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I-TASSER results for job id Rv1265

[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
10.04 2 3huzF MG Rep, Mult 174,185
20.04 2 1f59A III Rep, Mult 127,128,131,132,172,176,180
30.04 2 2px0B GNP Rep, Mult 175,218
40.04 2 2bptA III Rep, Mult 159,162,163,166,167,206,209
50.04 2 4id0B ACT Rep, Mult 78,113,117
60.02 1 2iubC MG Rep, Mult 75,76
70.02 1 1i12B IMD Rep, Mult 174,177
80.02 1 1u6g0 III Rep, Mult 80,81,121,122,123
90.02 1 2nr9A PA6 Rep, Mult 69,73
100.02 1 4qvuA ZN Rep, Mult 156,199,202
110.02 1 3obvA SUC Rep, Mult 135,139,183,187,190
120.02 1 1xvbA BBU Rep, Mult 185,186,187
130.02 1 3ic3D BGC Rep, Mult 119,123
140.02 1 1m32A PLP Rep, Mult 154,155
150.02 1 3lsmA SO3 Rep, Mult 185,197
160.02 1 1o6pA III Rep, Mult 120,123,166,169,171,172
170.02 1 1y4jA CA Rep, Mult 174,176,180,196,198
180.02 1 2xecB CA Rep, Mult 88,132
190.02 1 3n12A ZN Rep, Mult 89,146
200.02 1 2a68P MG Rep, Mult 202,205

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
10.0601dl2A0.4885.050.0620.7653.2.1.113NA
20.0601fw8A0.4525.370.0380.7392.7.2.3140,189
30.0602eabA0.4635.460.0560.7523.2.1.63NA
40.0601i8qA0.4585.730.0710.7964.2.2.1128
50.0601pclA0.4574.940.0540.7084.2.2.2NA
60.0601p7cB0.4544.920.0450.6902.7.1.21NA
70.0603drwA0.4724.860.0950.7262.7.1.146207
80.0601hn0A0.4945.740.0610.8454.2.2.20117
90.0601ojnA0.4645.440.0500.7794.2.2.1NA
100.0601h54B0.4904.950.0230.7482.4.1.8NA
110.0601n2lA0.4576.080.0660.8233.1.6.8NA
120.0601ho8A0.5224.830.0750.8103.6.3.14202
130.0601f1sA0.4645.300.0680.7434.2.2.1NA
140.0603c5wA0.5004.510.0890.7303.1.3.16NA
150.0603dsxA0.4305.300.0430.6902.5.1.60NA
160.0602v1yA0.1684.650.0620.2432.7.1.153176
170.0601fa2A0.4485.790.0940.7573.2.1.2NA
180.0603evhA0.4545.790.0480.7834.2.2.3NA
190.0601dceA0.4543.800.0530.6062.5.1.6027

(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
00.070.5854.610.060.874v7oA5 GO:0000502 GO:0005634 GO:0005737 GO:0005839 GO:0006281 GO:0006974 GO:0010499 GO:0010952 GO:0016504 GO:0034515 GO:0043248 GO:0043486 GO:0061136 GO:0070577 GO:0070628 GO:1990236 GO:1990237
10.070.5224.960.100.824uvkA GO:0000755 GO:0003682 GO:0005634 GO:0005829 GO:0006473 GO:0007064 GO:0009847 GO:0031505 GO:0031618 GO:0031934 GO:0034990 GO:1990707
20.060.4245.000.080.643l0oA GO:0000166 GO:0003676 GO:0003723 GO:0004386 GO:0005524 GO:0006351 GO:0006353 GO:0006355 GO:0008186 GO:0016787
30.060.3865.780.050.673renA GO:0003824 GO:0004553 GO:0005975 GO:0016020 GO:0016021 GO:0016787
40.060.4055.010.040.612y4uA GO:0004860 GO:0005737 GO:0005783 GO:0005788 GO:0005790 GO:0005829 GO:0006417 GO:0006986 GO:0016020 GO:0019901 GO:0031205 GO:0036494 GO:0036498 GO:0043066 GO:0051087 GO:0051603 GO:0051607 GO:0051787 GO:0070062 GO:0070417 GO:1903561 GO:1903912 GO:1904030
50.060.4725.310.050.765dllA GO:0004177 GO:0006508 GO:0008237 GO:0008270 GO:0016787
60.060.3465.670.040.601o4sB GO:0003824 GO:0004069 GO:0005737 GO:0008483 GO:0009058 GO:0016740 GO:0030170 GO:0080130
70.060.3825.650.040.632pulA GO:0000166 GO:0005524 GO:0008652 GO:0009086 GO:0016301 GO:0016310 GO:0016740 GO:0019284 GO:0019509 GO:0046522
80.060.3504.850.010.533ftqA GO:0000145 GO:0000166 GO:0000775 GO:0000776 GO:0000777 GO:0000910 GO:0002036 GO:0003924 GO:0005525 GO:0005634 GO:0005694 GO:0005730 GO:0005737 GO:0005819 GO:0005826 GO:0005856 GO:0005876 GO:0005886 GO:0005930 GO:0005938 GO:0007049 GO:0007067 GO:0007224 GO:0009986 GO:0015629 GO:0015630 GO:0016020 GO:0030234 GO:0030496 GO:0031105 GO:0031175 GO:0031513 GO:0032154 GO:0032391 GO:0032880 GO:0032947 GO:0035869 GO:0042384 GO:0042802 GO:0042995 GO:0043209 GO:0045202 GO:0048471 GO:0050790 GO:0051258 GO:0051301 GO:0060170 GO:0070062
90.060.3275.900.060.573wwpA GO:0016829 GO:0046872
100.060.2926.410.020.554k3vB GO:0006810 GO:0007155 GO:0030001 GO:0046872
110.060.3136.100.050.542cuzA GO:0000049 GO:0000166 GO:0004812 GO:0004818 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006424 GO:0016874 GO:0016876 GO:0043039
120.060.2894.530.020.422x9qA GO:0016740 GO:0016755 GO:0016875
130.060.3354.700.050.511n0rA
140.060.3105.460.040.524p7kA GO:0000287 GO:0005737 GO:0005739 GO:0005829 GO:0005886 GO:0006584 GO:0007565 GO:0007612 GO:0007614 GO:0008168 GO:0008171 GO:0008210 GO:0009712 GO:0014070 GO:0016020 GO:0016021 GO:0016036 GO:0016206 GO:0016740 GO:0030424 GO:0030425 GO:0032259 GO:0032496 GO:0032502 GO:0035814 GO:0042135 GO:0042417 GO:0042420 GO:0042493 GO:0043197 GO:0044297 GO:0045211 GO:0045963 GO:0046498 GO:0046500 GO:0046872 GO:0048265 GO:0048609 GO:0048662 GO:0050668 GO:0051930 GO:0070062
150.060.2676.140.040.493ig2B GO:0000049 GO:0000166 GO:0000287 GO:0003723 GO:0004812 GO:0004826 GO:0005524 GO:0005737 GO:0006412 GO:0006432 GO:0008033 GO:0016874 GO:0046872
160.060.2895.800.040.512i3fA
170.060.2905.940.050.502f6uA GO:0000287 GO:0002094 GO:0005737 GO:0006629 GO:0006650 GO:0008654 GO:0016740 GO:0016765 GO:0046474 GO:0046872 GO:0047294
180.060.2344.260.030.322fc3A GO:0001682 GO:0003723 GO:0003735 GO:0004526 GO:0005622 GO:0005737 GO:0005840 GO:0006412 GO:0008033 GO:0019843 GO:0030529 GO:0042254 GO:0090501 GO:0090502


Consensus prediction of GO terms
 
Molecular Function GO:0016504 GO:0003682 GO:0070577 GO:0070628 GO:0003723 GO:0005524 GO:0004386 GO:0008186 GO:0051787 GO:0004860 GO:0004553 GO:0051087 GO:0019901
GO-Score 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.06 0.06 0.06 0.06 0.06
Biological Processes GO:1990236 GO:1990237 GO:0009847 GO:0031505 GO:0007064 GO:0000755 GO:0061136 GO:0043248 GO:0043486 GO:0010499 GO:0010952 GO:0006281 GO:0006473 GO:0006353 GO:0006355 GO:1904030 GO:0043066 GO:0036494 GO:0051607 GO:0005975 GO:1903912 GO:0036498 GO:0070417
GO-Score 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06
Cellular Component GO:1990707 GO:0031618 GO:0005839 GO:0034515 GO:0034990 GO:0031934 GO:0016021 GO:0031205 GO:0005790 GO:0005788 GO:0070062
GO-Score 0.07 0.07 0.07 0.07 0.07 0.07 0.06 0.06 0.06 0.06 0.06

(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.