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I-TASSER results for job id Rv1444c

[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
10.12 10 3a7kD 22B Rep, Mult 45,49,83,87,91,94
20.07 6 1gtwA NUC Rep, Mult 83,84,88,90,91,92
30.05 5 3p0wA MG Rep, Mult 78,106,136
40.05 4 3hahA CA Rep, Mult 60,61,63,69,73
50.05 4 5jqhA CLR Rep, Mult 57,81,84,85
60.03 3 1mz9B VDY Rep, Mult 32,35,39
70.02 2 1h89A NUC Rep, Mult 3,7,10,11,15,18,22
80.02 2 1gd2E NUC Rep, Mult 10,13,18,21,24
90.02 2 1gtwB NUC Rep, Mult 87,90,91,93,94,95,97
100.01 1 3swfB ZN Rep, Mult 36,40
110.01 1 5absA ZN Rep, Mult 25,29
120.01 1 2hn2A CA Rep, Mult 29,33
130.01 1 1kmi1 III Rep, Mult 74,75,78,81,82,83,85,86,90
140.01 1 3r6nB D1D Rep, Mult 53,54,57,81,84
150.01 1 2x7aI MG Rep, Mult 56,60
160.01 1 1nwqC NUC Rep, Mult 90,91,94,95,97,98,99
170.01 1 1i4d1 III Rep, Mult 40,43,46,47,50,51,53,54,55,57,58,85,88,92,95,96

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
10.1411cxzB0.4681.960.0930.5372.7.11.1356
20.1291urfA0.4632.740.1120.5592.7.11.1394
30.0661wcrA0.4562.590.0810.5372.7.1.69NA
40.0601a31A0.3453.570.0150.4855.99.1.2NA
50.0602pfdB0.5153.170.0650.6912.1.2.5,4.3.1.456
60.0602iw5A0.7542.510.1090.9491.-.-.-NA
70.0601p49A0.5874.070.0570.8753.1.6.2NA
80.0601sesA0.5204.300.1000.7796.1.1.1158,72
90.0601tj7A0.5163.360.0880.6914.3.2.1NA
100.0602nyfA0.5393.190.1370.7214.3.1.5NA
110.0603lssB0.5703.120.0550.7356.1.1.1166
120.0603czoB0.4803.240.0320.6624.3.1.3NA
130.0601w07B0.5443.560.0180.7281.3.3.6NA
140.0601rr8C0.2744.760.0110.4345.99.1.2NA
150.0602zr3B0.5953.860.0630.8096.1.1.11NA
160.0602b5uA0.7512.910.0590.9933.1.-.-64
170.0601u7lA0.6194.300.0740.9563.6.3.14NA
180.0602e9fB0.5253.280.0700.6994.3.2.1NA
190.0602ahmE0.2393.430.0180.3162.7.7.4894
200.0601b8fA0.5553.280.0640.7354.3.1.3NA
210.0602dq3A0.6053.450.0860.7726.1.1.1183
220.0603b8cA0.5154.420.0650.8163.6.3.6NA

(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
00.390.5712.740.100.721qbzA GO:0005198 GO:0016020 GO:0016021 GO:0016032 GO:0019012 GO:0019031 GO:0019062 GO:0020002 GO:0033644 GO:0039663 GO:0044174 GO:0044175 GO:0046718 GO:0055036
10.360.7922.620.071.004jpsB GO:0001678 GO:0001953 GO:0005068 GO:0005158 GO:0005159 GO:0005168 GO:0005634 GO:0005737 GO:0005801 GO:0005829 GO:0005886 GO:0005911 GO:0005942 GO:0005943 GO:0006468 GO:0006661 GO:0006810 GO:0007162 GO:0007165 GO:0007173 GO:0008134 GO:0008286 GO:0008625 GO:0008630 GO:0014065 GO:0014066 GO:0015031 GO:0016020 GO:0016032 GO:0016303 GO:0019903 GO:0030168 GO:0030183 GO:0030335 GO:0031295 GO:0032760 GO:0032869 GO:0033120 GO:0034644 GO:0034976 GO:0035014 GO:0036092 GO:0036312 GO:0038095 GO:0038096 GO:0038128 GO:0042993 GO:0043066 GO:0043125 GO:0043548 GO:0043551 GO:0043559 GO:0043560 GO:0045671 GO:0045944 GO:0046326 GO:0046854 GO:0046934 GO:0046935 GO:0046982 GO:0048009 GO:0048010 GO:0048015 GO:0050821 GO:0050852 GO:0050900 GO:0051492 GO:0051531 GO:0060396 GO:0090003 GO:0090004 GO:1900103 GO:1990578 GO:2001275
20.300.8082.410.060.993l4qC GO:0001678 GO:0005634 GO:0005925 GO:0005942 GO:0006810 GO:0007165 GO:0008134 GO:0008286 GO:0010506 GO:0014065 GO:0015031 GO:0016303 GO:0030833 GO:0032869 GO:0034976 GO:0035014 GO:0036092 GO:0036312 GO:0042993 GO:0043551 GO:0045785 GO:0045944 GO:0046854 GO:0046935 GO:0046982 GO:0051492 GO:0090003 GO:2001275
30.300.8252.360.070.994l1bB GO:0001678 GO:0001953 GO:0005068 GO:0005158 GO:0005159 GO:0005168 GO:0005634 GO:0005737 GO:0005801 GO:0005829 GO:0005886 GO:0005911 GO:0005942 GO:0005943 GO:0006468 GO:0006661 GO:0006810 GO:0007162 GO:0007165 GO:0007173 GO:0008134 GO:0008286 GO:0008625 GO:0008630 GO:0014065 GO:0014066 GO:0015031 GO:0016020 GO:0016032 GO:0016303 GO:0019903 GO:0030168 GO:0030183 GO:0030335 GO:0031295 GO:0032760 GO:0032869 GO:0033120 GO:0034644 GO:0034976 GO:0035014 GO:0036092 GO:0036312 GO:0038095 GO:0038096 GO:0038128 GO:0042993 GO:0043066 GO:0043125 GO:0043548 GO:0043551 GO:0043559 GO:0043560 GO:0045671 GO:0045944 GO:0046326 GO:0046854 GO:0046934 GO:0046935 GO:0046982 GO:0048009 GO:0048010 GO:0048015 GO:0050821 GO:0050852 GO:0050900 GO:0051492 GO:0051531 GO:0060396 GO:0090003 GO:0090004 GO:1900103 GO:1990578 GO:2001275
40.280.7392.230.060.902y3aB GO:0001678 GO:0005634 GO:0005925 GO:0005942 GO:0006810 GO:0007165 GO:0008134 GO:0008286 GO:0010506 GO:0014065 GO:0015031 GO:0016303 GO:0019903 GO:0030833 GO:0030971 GO:0032869 GO:0034976 GO:0036092 GO:0036312 GO:0042325 GO:0042993 GO:0043551 GO:0045785 GO:0045944 GO:0046935 GO:0046982 GO:0051492 GO:0090003
50.250.5713.540.100.822ezoA GO:0005198 GO:0016020 GO:0016021 GO:0016032 GO:0019012 GO:0019031 GO:0019062 GO:0020002 GO:0033644 GO:0039663 GO:0044174 GO:0044175 GO:0046718 GO:0055036
60.240.5451.840.080.623p30A
70.240.7922.390.070.984ovvB GO:0001678 GO:0001953 GO:0005068 GO:0005158 GO:0005159 GO:0005168 GO:0005634 GO:0005737 GO:0005801 GO:0005829 GO:0005886 GO:0005911 GO:0005942 GO:0005943 GO:0006468 GO:0006661 GO:0006810 GO:0007162 GO:0007165 GO:0007173 GO:0008134 GO:0008286 GO:0008625 GO:0008630 GO:0014065 GO:0014066 GO:0015031 GO:0016020 GO:0016032 GO:0016303 GO:0019903 GO:0030168 GO:0030183 GO:0030335 GO:0031295 GO:0032760 GO:0032869 GO:0033120 GO:0034644 GO:0034976 GO:0035014 GO:0036092 GO:0036312 GO:0038095 GO:0038096 GO:0038128 GO:0042993 GO:0043066 GO:0043125 GO:0043548 GO:0043551 GO:0043559 GO:0043560 GO:0045671 GO:0045944 GO:0046326 GO:0046854 GO:0046934 GO:0046935 GO:0046982 GO:0048009 GO:0048010 GO:0048015 GO:0050821 GO:0050852 GO:0050900 GO:0051492 GO:0051531 GO:0060396 GO:0090003 GO:0090004 GO:1900103 GO:1990578 GO:2001275
80.210.4531.800.030.521jq0A GO:0005198 GO:0016020 GO:0016021 GO:0016032 GO:0019012 GO:0019031 GO:0019062 GO:0039663 GO:0044174 GO:0044175 GO:0046718 GO:0055036
90.180.5443.490.040.761envA 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
100.180.5162.380.060.623wfvA GO:0005198 GO:0016020 GO:0016021 GO:0016032 GO:0019012 GO:0019031 GO:0019062 GO:0020002 GO:0033644 GO:0039663 GO:0044174 GO:0044175 GO:0046718 GO:0055036
110.160.7702.380.060.954yknA GO:0000166 GO:0001525 GO:0001889 GO:0001944 GO:0004674 GO:0005524 GO:0005622 GO:0005829 GO:0005886 GO:0005942 GO:0005943 GO:0006006 GO:0006468 GO:0006661 GO:0006909 GO:0007173 GO:0010468 GO:0014066 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0030027 GO:0030168 GO:0030295 GO:0031295 GO:0032147 GO:0033138 GO:0035004 GO:0035005 GO:0036092 GO:0038028 GO:0038095 GO:0038096 GO:0038128 GO:0040014 GO:0043457 GO:0043491 GO:0043524 GO:0043542 GO:0043560 GO:0044029 GO:0046854 GO:0046934 GO:0048010 GO:0048015 GO:0050852 GO:0050900 GO:0060048 GO:0060612 GO:0071333 GO:0097009 GO:0098779 GO:2000270 GO:2000653 GO:2000811
120.160.5122.040.060.593k9aA
130.090.6812.790.070.854e68A GO:0000790 GO:0000978 GO:0000981 GO:0001077 GO:0001103 GO:0001228 GO:0001659 GO:0001754 GO:0003677 GO:0003700 GO:0004871 GO:0004879 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005743 GO:0005829 GO:0005886 GO:0006351 GO:0006355 GO:0006366 GO:0006606 GO:0006953 GO:0007165 GO:0007259 GO:0007568 GO:0008134 GO:0008283 GO:0008285 GO:0010033 GO:0010628 GO:0010730 GO:0014070 GO:0016310 GO:0019221 GO:0019827 GO:0019901 GO:0019903 GO:0019953 GO:0030522 GO:0031490 GO:0031730 GO:0032355 GO:0032870 GO:0033210 GO:0034097 GO:0035259 GO:0035278 GO:0040014 GO:0042493 GO:0042517 GO:0042593 GO:0042755 GO:0042802 GO:0043066 GO:0043434 GO:0043565 GO:0044212 GO:0044320 GO:0044321 GO:0045471 GO:0045747 GO:0045820 GO:0045893 GO:0045944 GO:0046902 GO:0046983 GO:0048708 GO:0051726 GO:0060019 GO:0060259 GO:0060396 GO:0060397 GO:0060548 GO:0070102 GO:0071345 GO:0071407 GO:0090575 GO:0097009 GO:1901215 GO:1902728 GO:1902895 GO:1904685 GO:2000637 GO:2000737 GO:2001171 GO:2001223
140.070.4312.030.070.514c46C 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
150.070.4423.800.030.594w9uB GO:0003995 GO:0004361 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
160.070.4812.800.080.624javA GO:0000155 GO:0000160 GO:0000166 GO:0005524 GO:0005622 GO:0007165 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0023014
170.060.2763.660.020.384ehiB GO:0003824 GO:0003937 GO:0004643 GO:0006164 GO:0006189 GO:0008152 GO:0016740 GO:0016787
180.060.3134.640.060.514k2nA GO:0003824 GO:0008152
190.060.3383.840.020.454asxA GO:0000166 GO:0001702 GO:0001934 GO:0004672 GO:0004674 GO:0004675 GO:0004702 GO:0005524 GO:0005737 GO:0005886 GO:0005887 GO:0006468 GO:0007178 GO:0007283 GO:0007368 GO:0007498 GO:0008584 GO:0009952 GO:0009966 GO:0009986 GO:0010862 GO:0015026 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0017002 GO:0019838 GO:0023014 GO:0030165 GO:0030501 GO:0030509 GO:0030510 GO:0032924 GO:0032927 GO:0034673 GO:0034711 GO:0042713 GO:0043084 GO:0043235 GO:0043621 GO:0045648 GO:0045669 GO:0045944 GO:0046872 GO:0048185 GO:0048706 GO:0050999 GO:0060011 GO:0071773 GO:0098821
200.060.3035.840.030.643nnjA GO:0003824 GO:0008080 GO:0008152 GO:0016740 GO:0031177
210.060.2935.140.020.532qneA GO:0008168 GO:0015948 GO:0032259
220.060.2584.130.030.393r38A GO:0003824 GO:0005737 GO:0007049 GO:0008360 GO:0008760 GO:0009252 GO:0016740 GO:0016765 GO:0019277 GO:0051301 GO:0071555
230.060.2644.930.040.491e1cA GO:0003824 GO:0004494 GO:0008152 GO:0016853 GO:0016866 GO:0031419 GO:0046872
240.060.2965.280.030.534pzlB GO:0000166 GO:0004017 GO:0005524 GO:0005737 GO:0006139 GO:0009165 GO:0016301 GO:0016310 GO:0016740 GO:0016776 GO:0019205 GO:0044209 GO:0046939
250.060.2575.040.040.464j7cB GO:0005886 GO:0006810 GO:0006811 GO:0006813 GO:0008324 GO:0016020 GO:0098655


Consensus prediction of GO terms		 
Molecular Function GO:0008134 GO:0016303 GO:0046982 GO:0046935 GO:0036312 GO:0019903 GO:0005159 GO:0043559 GO:0046934 GO:0005168 GO:0043560 GO:0005068 GO:0005158 GO:0043125 GO:0005198
GO-Score 0.77 0.77 0.77 0.77 0.77 0.67 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.39
Biological Processes GO:0043551 GO:0042993 GO:0045944 GO:0036092 GO:0008286 GO:0001678 GO:0051492 GO:2001275 GO:0046854 GO:0038096 GO:0014066 GO:0008625 GO:0043066 GO:0001953 GO:0034644 GO:0032760 GO:0048009 GO:0030183 GO:0038095 GO:0045671 GO:0038128 GO:0030335 GO:1900103 GO:0006468 GO:0031295 GO:0033120 GO:0051531 GO:0007173 GO:0050852 GO:0050821 GO:0048010 GO:0008630 GO:0060396 GO:0030168 GO:0050900 GO:0090004 GO:0010506 GO:0030833 GO:0039663 GO:0019062
GO-Score 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.69 0.69 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.50 0.50 0.39 0.39
Cellular Component GO:0005634 GO:0005886 GO:0005829 GO:0005801 GO:0005943 GO:1990578 GO:0005911 GO:0005925 GO:0020002 GO:0019031 GO:0016021 GO:0044175 GO:0055036
GO-Score 0.77 0.55 0.55 0.55 0.55 0.55 0.55 0.50 0.39 0.39 0.39 0.39 0.39

(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.