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I-TASSER results for job id Rv3642c

[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 50 4xk82 CLA Rep, Mult 6,9,10,13,14
20.08 43 3qmkA SGN Rep, Mult 19,22,23,26
30.07 38 1lghE BCL Rep, Mult 9,12,13,16
40.07 36 4rdaB SGN Rep, Mult 22,23,26
50.05 26 3la9A IOD Rep, Mult 5,6,9
60.05 23 4hytB CLR Rep, Mult 24,27,28
70.04 22 1n1qA FEO Rep, Mult 20,24
80.03 18 3eabB III Rep, Mult 15,16,19
90.03 16 4r6zA GLY Rep, Mult 26,29,30
100.03 17 4rkuB CLA Rep, Mult 4,7,8,11,15
110.03 17 1aijL BPH Rep, Mult 13,16,17,20,21
120.00 1 3rw0A PX4 Rep, Mult 7,42,45
130.00 2 3fgoA CZA Rep, Mult 14,17,18,40,43,44,50

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
10.0601uvvC0.5313.260.0490.8912.7.2.834,36
20.0602f48B0.6042.640.0340.8752.7.1.90NA
30.0603gzhA0.6112.530.0790.8754.3.2.2NA
40.0601eulA0.5544.190.0940.9223.6.3.8NA
50.0601zxxA0.6032.490.0360.8592.7.1.1122
60.0601q3qA0.6012.850.0820.8753.6.4.913
70.0602rhgB0.5983.180.0630.9694.2.1.20NA
80.0601k62B0.5982.780.0630.8754.3.2.1NA
90.0602uw1B0.5853.190.0480.8591.14.99.6NA
100.0601u8vA0.5902.650.0780.8285.3.3.3NA
110.0603daiA0.5912.670.0670.9383.6.1.3NA
120.0601i0aA0.5832.720.0160.8754.3.2.1NA
130.0601k7wD0.5902.800.0470.8594.3.2.1NA
140.0601r5zA0.6272.610.0850.9223.6.3.1447
150.0602zzgA0.6202.780.0510.9066.1.1.735
160.0601kzhB0.6032.770.0330.8912.7.1.90NA
170.0602j2fA0.5913.050.0690.8591.14.19.2,1.14.99.6NA
180.0601w27A0.5972.780.0820.9224.3.1.24NA
190.0603lkmA0.5883.300.0480.9382.7.11.727,39

(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
00.470.8921.570.150.953zc7B GO:0000166 GO:0005524 GO:1900723
10.110.6562.620.111.004av3B GO:0000287 GO:0004427 GO:0005509 GO:0005886 GO:0005887 GO:0006810 GO:0006811 GO:0006814 GO:0009678 GO:0015081 GO:0015992 GO:0016020 GO:0016021 GO:0016787 GO:0030955 GO:0035725 GO:0042803 GO:0046872
20.100.5473.430.030.914a01A GO:0004427 GO:0005773 GO:0005774 GO:0006810 GO:0006811 GO:0009678 GO:0015992 GO:0016020 GO:0016021 GO:0016787 GO:0046872 GO:0055085
30.090.6382.820.091.004av6A GO:0000287 GO:0004427 GO:0005509 GO:0005886 GO:0005887 GO:0006810 GO:0006811 GO:0006814 GO:0009678 GO:0015081 GO:0015992 GO:0016020 GO:0016021 GO:0016787 GO:0030955 GO:0035725 GO:0042803 GO:0046872
40.070.6582.730.030.973odnA GO:0005576 GO:0005578 GO:0005886 GO:0007224 GO:0007367 GO:0007411 GO:0007528 GO:0008101 GO:0008587 GO:0008589 GO:0009897 GO:0016020 GO:0016021 GO:0016055 GO:0017147 GO:0030177 GO:0030178 GO:0031225 GO:0031594 GO:0043395 GO:0045202 GO:0045570 GO:0045880 GO:0048190 GO:0048749 GO:0050908 GO:0098595
50.070.5882.970.110.974ywtA GO:0001523 GO:0005507 GO:0005576 GO:0005578 GO:0005615 GO:0005768 GO:0005796 GO:0005886 GO:0005887 GO:0006024 GO:0006027 GO:0007411 GO:0014037 GO:0016020 GO:0017134 GO:0030200 GO:0030203 GO:0031225 GO:0032288 GO:0040037 GO:0043202 GO:0043236 GO:0043395 GO:0045121 GO:0070062 GO:2001016
60.070.6122.600.100.944ad7A GO:0001523 GO:0005507 GO:0005576 GO:0005578 GO:0005615 GO:0005768 GO:0005796 GO:0005886 GO:0005887 GO:0006024 GO:0006027 GO:0007411 GO:0014037 GO:0016020 GO:0017134 GO:0030200 GO:0030203 GO:0031225 GO:0032288 GO:0040037 GO:0043202 GO:0043236 GO:0043395 GO:0045121 GO:0070062 GO:2001016
70.070.6112.770.100.954ywtB GO:0001523 GO:0005507 GO:0005576 GO:0005578 GO:0005615 GO:0005768 GO:0005796 GO:0005886 GO:0005887 GO:0006024 GO:0006027 GO:0007411 GO:0014037 GO:0016020 GO:0017134 GO:0030200 GO:0030203 GO:0031225 GO:0032288 GO:0040037 GO:0043202 GO:0043236 GO:0043395 GO:0045121 GO:0070062 GO:2001016
80.070.5972.920.100.954ad7C GO:0001523 GO:0005507 GO:0005576 GO:0005578 GO:0005615 GO:0005768 GO:0005796 GO:0005886 GO:0005887 GO:0006024 GO:0006027 GO:0007411 GO:0014037 GO:0016020 GO:0017134 GO:0030200 GO:0030203 GO:0031225 GO:0032288 GO:0040037 GO:0043202 GO:0043236 GO:0043395 GO:0045121 GO:0070062 GO:2001016
90.070.4443.190.000.665fn5B GO:0000045 GO:0000122 GO:0000139 GO:0000186 GO:0000776 GO:0001568 GO:0001708 GO:0001756 GO:0001764 GO:0001921 GO:0001933 GO:0001934 GO:0001947 GO:0002244 GO:0002286 GO:0002573 GO:0003407 GO:0004175 GO:0004190 GO:0005262 GO:0005622 GO:0005634 GO:0005640 GO:0005739 GO:0005743 GO:0005765 GO:0005783 GO:0005789 GO:0005790 GO:0005791 GO:0005794 GO:0005813 GO:0005886 GO:0005887 GO:0006469 GO:0006486 GO:0006508 GO:0006509 GO:0006839 GO:0006874 GO:0006914 GO:0006915 GO:0006974 GO:0006979 GO:0007155 GO:0007175 GO:0007176 GO:0007219 GO:0007220 GO:0007420 GO:0007507 GO:0007611 GO:0007613 GO:0008013 GO:0008233 GO:0009791 GO:0009986 GO:0015031 GO:0015813 GO:0015871 GO:0016020 GO:0016021 GO:0016080 GO:0016235 GO:0016337 GO:0016485 GO:0016787 GO:0021795 GO:0021870 GO:0021904 GO:0021987 GO:0022008 GO:0030054 GO:0030165 GO:0030182 GO:0030326 GO:0030424 GO:0030425 GO:0030426 GO:0030900 GO:0031410 GO:0031594 GO:0031965 GO:0032436 GO:0032469 GO:0034205 GO:0035253 GO:0035282 GO:0035556 GO:0040011 GO:0042325 GO:0042987 GO:0043005 GO:0043011 GO:0043025 GO:0043065 GO:0043066 GO:0043085 GO:0043198 GO:0043227 GO:0043234 GO:0043393 GO:0043406 GO:0043524 GO:0043589 GO:0044267 GO:0045121 GO:0045296 GO:0045860 GO:0045893 GO:0048167 GO:0048538 GO:0048666 GO:0048705 GO:0048854 GO:0050435 GO:0050673 GO:0050771 GO:0050820 GO:0050852 GO:0051402 GO:0051444 GO:0051563 GO:0051604 GO:0051966 GO:0060070 GO:0060075 GO:0060999 GO:0070588 GO:0070765 GO:0098793 GO:2000059 GO:2001234
100.070.5772.630.000.814zkjB GO:0003677 GO:0004518 GO:0004519 GO:0016787 GO:0043571 GO:0046872 GO:0051607 GO:0090305
110.070.6412.560.070.842vtyA GO:0016032 GO:0019050 GO:0039526
120.070.4643.370.070.701jgsA GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0009408 GO:0044212 GO:0045892 GO:0046677 GO:0071236
130.070.4993.430.020.803ksyA GO:0000165 GO:0001782 GO:0001942 GO:0002260 GO:0003007 GO:0003209 GO:0003344 GO:0003677 GO:0005085 GO:0005088 GO:0005089 GO:0005096 GO:0005622 GO:0005829 GO:0005886 GO:0007165 GO:0007173 GO:0007264 GO:0007265 GO:0007296 GO:0007411 GO:0008286 GO:0014069 GO:0017124 GO:0033081 GO:0035023 GO:0035264 GO:0038095 GO:0038128 GO:0042129 GO:0043025 GO:0043065 GO:0043547 GO:0045742 GO:0046982 GO:0048011 GO:0048514 GO:0050900 GO:0051056 GO:0051057 GO:0060021 GO:0061029 GO:0061384 GO:1904693 GO:2000973
140.070.4802.720.050.755fn2B GO:0000045 GO:0000122 GO:0000139 GO:0000186 GO:0000776 GO:0001568 GO:0001708 GO:0001756 GO:0001764 GO:0001921 GO:0001933 GO:0001934 GO:0001947 GO:0002244 GO:0002286 GO:0002573 GO:0003407 GO:0004175 GO:0004190 GO:0005262 GO:0005622 GO:0005634 GO:0005640 GO:0005739 GO:0005743 GO:0005765 GO:0005783 GO:0005789 GO:0005790 GO:0005791 GO:0005794 GO:0005813 GO:0005886 GO:0005887 GO:0006469 GO:0006486 GO:0006508 GO:0006509 GO:0006839 GO:0006874 GO:0006914 GO:0006915 GO:0006974 GO:0006979 GO:0007155 GO:0007175 GO:0007176 GO:0007219 GO:0007220 GO:0007420 GO:0007507 GO:0007611 GO:0007613 GO:0008013 GO:0008233 GO:0009791 GO:0009986 GO:0015031 GO:0015813 GO:0015871 GO:0016020 GO:0016021 GO:0016080 GO:0016235 GO:0016337 GO:0016485 GO:0016787 GO:0021795 GO:0021870 GO:0021904 GO:0021987 GO:0022008 GO:0030054 GO:0030165 GO:0030182 GO:0030326 GO:0030424 GO:0030425 GO:0030426 GO:0030900 GO:0031410 GO:0031594 GO:0031965 GO:0032436 GO:0032469 GO:0034205 GO:0035253 GO:0035282 GO:0035556 GO:0040011 GO:0042325 GO:0042987 GO:0043005 GO:0043011 GO:0043025 GO:0043065 GO:0043066 GO:0043085 GO:0043198 GO:0043227 GO:0043234 GO:0043393 GO:0043406 GO:0043524 GO:0043589 GO:0044267 GO:0045121 GO:0045296 GO:0045860 GO:0045893 GO:0048167 GO:0048538 GO:0048666 GO:0048705 GO:0048854 GO:0050435 GO:0050673 GO:0050771 GO:0050820 GO:0050852 GO:0051402 GO:0051444 GO:0051563 GO:0051604 GO:0051966 GO:0060070 GO:0060075 GO:0060999 GO:0070588 GO:0070765 GO:0098793 GO:2000059 GO:2001234
150.070.4443.600.040.732kr6A GO:0000045 GO:0000122 GO:0000139 GO:0000186 GO:0000776 GO:0001568 GO:0001708 GO:0001756 GO:0001764 GO:0001921 GO:0001933 GO:0001934 GO:0001947 GO:0002244 GO:0002286 GO:0002573 GO:0003407 GO:0004175 GO:0004190 GO:0005262 GO:0005622 GO:0005634 GO:0005640 GO:0005739 GO:0005743 GO:0005765 GO:0005783 GO:0005789 GO:0005790 GO:0005791 GO:0005794 GO:0005813 GO:0005886 GO:0005887 GO:0006469 GO:0006486 GO:0006508 GO:0006509 GO:0006839 GO:0006874 GO:0006914 GO:0006915 GO:0006974 GO:0006979 GO:0007155 GO:0007175 GO:0007176 GO:0007219 GO:0007220 GO:0007420 GO:0007507 GO:0007611 GO:0007613 GO:0008013 GO:0008233 GO:0009791 GO:0009986 GO:0015031 GO:0015813 GO:0015871 GO:0016020 GO:0016021 GO:0016080 GO:0016235 GO:0016337 GO:0016485 GO:0016787 GO:0021795 GO:0021870 GO:0021904 GO:0021987 GO:0022008 GO:0030054 GO:0030165 GO:0030182 GO:0030326 GO:0030424 GO:0030425 GO:0030426 GO:0030900 GO:0031410 GO:0031594 GO:0031965 GO:0032436 GO:0032469 GO:0034205 GO:0035253 GO:0035282 GO:0035556 GO:0040011 GO:0042325 GO:0042987 GO:0043005 GO:0043011 GO:0043025 GO:0043065 GO:0043066 GO:0043085 GO:0043198 GO:0043227 GO:0043234 GO:0043393 GO:0043406 GO:0043524 GO:0043589 GO:0044267 GO:0045121 GO:0045296 GO:0045860 GO:0045893 GO:0048167 GO:0048538 GO:0048666 GO:0048705 GO:0048854 GO:0050435 GO:0050673 GO:0050771 GO:0050820 GO:0050852 GO:0051402 GO:0051444 GO:0051563 GO:0051604 GO:0051966 GO:0060070 GO:0060075 GO:0060999 GO:0070588 GO:0070765 GO:0098793 GO:2000059 GO:2001234
160.070.5442.690.030.773l0mA GO:0000166 GO:0003824 GO:0005085 GO:0005524 GO:0005576 GO:0005622 GO:0006612 GO:0008152 GO:0008289 GO:0009405 GO:0016020 GO:0016740 GO:0016779 GO:0017137 GO:0018117 GO:0018260 GO:0033644 GO:0043087 GO:0043547 GO:0044161 GO:0044162 GO:0044600 GO:0070273 GO:0070733
170.070.5333.510.100.864npcB GO:0016491 GO:0055114
180.070.5262.910.030.773l0iC GO:0000166 GO:0003824 GO:0005085 GO:0005524 GO:0005576 GO:0005622 GO:0006612 GO:0008152 GO:0008289 GO:0009405 GO:0016020 GO:0016740 GO:0016779 GO:0017137 GO:0018117 GO:0018260 GO:0033644 GO:0043087 GO:0043547 GO:0044161 GO:0044162 GO:0044600 GO:0070273 GO:0070733


Consensus prediction of GO terms		 
Molecular Function GO:0015405 GO:0016462 GO:0005524 GO:0046983 GO:0042802 GO:0015077 GO:0046873 GO:0031420
GO-Score 0.54 0.54 0.47 0.38 0.38 0.38 0.38 0.38
Biological Processes GO:0006818 GO:0015672 GO:1900723 GO:0030001 GO:0098662
GO-Score 0.54 0.54 0.47 0.38 0.38
Cellular Component GO:0031226 GO:0016021
GO-Score 0.38 0.32

(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.