 GO:0008139 GO:0008565 GO:0015031 GO:0031965 GO:0035048 GO:0042802 GO:0043231
50.150.7723.820.080.873zjyE GO:0005634 GO:0005737 GO:0006606 GO:0006810 GO:0006886 GO:0008139 GO:0008536 GO:0008565 GO:0015031 GO:0031965
60.150.7804.580.060.923icqT GO:0000049 GO:0003723 GO:0005525 GO:0005634 GO:0005635 GO:0005643 GO:0005737 GO:0005829 GO:0006409 GO:0006605 GO:0006810 GO:0008033 GO:0008536 GO:0015932 GO:0016363 GO:0071528
70.140.7085.630.070.893wyfC GO:0000055 GO:0000776 GO:0005634 GO:0005737 GO:0005816 GO:0006406 GO:0006611 GO:0006810 GO:0006886 GO:0008536 GO:0008565 GO:0015031 GO:0034501 GO:0048471
80.130.7564.820.060.902x1gF GO:0005737 GO:0006606 GO:0006886 GO:0007270 GO:0008139 GO:0008536 GO:0008565 GO:0031965 GO:0042331 GO:0050804
90.130.7425.570.080.935difC GO:0000055 GO:0000776 GO:0005634 GO:0005737 GO:0005816 GO:0006406 GO:0006611 GO:0006810 GO:0006886 GO:0008536 GO:0008565 GO:0015031 GO:0034501 GO:0048471
100.120.7403.280.090.804c0qB GO:0004872 GO:0005634 GO:0005737 GO:0006810 GO:0008139 GO:0008565 GO:0015031 GO:0031965 GO:0035048 GO:0042802 GO:0043231
110.120.7194.630.060.853zkvA GO:0005737 GO:0006606 GO:0006886 GO:0007270 GO:0008139 GO:0008536 GO:0008565 GO:0031965 GO:0042331 GO:0050804
120.110.7095.580.060.884bsmA GO:0000055 GO:0000056 GO:0000122 GO:0000776 GO:0003723 GO:0005215 GO:0005487 GO:0005634 GO:0005635 GO:0005642 GO:0005654 GO:0005730 GO:0005737 GO:0005829 GO:0006611 GO:0006810 GO:0006886 GO:0007062 GO:0008536 GO:0008565 GO:0010824 GO:0015030 GO:0015031 GO:0016020 GO:0016032 GO:0019904 GO:0030529 GO:0031965 GO:0034504 GO:0042176 GO:0042493 GO:0043231 GO:0043488 GO:0046825 GO:0051028 GO:0075733
130.070.6227.090.070.873a6pA GO:0000049 GO:0003723 GO:0003729 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0006611 GO:0006810 GO:0006886 GO:0008536 GO:0008565 GO:0015031 GO:0031047 GO:0035281 GO:0042565 GO:0044822 GO:0070883 GO:0090631 GO:1900370
140.060.2708.910.030.442iw3B GO:0000166 GO:0001933 GO:0003723 GO:0003746 GO:0005524 GO:0005737 GO:0005840 GO:0006412 GO:0006414 GO:0006415 GO:0006469 GO:0010494 GO:0016887 GO:0019843 GO:0022626 GO:0042788
150.060.2208.190.040.342hivA GO:0000166 GO:0003677 GO:0003909 GO:0003910 GO:0005524 GO:0005737 GO:0006260 GO:0006273 GO:0006281 GO:0006310 GO:0006974 GO:0007049 GO:0016874 GO:0046872 GO:0051103 GO:0051301 GO:0071897
160.060.1859.170.030.303o8lA GO:0000166 GO:0003824 GO:0003872 GO:0005524 GO:0005737 GO:0006002 GO:0006096 GO:0008022 GO:0008152 GO:0016301 GO:0016310 GO:0016740 GO:0046872 GO:0061615
170.060.1297.210.040.184rk9A GO:0005215 GO:0006810
180.060.1246.380.060.172htmC GO:0003824 GO:0005737 GO:0009228 GO:0009229 GO:0016740 GO:0016783


Consensus prediction of GO terms
 
Molecular Function GO:0008565 GO:0008536 GO:0008139 GO:0019904 GO:0003723 GO:0005487 GO:0004872 GO:0042802
GO-Score 0.69 0.52 0.49 0.38 0.38 0.38 0.35 0.35
Biological Processes GO:1902583 GO:0043487 GO:0000819 GO:0046794 GO:0019058 GO:0051028 GO:0000122 GO:0000056 GO:0042493 GO:0046825 GO:0010824 GO:0000055 GO:0042176 GO:0035048
GO-Score 0.48 0.48 0.48 0.48 0.48 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.35
Cellular Component GO:0031965 GO:0044444 GO:0030529 GO:0015030 GO:0005642 GO:0000776 GO:0005730
GO-Score 0.69 0.48 0.38 0.38 0.38 0.38 0.38

(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.