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I-TASSER results for job id Rv1386

[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
10.21 81 3bknC HEM Rep, Mult 18,21,22,25,66,70,73,74,76,77
20.07 26 3ak9I FE2 Rep, Mult 28,62,66
30.06 22 1gu5B NUC Rep, Mult 50,51,54,55,57,58,59,61
40.06 22 2e42A NUC Rep, Mult 51,52,55,56,58,59,60
50.04 14 2oh3A ZN Rep, Mult 31,58,61
60.03 12 1gd2E NUC Rep, Mult 43,47,48,51,52,55,59
70.03 12 3a68B CA Rep, Mult 17,72,75
80.02 7 3mgnF DTR Rep, Mult 81,82,85,86
90.02 9 5e1uA RIR Rep, Mult 29,32,59,62,63,66
100.01 6 1t8zA 12P Rep, Mult 58,61,65,68,75
110.01 5 1a02F NUC Rep, Mult 55,56,59,60,62,63,66,67
120.01 3 1un9A MG Rep, Mult 44,45
130.00 1 3c9iB XE Rep, Mult 17,20
140.00 2 2w6dB CPL Rep, Mult 38,39,40,41,42,50,51,53
150.00 1 1i4d1 III Rep, Mult 15,18,21,22,25,26,28,29,30,32,33,66,69,73,76,77
160.00 1 3c9iC XE Rep, Mult 77,80
170.00 1 2iy4N FE Rep, Mult 23,26

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
10.3551wu0A0.4962.520.0970.6573.6.3.1481
20.2683e7kH0.4741.870.1430.5492.7.11.1NA
30.1722h8nA0.5321.620.0610.5883.5.1.9870
40.1621urfA0.5372.610.0530.7162.7.11.1315,20
50.1491wt6B0.5141.610.1130.5882.7.11.1NA
60.1071cxzB0.5532.330.0130.6862.7.11.13NA
70.0852w5jA0.4843.110.0780.6963.6.3.14NA
80.0603gm1B0.6102.120.0850.7162.7.10.226,65
90.0601vdkA0.6452.800.0540.8434.2.1.2NA
100.0602e9fB0.6292.690.1650.8334.3.2.1NA
110.0601u7lA0.6093.380.0700.9313.6.3.14NA
120.0603ffzA0.6053.510.0520.9413.4.24.69NA
130.0602zr3B0.6173.740.0800.9026.1.1.1163
140.0603no9A0.6502.940.1530.8734.2.1.2NA
150.0601z0hB0.3175.030.0420.6273.4.24.69NA
160.0602ahmE0.2963.100.0510.4022.7.7.48NA
170.0601yfmA0.6532.730.0710.8634.2.1.2NA
180.0601w27A0.5963.350.0710.9224.3.1.24NA
190.0601ukwA0.5982.470.0540.7551.3.99.3NA
200.0602b5uA0.7382.340.0690.9613.1.-.-18
210.0601t9gC0.5942.750.0960.7741.3.99.3NA
220.0601b8fA0.5973.440.0770.8534.3.1.3NA
230.0601qd1B0.3084.270.0920.5002.1.2.5,4.3.1.4NA
240.0601udyA0.5992.740.0960.7741.3.99.371
250.0601jswB0.6552.840.0430.8434.3.1.1NA
260.0602pfdB0.6052.970.1080.8632.1.2.5,4.3.1.421

(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
00.280.4911.410.040.541ysaC GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
10.250.4941.220.140.541kqlA GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
20.240.4701.760.060.541dh3A GO:0000785 GO:0000790 GO:0000975 GO:0000978 GO:0000980 GO:0001102 GO:0001190 GO:0001666 GO:0003677 GO:0003690 GO:0003700 GO:0003705 GO:0005634 GO:0005654 GO:0005667 GO:0005719 GO:0005739 GO:0005759 GO:0006351 GO:0006355 GO:0006366 GO:0006468 GO:0007179 GO:0007219 GO:0007409 GO:0007568 GO:0007595 GO:0007613 GO:0007623 GO:0008134 GO:0008361 GO:0008542 GO:0010033 GO:0010629 GO:0010944 GO:0014823 GO:0019899 GO:0021983 GO:0030154 GO:0030424 GO:0030544 GO:0030879 GO:0032916 GO:0033363 GO:0033762 GO:0034670 GO:0035035 GO:0035094 GO:0035497 GO:0035729 GO:0036120 GO:0036276 GO:0040018 GO:0042493 GO:0042752 GO:0042802 GO:0042981 GO:0043065 GO:0043565 GO:0044212 GO:0045600 GO:0045672 GO:0045893 GO:0045899 GO:0045944 GO:0046887 GO:0046889 GO:0048145 GO:0048511 GO:0050821 GO:0055025 GO:0060251 GO:0060428 GO:0060430 GO:0060509 GO:0071294 GO:0071363 GO:0071398 GO:0071560 GO:1900273 GO:1901215 GO:1902065 GO:1990090 GO:1990314 GO:1990589 GO:1990763
30.190.8032.130.061.004ckgA GO:0005096 GO:0005768 GO:0006810 GO:0015031 GO:0016020 GO:0043547 GO:0046872 GO:0055038
40.180.5281.690.110.603tnuB GO:0005198 GO:0005200 GO:0005634 GO:0005737 GO:0005739 GO:0005829 GO:0005882 GO:0005886 GO:0008544 GO:0016020 GO:0031581 GO:0045095 GO:0070062 GO:0097110
50.170.5101.620.090.594c46C GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
60.160.8311.990.050.991ciiA GO:0005886 GO:0016020 GO:0016021 GO:0019835 GO:0042742 GO:0050829
70.150.4782.030.070.582n9bA GO:0000122 GO:0000166 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0001726 GO:0003677 GO:0003682 GO:0003700 GO:0003774 GO:0003779 GO:0005516 GO:0005524 GO:0005547 GO:0005634 GO:0005667 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005938 GO:0006351 GO:0006355 GO:0006366 GO:0006810 GO:0007165 GO:0008360 GO:0008652 GO:0010691 GO:0016020 GO:0016459 GO:0030027 GO:0030705 GO:0030898 GO:0031527 GO:0032433 GO:0042802 GO:0042995 GO:0043565 GO:0045899 GO:0051015 GO:0051489 GO:0060002 GO:0060261 GO:1903833
80.100.5662.310.040.731envA GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0002223 GO:0003677 GO:0003682 GO:0003700 GO:0005198 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0016020 GO:0016021 GO:0016032 GO:0019012 GO:0019031 GO:0019062 GO:0019064 GO:0019082 GO:0020002 GO:0030683 GO:0033644 GO:0039654 GO:0039663 GO:0042802 GO:0043565 GO:0044174 GO:0044175 GO:0045899 GO:0046718 GO:0055036 GO:0060261 GO:0075509 GO:0075512 GO:1903833
90.090.4632.440.070.603layJ GO:0008270 GO:0042597
100.090.6512.960.080.932q13A GO:0005634 GO:0005737 GO:0005768 GO:0005829 GO:0007049 GO:0007165 GO:0008283 GO:0008286 GO:0010008 GO:0012506 GO:0016020 GO:0016581 GO:0031901 GO:0042802 GO:0043422 GO:0046324 GO:0070062 GO:0090003 GO:0097192
110.080.6223.230.040.964h8sC GO:0005634 GO:0005737 GO:0005768 GO:0007049 GO:0007165 GO:0008283 GO:0010008 GO:0016020 GO:0016581 GO:0031901 GO:0070062
120.070.5481.580.050.603o0zD GO:0000139 GO:0000166 GO:0001726 GO:0003383 GO:0004672 GO:0004674 GO:0005524 GO:0005737 GO:0005794 GO:0005814 GO:0005829 GO:0005856 GO:0005886 GO:0006468 GO:0006915 GO:0006921 GO:0006939 GO:0007159 GO:0007165 GO:0007249 GO:0007266 GO:0016020 GO:0016301 GO:0016310 GO:0016525 GO:0016740 GO:0017048 GO:0017049 GO:0022614 GO:0030027 GO:0030036 GO:0030155 GO:0030866 GO:0032059 GO:0032060 GO:0032091 GO:0032956 GO:0032970 GO:0035509 GO:0035556 GO:0042995 GO:0043524 GO:0045616 GO:0046872 GO:0048010 GO:0048013 GO:0050900 GO:0050901 GO:0051451 GO:0051492 GO:0051493 GO:0051893 GO:0051894 GO:0090002 GO:1903140 GO:1903347 GO:2000114 GO:2000145
130.070.5062.610.070.641a87A GO:0005886 GO:0016020 GO:0016021 GO:0019835 GO:0042742 GO:0050829
140.070.5253.290.040.701rh1A GO:0005886 GO:0009405 GO:0016020 GO:0016021 GO:0019835 GO:0042742 GO:0050829
150.060.3334.230.040.602ad5B GO:0000166 GO:0003883 GO:0005524 GO:0005829 GO:0006221 GO:0006241 GO:0006541 GO:0016874 GO:0042802 GO:0044210
160.060.4004.900.040.773fewX GO:0016020 GO:0016021 GO:0019835 GO:0050829
170.060.3593.810.030.542h1yB GO:0003824 GO:0004314 GO:0008152 GO:0016740 GO:0016746
180.060.3904.770.020.723uzsA GO:0000166 GO:0002029 GO:0002031 GO:0003108 GO:0004672 GO:0004674 GO:0004703 GO:0005524 GO:0005737 GO:0005829 GO:0005886 GO:0006468 GO:0006886 GO:0007165 GO:0007186 GO:0007213 GO:0009966 GO:0016020 GO:0016301 GO:0016310 GO:0016740 GO:0018105 GO:0031694 GO:0031755 GO:0045988 GO:0047696 GO:0060048
190.060.3754.850.040.734mk0A GO:0000166 GO:0002026 GO:0002029 GO:0003108 GO:0004672 GO:0004674 GO:0004703 GO:0005524 GO:0005737 GO:0005829 GO:0005886 GO:0006468 GO:0007165 GO:0007186 GO:0007213 GO:0007217 GO:0007507 GO:0016020 GO:0016301 GO:0016310 GO:0016740 GO:0018105 GO:0018107 GO:0019079 GO:0031623 GO:0031694 GO:0031755 GO:0033605 GO:0045988 GO:0046718 GO:0047696 GO:0060048 GO:0072372
200.060.3475.030.040.661m7sA GO:0004096 GO:0004601 GO:0006979 GO:0016491 GO:0020037 GO:0042597 GO:0042744 GO:0046872 GO:0055114 GO:0098869
210.060.3293.210.000.432dn6A GO:0003677 GO:0005509 GO:0005524 GO:0005634 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005913 GO:0007204 GO:0008064 GO:0016020 GO:0016444 GO:0030027 GO:0030835 GO:0032233 GO:0032880 GO:0033633 GO:0042995 GO:0045190 GO:0051017 GO:0060754 GO:0098609 GO:0098641 GO:1902309
220.060.3422.610.050.451colA GO:0005886 GO:0016020 GO:0016021 GO:0019835 GO:0042742 GO:0050829
230.060.3393.750.030.463ljuX GO:0005096 GO:0005634 GO:0005737 GO:0005886 GO:0007166 GO:0043087 GO:0043533 GO:0043547 GO:0046872
240.060.3153.620.040.432y7bA GO:0000281 GO:0000921 GO:0002244 GO:0003779 GO:0005634 GO:0005654 GO:0005737 GO:0005826 GO:0005856 GO:0005913 GO:0005938 GO:0007049 GO:0007067 GO:0007096 GO:0015629 GO:0043231 GO:0051301 GO:0090521 GO:0098609 GO:0098641


Consensus prediction of GO terms		 
Molecular Function GO:0042802 GO:0000978 GO:0001190 GO:0001085 GO:0019899 GO:0001158 GO:0033613 GO:0031072 GO:0000981 GO:0003682 GO:0001135 GO:0001084 GO:0043169 GO:0030695 GO:0008047 GO:0005198
GO-Score 0.59 0.59 0.59 0.49 0.49 0.49 0.49 0.49 0.46 0.46 0.46 0.46 0.38 0.38 0.38 0.36
Biological Processes GO:0045899 GO:0007589 GO:0048286 GO:0032910 GO:0048639 GO:0046883 GO:0006464 GO:0048812 GO:0042981 GO:0071248 GO:0036293 GO:1900271 GO:0071636 GO:0070542 GO:0061564 GO:0016050 GO:0021536 GO:0007623 GO:0071375 GO:0045844 GO:0031647 GO:0032941 GO:0060487 GO:0007178 GO:0045598 GO:0007632 GO:0055024 GO:0071560 GO:0008306 GO:0010256 GO:0014070 GO:0010043 GO:1990089 GO:0071396 GO:0071229 GO:0006935 GO:0016310 GO:0045670 GO:0002763 GO:0040014 GO:0014009 GO:0014013 GO:0035270 GO:0035728 GO:0046890 GO:0048144 GO:0045834 GO:0060548 GO:0043279 GO:0042127 GO:1901214 GO:0048667 GO:0036119 GO:0030879 GO:0032535 GO:0043068 GO:1903532 GO:0008652 GO:0010691 GO:0001080 GO:1903833 GO:0045184 GO:0051345 GO:0071702 GO:0043087 GO:0007044
GO-Score 0.59 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.46 0.46 0.46 0.46 0.38 0.38 0.38 0.38 0.36
Cellular Component GO:0000790 GO:0043005 GO:0000791 GO:0090575 GO:0044429 GO:0010008 GO:0055037 GO:0099513 GO:0045111 GO:0071944 GO:1903561 GO:0031988
GO-Score 0.59 0.49 0.49 0.49 0.49 0.38 0.38 0.36 0.36 0.36 0.36 0.36

(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.