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I-TASSER results for job id Rv1424c

[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
10.09 6 1ht2E ADP Rep, Mult 24,25,26,53,54,55,56,57,58
20.08 5 3cf0A ADP Rep, Mult 20,21,25,57,58,59,60,61,105
30.08 5 3eihA AGS Rep, Mult 34,35,36,89,90,91,94,95,96,97,197,253
40.03 2 3av7A KYN Rep, Mult 72,216
50.03 2 3wu2h CLA Rep, Mult 49,53
60.02 1 4xnjA 78M Rep, Mult 40,50
70.02 1 4rkuL CLA Rep, Mult 53,57
80.02 1 3hvrA MG Rep, Mult 182,223
90.02 1 3oruA ZN Rep, Mult 133,150,181
100.02 1 3eq1B SO4 Rep, Mult 17,19,129
110.02 1 4r7cC GLY Rep, Mult 61,62,65
120.02 1 3c5iA MG Rep, Mult 129,137
130.02 1 1ofhB PO4 Rep, Mult 23,24,30,101,102
140.02 1 3i0oA MG Rep, Mult 123,137
150.02 1 2wl3A CA Rep, Mult 75,137
160.02 1 1f8iB MG Rep, Mult 101,137
170.02 1 4dgtB MG Rep, Mult 241,247
180.02 1 1sgf8 III Rep, Mult 12,13,14,16

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
10.0603cioA0.4424.770.1010.6362.7.10.2NA
20.0601t64A0.4784.900.0260.7043.5.1.98NA
30.0601g8pA0.4413.720.0540.5736.6.1.1NA
40.0602pflA0.3846.420.0370.7042.3.1.54NA
50.0602qi9D0.4294.250.0590.5853.6.3.3357,61
60.0602vdcA0.4445.200.0790.6601.4.1.13NA
70.0602gxaE0.4564.100.0710.6093.6.4.1253
80.0601njgA0.4673.580.0820.5972.7.7.727,56
90.0602wwyA0.4364.310.0400.6093.6.4.12NA
100.0602awnB0.4314.400.0960.5933.6.3.1931,52,56
110.0601w36D0.3836.100.0380.6683.1.11.5NA
120.0602c9oA0.4943.740.0340.6403.6.4.12NA
130.0601ea0A0.4445.200.0790.6601.4.1.13NA
140.0603glfG0.4723.390.0710.5892.7.7.7NA
150.0602awnA0.4124.260.1020.5453.6.3.1931
160.0602w00B0.4614.900.0540.6763.1.21.3107
170.0603kx2B0.4555.290.0590.6803.6.4.13110
180.0603maxA0.4794.760.0570.6963.5.1.9823
190.0601esmA0.4405.210.0670.6762.7.1.3324,85

(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
00.110.7312.370.170.814tvsA GO:0001671 GO:0005521 GO:0005634 GO:0005635 GO:0005637 GO:0008092 GO:0016020 GO:0016021 GO:0032781 GO:0034504 GO:0051117 GO:0071763
10.070.5753.410.060.721ksfX GO:0000166 GO:0004176 GO:0005524 GO:0005829 GO:0006508 GO:0006979 GO:0016887 GO:0019538 GO:0043335
20.070.5864.130.040.793j3rA GO:0000166 GO:0005524 GO:0006351 GO:0006355 GO:0019538 GO:0030420
30.070.5623.500.070.713hwsA GO:0000166 GO:0004176 GO:0005524 GO:0005759 GO:0005829 GO:0006457 GO:0006508 GO:0008270 GO:0016032 GO:0016887 GO:0030163 GO:0042802 GO:0043335 GO:0046872 GO:0046983 GO:0051082 GO:0051301 GO:0051704
40.070.5723.770.080.731qvrA GO:0000166 GO:0005524 GO:0005737 GO:0009408 GO:0016485 GO:0019538 GO:0042802
50.070.4843.950.080.643eccA GO:0000166 GO:0005524 GO:0006260 GO:0042802 GO:0043565
60.070.5453.490.050.693hteE GO:0000166 GO:0004176 GO:0005524 GO:0005759 GO:0005829 GO:0006457 GO:0006508 GO:0008270 GO:0016032 GO:0016887 GO:0030163 GO:0042802 GO:0043335 GO:0046872 GO:0046983 GO:0051082 GO:0051301 GO:0051704
70.070.5513.650.080.711um8A GO:0000166 GO:0005524 GO:0006457 GO:0008270 GO:0046872 GO:0046983 GO:0051082
80.070.4833.660.070.625bq5B GO:0000166 GO:0005524
90.070.4114.820.040.611e94E GO:0000166 GO:0005524 GO:0005737 GO:0005829 GO:0006508 GO:0009376 GO:0009408 GO:0016020 GO:0016887 GO:0042802 GO:0043335 GO:0070011
100.070.5303.730.050.691g4aE GO:0000166 GO:0005524 GO:0005737 GO:0005829 GO:0006508 GO:0009376 GO:0009408 GO:0016020 GO:0016887 GO:0042802 GO:0043335 GO:0070011
110.070.5283.690.040.681ofhA GO:0000166 GO:0005524 GO:0005737 GO:0006508 GO:0009376 GO:0016887 GO:0043335 GO:0070011
120.070.5283.520.050.671im2A GO:0000166 GO:0005524 GO:0005737 GO:0006508 GO:0009376 GO:0016887 GO:0043335 GO:0070011
130.070.5113.580.050.651g3iA GO:0000166 GO:0005524 GO:0005737 GO:0006508 GO:0009376 GO:0016887 GO:0043335 GO:0070011
140.070.4933.930.040.654ww4B GO:0000166 GO:0003678 GO:0004386 GO:0005524 GO:0005634 GO:0006281 GO:0006351 GO:0006355 GO:0006974 GO:0016568 GO:0016787 GO:0032508 GO:0043141
150.070.4994.200.030.672xszC GO:0000166 GO:0000812 GO:0003678 GO:0004386 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005794 GO:0005815 GO:0005856 GO:0005913 GO:0006281 GO:0006310 GO:0006351 GO:0006355 GO:0006357 GO:0006974 GO:0007049 GO:0007067 GO:0007283 GO:0016020 GO:0016363 GO:0016568 GO:0016787 GO:0016887 GO:0031011 GO:0032508 GO:0034080 GO:0035267 GO:0040008 GO:0043231 GO:0043967 GO:0043968 GO:0051301 GO:0070062 GO:0071339 GO:0097255 GO:0098609 GO:0098641 GO:1903146 GO:1903955 GO:1904837 GO:1904874
160.070.4944.300.030.673uk6F GO:0000166 GO:0000812 GO:0000979 GO:0000980 GO:0001094 GO:0003678 GO:0004003 GO:0004386 GO:0005524 GO:0005622 GO:0005634 GO:0005654 GO:0005719 GO:0005737 GO:0006281 GO:0006310 GO:0006338 GO:0006351 GO:0006355 GO:0006457 GO:0006974 GO:0016020 GO:0016363 GO:0016568 GO:0016787 GO:0016887 GO:0030529 GO:0031011 GO:0031490 GO:0032508 GO:0034644 GO:0035066 GO:0035267 GO:0040008 GO:0042802 GO:0042803 GO:0043141 GO:0043531 GO:0043967 GO:0043968 GO:0045944 GO:0051082 GO:0051117 GO:0070062 GO:0071169 GO:0071339 GO:0071392 GO:0071733 GO:0071899 GO:0097255 GO:1904874
170.070.4963.910.050.653uk6G GO:0000166 GO:0000812 GO:0000979 GO:0000980 GO:0001094 GO:0003678 GO:0004003 GO:0004386 GO:0005524 GO:0005622 GO:0005634 GO:0005654 GO:0005719 GO:0005737 GO:0006281 GO:0006310 GO:0006338 GO:0006351 GO:0006355 GO:0006457 GO:0006974 GO:0016020 GO:0016363 GO:0016568 GO:0016787 GO:0016887 GO:0030529 GO:0031011 GO:0031490 GO:0032508 GO:0034644 GO:0035066 GO:0035267 GO:0040008 GO:0042802 GO:0042803 GO:0043141 GO:0043531 GO:0043967 GO:0043968 GO:0045944 GO:0051082 GO:0051117 GO:0070062 GO:0071169 GO:0071339 GO:0071392 GO:0071733 GO:0071899 GO:0097255 GO:1904874
180.070.4723.390.070.593glfG GO:0000166 GO:0003677 GO:0003689 GO:0003887 GO:0005524 GO:0005663 GO:0006260 GO:0006261 GO:0009360 GO:0016740 GO:0016779 GO:0016887 GO:0017111 GO:0030337 GO:0042802 GO:0043846 GO:0071897
190.070.3685.000.050.565a5bJ GO:0000166 GO:0000502 GO:0005524 GO:0005634 GO:0005737 GO:0006289 GO:0006338 GO:0008540 GO:0016787 GO:0016887 GO:0017025 GO:0019904 GO:0030163 GO:0030433 GO:0031595 GO:0032968 GO:0034515 GO:0036402 GO:0043161 GO:0043433 GO:0045899 GO:0051091 GO:0070651 GO:0070682 GO:1901800
200.070.4843.700.050.625a5bI GO:0000166 GO:0000502 GO:0005524 GO:0005634 GO:0005737 GO:0006511 GO:0008540 GO:0016787 GO:0016887 GO:0017025 GO:0030163 GO:0030433 GO:0031503 GO:0031595 GO:0031597 GO:0036402 GO:0043171 GO:0045732 GO:0045899 GO:0070651 GO:0070682 GO:1901800


Consensus prediction of GO terms
 
Molecular Function GO:0032550 GO:0032559 GO:0035639
GO-Score 0.48 0.48 0.48
Biological Processes GO:0043170 GO:0044238
GO-Score 0.37 0.32
Cellular Component GO:0005829 GO:0016021 GO:0005637 GO:0005759
GO-Score 0.13 0.11 0.11 0.07

(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.