[Home] [Server] [About] [Statistics] [Annotation]

I-TASSER results for job id Rv2273

[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
10.14 8 2dysA DCW Rep, Mult 30,65,68
20.06 4 3rbmA B73 Rep, Mult 31,32,35
30.06 4 5ek0A 5P2 Rep, Mult 16,19,20,22,23,67,68,69,71,72,75,84,89,92,93,96
40.03 2 2dysN DCW Rep, Mult 30,65
50.03 2 3oibA IOD Rep, Mult 15,18,89
60.02 1 5l1gC GYB Rep, Mult 22,25,26,29
70.02 1 1rwtC CLA Rep, Mult 13,105
80.02 1 4ezvA III Rep, Mult 28,31,100
90.02 1 4d2eD 78N Rep, Mult 25,28,29,97,100,104
100.02 1 3m50A EBT Rep, Mult 21,24,25
110.02 1 4qi1B MPG Rep, Mult 53,60,67,68,96,97,103
120.02 1 2zhcA MG Rep, Mult 10,12
130.02 1 3pyrI MG Rep, Mult 35,38
140.02 1 1bm1A DPG Rep, Mult 30,33,34,36,39,54,57,58,61
150.02 1 1jm0A DMS Rep, Mult 55,56,59,99
160.02 1 3gm1B III Rep, Mult 26,30,33,38,57,58,61,65
170.02 1 4amjB 2CV Rep, Mult 1,17

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
10.0662ksfA0.5423.390.0330.7802.7.13.361,92,95
20.0661q0mD0.5703.220.0790.7801.15.1.135
30.0663g4xA0.5673.210.0670.7801.15.1.120,68
40.0602hvgA0.6833.290.0560.9634.3.2.2NA
50.0601k7wD0.6683.710.1310.9824.3.2.1NA
60.0601vdkA0.6822.870.0930.9174.2.1.225
70.0601f1oA0.6583.790.0461.0004.3.2.2NA
80.0602yyjA0.6663.580.0640.9541.14.13.3NA
90.0601q5nA0.6523.400.0750.9635.5.1.2NA
100.0603gm1B0.6743.200.0570.9172.7.10.293
110.0601xmeA0.6443.380.0900.9171.9.3.1NA
120.0601gkzA0.6442.930.0420.8622.7.11.4,2.7.1.115NA
130.0602pnrB0.6452.970.0310.8812.7.11.2NA
140.0603no9A0.6803.380.0750.9734.2.1.223,33
150.0601k62B0.6712.960.0790.9174.3.2.19
160.0602ix6E0.6493.390.0280.9361.3.3.6NA
170.0601tj7A0.6443.240.1140.9274.3.2.19
180.0602ix6A0.6503.490.0280.9451.3.3.6NA
190.0603djlA0.6363.460.0640.8901.3.99.-NA
200.0602a06C0.5833.570.0560.9361.10.2.251,58
210.0602r0nA0.6423.650.0470.9451.3.99.795
220.0602jifA0.6353.490.0570.9271.3.99.-NA

(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
00.260.6192.880.060.841uruA GO:0005543 GO:0005737 GO:0005829 GO:0005886 GO:0006887 GO:0006897 GO:0006937 GO:0007269 GO:0008104 GO:0032154 GO:0042052 GO:0045202 GO:0045313 GO:0048488 GO:0098793
10.180.6052.780.050.844atmA GO:0005086 GO:0005543 GO:0005737 GO:0005802 GO:0005856 GO:0006897 GO:0007268 GO:0008021 GO:0015629 GO:0016020 GO:0030054 GO:0030672 GO:0031256 GO:0031410 GO:0043547 GO:0045202
20.140.6952.500.060.871i49A GO:0001726 GO:0005525 GO:0005737 GO:0005829 GO:0005886 GO:0005913 GO:0005938 GO:0006928 GO:0007264 GO:0019904 GO:0030032 GO:0030036 GO:0030742 GO:0031529 GO:0032588 GO:0034315 GO:0048365 GO:0070273 GO:0098609 GO:0098641
30.110.6383.230.070.924efcA GO:0000166 GO:0003824 GO:0004018 GO:0006163 GO:0006164 GO:0006188 GO:0006189 GO:0009152 GO:0016829 GO:0044208 GO:0046872 GO:0051262 GO:0070626
40.100.6583.790.051.001f1oA GO:0003824 GO:0004018 GO:0006164 GO:0006167 GO:0006189 GO:0009152 GO:0016829 GO:0044208 GO:0051262 GO:0070626
50.100.6712.850.090.923rrpA GO:0003824 GO:0004333 GO:0005737 GO:0006099 GO:0006106 GO:0016829 GO:0045239
60.100.6493.810.110.971yfeA GO:0003824 GO:0004333 GO:0005737 GO:0005829 GO:0006099 GO:0006106 GO:0006108 GO:0006979 GO:0008152 GO:0016829 GO:0045239 GO:0051262
70.090.6713.190.070.954eeiB GO:0000166 GO:0003824 GO:0004018 GO:0009152 GO:0016829 GO:0070626
80.090.6443.240.110.931tj7A GO:0003824 GO:0004056 GO:0005737 GO:0005829 GO:0006526 GO:0008652 GO:0016829 GO:0042450 GO:0051262
90.090.6293.460.130.912l10A GO:0001726 GO:0003779 GO:0005178 GO:0005200 GO:0005737 GO:0005815 GO:0005856 GO:0005886 GO:0005925 GO:0007016 GO:0007044 GO:0007155 GO:0009986 GO:0016020 GO:0017166 GO:0030054 GO:0030274 GO:0030866 GO:0032403 GO:0032587 GO:0042995 GO:0051015 GO:0070062 GO:0070527
100.080.6503.480.040.951dcnB GO:0003824 GO:0004056 GO:0005212 GO:0006526 GO:0008652 GO:0016829 GO:0042450
110.080.5862.940.030.842ficB GO:0005634 GO:0005737 GO:0006897 GO:0006997 GO:0007275 GO:0008283 GO:0015629 GO:0016020 GO:0016032 GO:0030018 GO:0030100 GO:0030154 GO:0030315 GO:0030424 GO:0031674 GO:0033268 GO:0042692 GO:0042802 GO:0043065 GO:0043194 GO:0045664 GO:0048156 GO:0048711 GO:0051015 GO:0060987 GO:0060988 GO:0070063 GO:0071156
120.070.6243.500.090.952x75A GO:0003824 GO:0004018 GO:0006164 GO:0006189 GO:0009152 GO:0016829 GO:0044208 GO:0070626
130.070.6503.370.110.915ic0A GO:0001726 GO:0003779 GO:0005178 GO:0005200 GO:0005737 GO:0005815 GO:0005856 GO:0005886 GO:0005925 GO:0007016 GO:0007044 GO:0007155 GO:0009986 GO:0016020 GO:0017166 GO:0030054 GO:0030274 GO:0030866 GO:0032403 GO:0032587 GO:0042995 GO:0051015 GO:0070062 GO:0070527
140.070.5493.020.080.812jswA GO:0001726 GO:0003779 GO:0005178 GO:0005200 GO:0005737 GO:0005815 GO:0005856 GO:0005886 GO:0005925 GO:0007016 GO:0007044 GO:0007155 GO:0009986 GO:0016020 GO:0017166 GO:0030054 GO:0030274 GO:0030866 GO:0032403 GO:0032587 GO:0042995 GO:0051015 GO:0070062 GO:0070527
150.070.6523.590.100.982fenD GO:0003824 GO:0016853 GO:0019619 GO:0047472
160.070.6023.280.080.863fyqA GO:0001726 GO:0003779 GO:0005158 GO:0005178 GO:0005200 GO:0005856 GO:0005925 GO:0006909 GO:0007016 GO:0007155 GO:0007298 GO:0007390 GO:0007430 GO:0007475 GO:0007526 GO:0008360 GO:0016203 GO:0033627 GO:0035160 GO:0045214 GO:0045892 GO:0051015 GO:0060439 GO:0086042
170.070.6583.660.070.971dofA GO:0003824 GO:0004018 GO:0006163 GO:0009152 GO:0016829 GO:0051262 GO:0070626
180.070.6253.600.110.893dyjA GO:0001726 GO:0003779 GO:0005178 GO:0005200 GO:0005737 GO:0005815 GO:0005856 GO:0005886 GO:0005925 GO:0007016 GO:0007044 GO:0007155 GO:0009986 GO:0016020 GO:0017166 GO:0030054 GO:0030274 GO:0030866 GO:0032403 GO:0032587 GO:0042995 GO:0051015 GO:0070062 GO:0070527
190.070.5923.210.060.841ya9A GO:0001523 GO:0001540 GO:0001937 GO:0002021 GO:0005319 GO:0005543 GO:0005576 GO:0005615 GO:0005634 GO:0005783 GO:0005794 GO:0005829 GO:0005886 GO:0006629 GO:0006641 GO:0006695 GO:0006707 GO:0006810 GO:0006869 GO:0006874 GO:0006898 GO:0006979 GO:0007186 GO:0007263 GO:0008104 GO:0008201 GO:0008203 GO:0008289 GO:0010468 GO:0010544 GO:0010873 GO:0010875 GO:0015485 GO:0015909 GO:0016020 GO:0016209 GO:0017038 GO:0017127 GO:0019068 GO:0019433 GO:0019934 GO:0030195 GO:0030516 GO:0030828 GO:0031012 GO:0031103 GO:0032374 GO:0032489 GO:0032805 GO:0033344 GO:0033700 GO:0034361 GO:0034362 GO:0034363 GO:0034364 GO:0034372 GO:0034374 GO:0034375 GO:0034380 GO:0034382 GO:0034384 GO:0034447 GO:0042157 GO:0042158 GO:0042159 GO:0042311 GO:0042627 GO:0042632 GO:0042802 GO:0042803 GO:0043407 GO:0043524 GO:0043537 GO:0043691 GO:0044794 GO:0045541 GO:0046889 GO:0046911 GO:0048156 GO:0048844 GO:0050728 GO:0050750 GO:0051000 GO:0051044 GO:0051055 GO:0051651 GO:0055088 GO:0055089 GO:0060228 GO:0060999 GO:0061000 GO:0070062 GO:0070326 GO:0071813 GO:0072358 GO:0072562 GO:0090370 GO:0097113 GO:0097114 GO:0098869 GO:1900221 GO:1901214 GO:1901215 GO:1901216 GO:1901627 GO:1901628 GO:1901630 GO:1901631 GO:1902004 GO:1902430 GO:1902947 GO:1902951 GO:1902952 GO:1902995 GO:1902998 GO:1902999 GO:1903001 GO:1903002 GO:1903561


Consensus prediction of GO terms
 
Molecular Function GO:0016842 GO:0005543 GO:0005085
GO-Score 0.40 0.39 0.35
Biological Processes GO:0033036 GO:0044091 GO:0001505 GO:0090257 GO:0036465 GO:0099643 GO:0042052 GO:0072583 GO:0099531 GO:0006936 GO:0006836 GO:0006167 GO:0051259 GO:0006188 GO:0043087 GO:0051345
GO-Score 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.40 0.40 0.40 0.35 0.35
Cellular Component GO:0097458 GO:0032155 GO:0097610 GO:0044456 GO:0005829 GO:0031252 GO:0005856 GO:0098791 GO:0099501 GO:0044459 GO:0070382
GO-Score 0.51 0.51 0.51 0.51 0.36 0.35 0.35 0.35 0.35 0.35 0.35

(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.