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I-TASSER results for job id Rv3482c

[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
10.07 4 3tolC CA Rep, Mult 91,94
20.07 4 1lm1A F3S Rep, Mult 13,46,47,49,50,51,53
30.06 3 1c6nA XE Rep, Mult 73,74,77,99,233
40.04 2 3gsbA GAB Rep, Mult 27,29,30,77
50.04 2 3v8eA MG Rep, Mult 10,12,15
60.04 2 5l1gD GYB Rep, Mult 92,99
70.04 2 1ofdB F3S Rep, Mult 53,54,55,66,70,71
80.04 2 1h55A O Rep, Mult 24,25
90.02 1 3hosA MG Rep, Mult 119,196
100.02 1 3kntA NUC Rep, Mult 103,104
110.02 1 3kd3A MG Rep, Mult 16,27,174
120.02 1 1zruC GOL Rep, Mult 6,24
130.02 1 1l8tA MG Rep, Mult 20,244
140.02 1 3nkmA NKP Rep, Mult 13,17

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
10.0601n63B0.3805.960.0450.6351.2.99.2NA
20.0602ckjA0.3686.200.0610.6351.17.1.4,1.17.3.2NA
30.0601ofdA0.3376.460.0600.6121.4.7.1NA
40.0602zxqA0.3895.990.0390.6383.2.1.9728,41,72
50.0601dgjA0.3826.490.0530.7001.2.-.-NA
60.0602wyhA0.4076.210.0450.7003.2.1.2428
70.0602vn7A0.3876.270.0430.6733.2.1.329,78
80.0601llwA0.4156.320.0650.7271.4.7.1NA
90.0601gaiA0.3836.340.0390.6773.2.1.3NA
100.0601sy7A0.3786.050.0600.6541.11.1.6NA
110.0601oqzB0.3736.260.0330.6383.5.1.93NA
120.0601g8kA0.3746.340.0360.6501.20.98.1NA
130.0602vdcF0.3936.330.0480.7001.4.1.13NA
140.0601ea0A0.3956.340.0390.6811.4.1.1379
150.0601cjyA0.3745.700.0500.6043.1.1.4,3.1.1.5NA
160.0601fo4A0.3476.610.0600.6381.17.1.4NA
170.0602hoyA0.3266.430.0440.5855.4.3.8NA
180.0603b9jC0.3626.370.0480.6381.17.3.2,1.17.1.4NA
190.0601m56A0.3776.110.0340.6421.9.3.1NA

(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
00.060.3576.130.060.634ufoA GO:0003824 GO:0016787
10.060.3176.320.050.571a12A GO:0000082 GO:0000790 GO:0000794 GO:0003677 GO:0003682 GO:0005085 GO:0005087 GO:0005634 GO:0005654 GO:0005737 GO:0007049 GO:0007052 GO:0007059 GO:0007067 GO:0007088 GO:0016032 GO:0031492 GO:0031965 GO:0042393 GO:0043547 GO:0051225 GO:0051301
20.060.3226.120.050.562hruA GO:0000166 GO:0000287 GO:0004642 GO:0005524 GO:0005737 GO:0006164 GO:0006189 GO:0006541 GO:0009156 GO:0016874 GO:0046872
30.060.3206.110.060.543viuA GO:0000166 GO:0000287 GO:0004642 GO:0005524 GO:0005737 GO:0006164 GO:0006189 GO:0016874 GO:0046872
40.060.3116.090.040.531a5zA GO:0003824 GO:0004459 GO:0005737 GO:0005975 GO:0006096 GO:0016491 GO:0016616 GO:0019752 GO:0055114
50.060.2966.450.040.534zhtA GO:0000166 GO:0003824 GO:0004553 GO:0005524 GO:0005737 GO:0005829 GO:0006045 GO:0006047 GO:0006054 GO:0007155 GO:0008152 GO:0008761 GO:0009384 GO:0016301 GO:0016310 GO:0016740 GO:0016787 GO:0046835 GO:0046872
60.060.3896.430.030.693ikmD GO:0002020 GO:0003676 GO:0003677 GO:0003682 GO:0003887 GO:0005739 GO:0005760 GO:0006259 GO:0006260 GO:0006261 GO:0006264 GO:0006287 GO:0007568 GO:0008408 GO:0009416 GO:0010332 GO:0016740 GO:0016779 GO:0042645 GO:0043195 GO:0043234 GO:0055093 GO:0070062 GO:0071333 GO:0071897 GO:0090305
70.060.3226.630.020.591r9jB GO:0003824 GO:0004802 GO:0008152 GO:0016740 GO:0046872
80.060.3276.140.050.562hs3A GO:0000166 GO:0000287 GO:0004642 GO:0005524 GO:0005737 GO:0006164 GO:0006189 GO:0006541 GO:0009156 GO:0016874 GO:0046872
90.060.2766.340.040.481pmiA GO:0004476 GO:0005737 GO:0005975 GO:0008270 GO:0009298 GO:0016853 GO:0031505 GO:0046872
100.060.2846.160.060.501vr0C GO:0000287 GO:0016311 GO:0016787 GO:0019295 GO:0050532
110.060.2656.570.040.473ikwA GO:0016829 GO:0046872
120.060.3216.650.030.594lgyA GO:0000166 GO:0004642 GO:0005524 GO:0005737 GO:0006164 GO:0006189 GO:0006541 GO:0009156 GO:0016874 GO:0046872
130.060.2855.960.050.473vo2A GO:0000166 GO:0004324 GO:0016491 GO:0055114
140.060.2576.230.060.444f2nB GO:0004784 GO:0006801 GO:0016491 GO:0019430 GO:0046872 GO:0055114
150.060.2586.390.040.464q1tD GO:0000166 GO:0003723 GO:0004349 GO:0005524 GO:0005737 GO:0006561 GO:0008652 GO:0016301 GO:0016310 GO:0016740 GO:0055129
160.060.2506.160.060.431ztcA
170.060.2306.120.070.394g3aB GO:0000022 GO:0000070 GO:0000775 GO:0000776 GO:0000922 GO:0005525 GO:0005634 GO:0005737 GO:0005813 GO:0005815 GO:0005819 GO:0005827 GO:0005856 GO:0005874 GO:0005875 GO:0005876 GO:0007049 GO:0007051 GO:0007052 GO:0007067 GO:0007275 GO:0007282 GO:0007411 GO:0008017 GO:0016325 GO:0019827 GO:0030154 GO:0030426 GO:0030723 GO:0031116 GO:0032154 GO:0035099 GO:0035371 GO:0040001 GO:0042995 GO:0045169 GO:0045172 GO:0046580 GO:0046602 GO:0048477 GO:0051225 GO:0051301 GO:0051315 GO:0090307
180.060.2415.460.030.381xbrA GO:0000578 GO:0001102 GO:0003677 GO:0003700 GO:0005634 GO:0006351 GO:0006355 GO:0007275 GO:0007368 GO:0044344 GO:0045893 GO:0045944


Consensus prediction of GO terms
 
Molecular Function GO:0005524 GO:0004642 GO:0000287 GO:0042393 GO:0016787 GO:0004459 GO:0031492 GO:0005087
GO-Score 0.12 0.12 0.12 0.06 0.06 0.06 0.06 0.06
Biological Processes GO:0006189 GO:0007059 GO:0007088 GO:0051301 GO:0006541 GO:0016032 GO:0007052 GO:0055114 GO:0043547 GO:0006096 GO:0000082 GO:0051225
GO-Score 0.12 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06
Cellular Component GO:0044424
GO-Score 0.46

(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.