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I-TASSER results for job id Rv0965c

[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 2y02A 2CV Rep, Mult 55,58,81,85,88
20.06 4 3r2lA FE Rep, Mult 51,88,91
30.06 4 3f33A PFL Rep, Mult 52,55,56,59,89
40.05 3 3ge4A CA Rep, Mult 59,62,82
50.04 3 1iw7P MG Rep, Mult 66,67,68
60.04 3 4m1mA HG Rep, Mult 44,45,99
70.03 2 4cvoA MG Rep, Mult 82,86
80.03 2 3ogiB III Rep, Mult 30,43,44,47,54,57,58,61,64,88,95
90.02 1 2vs0B ZN Rep, Mult 49,96
100.02 1 1t8zB 12P Rep, Mult 84,91
110.01 1 3hpiB ZN Rep, Mult 97,99
120.01 1 1wdz0 III Rep, Mult 33,36,40,43,44,47,50,51,53,54,57,60,61,64,65,69,70,71,73,77,80,81,84,88,102
130.01 1 1g42A CA Rep, Mult 67,70
140.01 1 1jwyA BGC Rep, Mult 28,31,109,113
150.01 1 1z1nX ZN Rep, Mult 77,84
160.01 1 5ccgC CA Rep, Mult 110,113

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
10.2201cxzB0.4952.380.0820.5902.7.11.1359,63,65
20.0601m56A0.5283.670.0380.7411.9.3.147
30.0601h2aL0.5074.090.0750.7551.12.2.122
40.0601y8pA0.4953.440.0380.6832.7.11.2NA
50.0602occN0.5293.880.0300.7481.9.3.152
60.0601uyrA0.5034.780.0560.8636.4.1.2,6.3.4.14NA
70.0601occA0.5243.870.0370.7411.9.3.1NA
80.0602wyoA0.4983.890.0460.7196.3.2.346
90.0603e04D0.4984.030.0970.7194.2.1.287
100.0601frvB0.5213.930.0670.7551.12.2.122
110.0602frvD0.5243.930.0670.7551.12.2.1106
120.0602qb0B0.2954.490.0290.4753.2.1.17NA
130.0602b5uA0.6032.640.0510.7413.1.-.-NA
140.0601xmeA0.5293.170.0520.6911.9.3.1NA
150.0601k62B0.5083.160.0830.6264.3.2.1113
160.0603ffzA0.5044.570.0790.8423.4.24.69NA
170.0601vdkA0.4994.240.0530.7914.2.1.2NA
180.0602iw5A0.5373.070.0360.6981.-.-.-NA
190.0602pnrF0.4054.090.0520.6192.7.11.259
200.0601qleA0.5283.620.0370.7341.9.3.147

(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
00.200.6351.490.080.692vrzA GO:0005576 GO:0009405
10.200.6652.670.040.784wpeA GO:0000142 GO:0000144 GO:0000281 GO:0000917 GO:0005737 GO:0005856 GO:0005935 GO:0007049 GO:0007067 GO:0008092 GO:0044697 GO:0051301 GO:0090339
20.120.6733.110.060.862d4yA GO:0005198 GO:0005576 GO:0009288 GO:0009424 GO:0044780 GO:0071973
30.100.6533.510.050.841qoyA GO:0005576 GO:0009405 GO:0016020 GO:0016021 GO:0019835 GO:0020002 GO:0033644 GO:0042597 GO:0042802 GO:0044179 GO:0044532 GO:0051715
40.090.5043.760.030.744ut1A GO:0005198 GO:0009424 GO:0044780
50.080.6323.000.080.795jdoA GO:0016020 GO:0016021
60.070.6014.000.040.874n4wA GO:0000122 GO:0001503 GO:0001570 GO:0001649 GO:0001701 GO:0001708 GO:0001755 GO:0001947 GO:0002052 GO:0002053 GO:0003007 GO:0003140 GO:0003323 GO:0004871 GO:0004888 GO:0004930 GO:0005113 GO:0005506 GO:0005737 GO:0005794 GO:0005886 GO:0005901 GO:0005929 GO:0007165 GO:0007166 GO:0007186 GO:0007224 GO:0007228 GO:0007275 GO:0007368 GO:0007371 GO:0007389 GO:0007417 GO:0007494 GO:0008144 GO:0008284 GO:0009055 GO:0009952 GO:0009953 GO:0010468 GO:0010628 GO:0010629 GO:0016020 GO:0016021 GO:0017147 GO:0020037 GO:0021542 GO:0021696 GO:0021794 GO:0021904 GO:0021910 GO:0021938 GO:0021953 GO:0021987 GO:0022900 GO:0030666 GO:0030857 GO:0031069 GO:0034504 GO:0035264 GO:0035567 GO:0040018 GO:0042307 GO:0042475 GO:0042597 GO:0042813 GO:0042995 GO:0043066 GO:0043231 GO:0043392 GO:0045880 GO:0045892 GO:0045893 GO:0045944 GO:0046622 GO:0046872 GO:0048143 GO:0048468 GO:0048565 GO:0048568 GO:0048589 GO:0048741 GO:0048853 GO:0048873 GO:0050679 GO:0050821 GO:0051451 GO:0051799 GO:0060070 GO:0060170 GO:0060248 GO:0060413 GO:0060644 GO:0060684 GO:0061053 GO:0061113 GO:0070062 GO:0070986 GO:0071397 GO:0072001 GO:0072285 GO:0072372 GO:0090190 GO:0097542 GO:2000036 GO:2000826
70.070.5294.540.090.874qimA GO:0000122 GO:0001503 GO:0001570 GO:0001649 GO:0001701 GO:0001708 GO:0001755 GO:0001947 GO:0002052 GO:0002053 GO:0003007 GO:0003140 GO:0003323 GO:0004871 GO:0004888 GO:0004930 GO:0005113 GO:0005506 GO:0005737 GO:0005794 GO:0005886 GO:0005901 GO:0005929 GO:0007165 GO:0007166 GO:0007186 GO:0007224 GO:0007228 GO:0007275 GO:0007368 GO:0007371 GO:0007389 GO:0007417 GO:0007494 GO:0008144 GO:0008284 GO:0009055 GO:0009952 GO:0009953 GO:0010468 GO:0010628 GO:0010629 GO:0016020 GO:0016021 GO:0017147 GO:0020037 GO:0021542 GO:0021696 GO:0021794 GO:0021904 GO:0021910 GO:0021938 GO:0021953 GO:0021987 GO:0022900 GO:0030666 GO:0030857 GO:0031069 GO:0034504 GO:0035264 GO:0035567 GO:0040018 GO:0042307 GO:0042475 GO:0042597 GO:0042813 GO:0042995 GO:0043066 GO:0043231 GO:0043392 GO:0045880 GO:0045892 GO:0045893 GO:0045944 GO:0046622 GO:0046872 GO:0048143 GO:0048468 GO:0048565 GO:0048568 GO:0048589 GO:0048741 GO:0048853 GO:0048873 GO:0050679 GO:0050821 GO:0051451 GO:0051799 GO:0055114 GO:0060070 GO:0060170 GO:0060248 GO:0060413 GO:0060644 GO:0060684 GO:0061053 GO:0061113 GO:0070062 GO:0070986 GO:0071397 GO:0072001 GO:0072285 GO:0072372 GO:0090190 GO:0097542 GO:2000036 GO:2000826
80.070.6022.890.070.775c1fA GO:0001786 GO:0005547 GO:0005737 GO:0005826 GO:0005829 GO:0005856 GO:0007049 GO:0007067 GO:0051301 GO:0070273 GO:1903475
90.070.6523.300.050.855j65A GO:0030435
100.070.5323.890.040.764n6hA GO:0000060 GO:0004871 GO:0004930 GO:0004985 GO:0005506 GO:0005737 GO:0005886 GO:0005887 GO:0006955 GO:0007165 GO:0007186 GO:0007187 GO:0007193 GO:0007200 GO:0007218 GO:0007268 GO:0008344 GO:0009055 GO:0010629 GO:0016020 GO:0016021 GO:0019233 GO:0020037 GO:0022900 GO:0031226 GO:0031982 GO:0032460 GO:0032590 GO:0032793 GO:0033138 GO:0038003 GO:0038046 GO:0042597 GO:0042755 GO:0042923 GO:0043005 GO:0043679 GO:0045121 GO:0045211 GO:0046872 GO:0051881 GO:0051924 GO:0051930 GO:0055114 GO:0071363 GO:0071456 GO:0097237
110.070.5184.270.090.834ib4A GO:0001755 GO:0001819 GO:0001938 GO:0001965 GO:0002031 GO:0003007 GO:0003300 GO:0004871 GO:0004930 GO:0004993 GO:0005096 GO:0005506 GO:0005737 GO:0005886 GO:0005887 GO:0006182 GO:0006874 GO:0006939 GO:0007165 GO:0007186 GO:0007202 GO:0007205 GO:0007210 GO:0007507 GO:0007610 GO:0008144 GO:0008284 GO:0009055 GO:0010507 GO:0010513 GO:0014033 GO:0014065 GO:0014827 GO:0016020 GO:0016021 GO:0016310 GO:0019722 GO:0020037 GO:0022900 GO:0030054 GO:0030425 GO:0034220 GO:0035733 GO:0042310 GO:0042493 GO:0042597 GO:0043005 GO:0043025 GO:0043066 GO:0043123 GO:0043406 GO:0043547 GO:0043647 GO:0045202 GO:0046872 GO:0048598 GO:0050715 GO:0050795 GO:0051000 GO:0051209 GO:0051378 GO:0051781 GO:0055114 GO:0060548 GO:0070371 GO:0070374 GO:0070528 GO:0071418 GO:0071502 GO:1904015
120.070.4943.930.030.704l6rA GO:0004871 GO:0004888 GO:0004930 GO:0004967 GO:0005085 GO:0005506 GO:0005768 GO:0005886 GO:0005887 GO:0006091 GO:0006887 GO:0007165 GO:0007166 GO:0007186 GO:0007188 GO:0007189 GO:0007584 GO:0008217 GO:0009055 GO:0009755 GO:0016020 GO:0016021 GO:0017046 GO:0020037 GO:0022900 GO:0042593 GO:0042594 GO:0042597 GO:0043547 GO:0046872 GO:0055114 GO:0070873 GO:0071377
130.070.4724.160.020.724yayA GO:0001558 GO:0001596 GO:0001822 GO:0002018 GO:0002034 GO:0003081 GO:0004871 GO:0004930 GO:0004945 GO:0005506 GO:0005622 GO:0005886 GO:0005887 GO:0007165 GO:0007186 GO:0007200 GO:0007204 GO:0007266 GO:0009055 GO:0010744 GO:0010873 GO:0016020 GO:0016021 GO:0019229 GO:0019722 GO:0020037 GO:0022900 GO:0031711 GO:0032270 GO:0032430 GO:0033864 GO:0034374 GO:0035813 GO:0038166 GO:0042127 GO:0042312 GO:0042597 GO:0046872 GO:0046982 GO:0050727 GO:0050729 GO:0051482 GO:0055114 GO:0060326 GO:0086097 GO:2000379
140.070.5553.920.050.794eiyA GO:0001609 GO:0001973 GO:0004871 GO:0004930 GO:0005506 GO:0005886 GO:0005887 GO:0006171 GO:0006909 GO:0006915 GO:0006954 GO:0006968 GO:0007165 GO:0007186 GO:0007188 GO:0007267 GO:0007417 GO:0007596 GO:0007600 GO:0008015 GO:0009055 GO:0010579 GO:0016020 GO:0016021 GO:0019899 GO:0020037 GO:0022900 GO:0042597 GO:0042802 GO:0044267 GO:0046872 GO:0055114
150.070.4874.560.040.784iarA GO:0002031 GO:0004871 GO:0004930 GO:0004993 GO:0005506 GO:0005737 GO:0005886 GO:0005887 GO:0007165 GO:0007186 GO:0007187 GO:0007198 GO:0007205 GO:0007268 GO:0007610 GO:0007631 GO:0008144 GO:0009055 GO:0014059 GO:0014063 GO:0016020 GO:0016021 GO:0020037 GO:0022900 GO:0030818 GO:0032229 GO:0035690 GO:0042220 GO:0042310 GO:0042493 GO:0042597 GO:0042756 GO:0045471 GO:0046849 GO:0046872 GO:0050795 GO:0051378 GO:0051385 GO:0051967 GO:0055114 GO:0071312 GO:0071502
160.060.4983.960.040.765dhhB GO:0001626 GO:0001934 GO:0004871 GO:0004930 GO:0004985 GO:0005506 GO:0005886 GO:0005887 GO:0007165 GO:0007186 GO:0007193 GO:0007204 GO:0007218 GO:0007268 GO:0007600 GO:0007610 GO:0008022 GO:0009055 GO:0016020 GO:0016021 GO:0016023 GO:0019233 GO:0020037 GO:0022900 GO:0030817 GO:0030818 GO:0031410 GO:0032355 GO:0035810 GO:0038003 GO:0042597 GO:0042755 GO:0042923 GO:0043005 GO:0044849 GO:0045776 GO:0046872 GO:0051930 GO:0060454 GO:1901386 GO:1904058 GO:1904059
170.060.4713.070.040.611w07B GO:0000062 GO:0001676 GO:0003995 GO:0003997 GO:0005777 GO:0005829 GO:0006629 GO:0006631 GO:0006635 GO:0008152 GO:0009055 GO:0009506 GO:0009611 GO:0009620 GO:0009695 GO:0016491 GO:0016627 GO:0033539 GO:0046686 GO:0050660 GO:0052890 GO:0055088 GO:0055114
180.060.4384.280.040.674ntjA GO:0001609 GO:0001621 GO:0001973 GO:0004871 GO:0004930 GO:0005085 GO:0005506 GO:0005622 GO:0005739 GO:0005886 GO:0005887 GO:0005901 GO:0006930 GO:0007165 GO:0007186 GO:0007188 GO:0007193 GO:0007596 GO:0007599 GO:0008347 GO:0009055 GO:0009897 GO:0009925 GO:0009986 GO:0010700 GO:0016020 GO:0016021 GO:0020037 GO:0022900 GO:0030030 GO:0030168 GO:0031224 GO:0035589 GO:0042597 GO:0043270 GO:0043491 GO:0043547 GO:0045028 GO:0045596 GO:0046872 GO:0051924 GO:0055114 GO:0070527 GO:0070588 GO:0071318 GO:0071407 GO:0071805 GO:1904139


Consensus prediction of GO terms
 
Molecular Function GO:0005515
GO-Score 0.39
Biological Processes GO:0051704 GO:1902410 GO:0032232 GO:0000280 GO:0090337 GO:0090529 GO:0030031 GO:0070925 GO:0044781
GO-Score 0.56 0.39 0.39 0.39 0.39 0.39 0.38 0.38 0.38
Cellular Component GO:0000399 GO:0005826 GO:0032161 GO:0043234 GO:0005940 GO:0044461 GO:0005576
GO-Score 0.39 0.39 0.39 0.39 0.39 0.38 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.