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I-TASSER results for job id Rv3312c

[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
10.29 66 1a8uA BEZ Rep, Mult 46,47,111,112,113,139,231,259,285
20.12 32 3f9cA DFP Rep, Mult 46,47,111,112,113,285,286
30.07 22 2wj6C ZZ8 Rep, Mult 47,49,111,112,113,194,224,227,231,285
40.04 11 4etwA ZMK Rep, Mult 46,47,112,113,157,158,161,176,189,194,196,228,231,259,285
50.03 10 2cjpB VPR Rep, Mult 47,112,157,176,186,258,285,286
60.02 6 4o08A PO6 Rep, Mult 47,48,176,177,284,285
70.01 2 2psjB CEI Rep, Mult 144,150,153,162,168,169,177,260,261,285
80.01 3 1cijA BR Rep, Mult 47,113,169,172,219,220,223
90.01 2 1ukbA BEZ Rep, Mult 55,191,194,203,286
100.01 2 1xqyA III Rep, Mult 184,187,188,191,203,211,220
110.01 2 2xuaH SHF Rep, Mult 46,47,160,176,179,180,216,224,259
120.01 2 2o2hA DCE Rep, Mult 147,148,258,259,285
130.01 4 1y37A MG Rep, Mult 85,86,87,90,227,230,235
140.01 2 3v1nA HPK Rep, Mult 45,46,51,52,55,56,195,203,208,212,286,289
150.01 2 1b6gA GOL Rep, Mult 25,80
160.00 1 1xrmA III Rep, Mult 209,212
170.00 1 1b6gA GOL Rep, Mult 6,7,10
180.00 1 1cijA BR Rep, Mult 182,184,204,213
190.00 1 1xrrA PRO Rep, Mult 187,191,220,226,227
200.00 1 2ocgA MN Rep, Mult 29,51,72,78

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
10.4051zoiA0.8461.470.1760.8863.1.1.-112,257,285
20.3991a8qA0.8281.680.1960.8771.11.1.10112,257,285
30.3481a8sA0.8311.650.1990.8801.11.1.10112,257
40.3161mt3A0.7353.600.1380.8643.4.11.5257,285
50.3121dwoA0.6353.440.1040.7564.1.2.37112,257,285
60.3093e3aB0.7702.510.1570.8671.11.1.-29,46,51,72
70.2941a88B0.8431.540.1940.8861.11.1.10NA
80.2812ocgA0.7052.310.1710.7793.1.-.-112,257,260,277,285
90.2651va4A0.8251.660.2120.8733.1.1.2112
100.2471mj5A0.7373.040.1420.8673.8.1.5285
110.2062r11D0.7083.330.1380.8383.1.1.175
120.2032og1A0.7742.700.1830.8803.7.1.8NA
130.1761u2eA0.7762.980.1590.8933.7.1.-112,257,285
140.1431ehyA0.7463.160.1640.8733.3.2.10229,257,285
150.1323hjuA0.7053.410.1500.8283.1.1.2377,112
160.1123bf7A0.6563.310.1310.7693.1.-.-112
170.0971qj4A0.6353.450.1020.7564.1.2.37112,257,285
180.0671i6wB0.4642.660.1270.5233.1.1.3257
190.0601a7uA0.8112.170.1740.8771.11.1.10112,257,285
200.0602psfA0.7563.140.1240.8931.13.12.5285
210.0602zjfA0.7723.670.1550.9293.3.2.3293,300
220.0601j1iA0.7212.470.1810.8083.7.1.854,112,260
230.0602vavB0.7413.360.1210.8862.3.1.175112,190
240.0602pu5A0.7742.700.1830.8803.7.1.830
250.0601c4xA0.7522.700.1620.8573.7.1.8112
260.0601iunB0.7492.790.1670.8573.7.1.9257
270.0601y37A0.7563.080.1530.8933.8.1.376
280.0601azwA0.7223.490.1600.8733.4.11.5NA
290.0602vf2A0.7633.050.1720.8863.7.1.848,75,77
300.0601m33A0.7242.520.1510.8153.1.1.1NA
310.0602qvbB0.7343.270.1300.8773.8.1.5285
320.0602v9zA0.7333.470.1710.8933.8.1.5NA
330.0602e3jA0.7743.630.1550.9293.3.2.3NA
340.0602pl5A0.7383.520.1080.8772.3.1.31112,257,285
350.0601qtrA0.7243.320.1650.8643.4.11.5257,285
360.0601a88A0.8431.540.1940.8861.11.1.10112,257
370.0603a2lA0.7313.200.1260.8733.8.1.5NA

(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
00.410.8202.170.170.894qesA GO:0003723 GO:0003824 GO:0004601 GO:0005198 GO:0005576 GO:0005654 GO:0005829 GO:0005886 GO:0016020 GO:0016032 GO:0016491 GO:0017000 GO:0019012 GO:0019061 GO:0019062 GO:0019064 GO:0019065 GO:0019068 GO:0019070 GO:0019072 GO:0019076 GO:0019083 GO:0030666 GO:0030683 GO:0031904 GO:0039573 GO:0039660 GO:0042025 GO:0046761 GO:0055036 GO:0055114 GO:0075733 GO:0098869
10.380.8281.680.200.881a8qA GO:0003824 GO:0004601 GO:0016491 GO:0017000 GO:0055114 GO:0098869
20.340.7053.410.150.833hjuA GO:0004622 GO:0005654 GO:0005737 GO:0005789 GO:0005829 GO:0005886 GO:0006629 GO:0006631 GO:0006633 GO:0006954 GO:0009966 GO:0016020 GO:0016042 GO:0016787 GO:0019369 GO:0019433 GO:0019898 GO:0036155 GO:0042803 GO:0046464 GO:0047372 GO:0050727 GO:0051930 GO:0052689 GO:2000124
30.340.7552.170.140.834ih4A GO:0005634 GO:0005737 GO:0010223 GO:0016787 GO:1901601 GO:1902348
40.330.7522.700.160.861c4xA GO:0016787 GO:0018774
50.330.7492.790.170.861iunB GO:0003824 GO:0016787
60.330.6563.310.130.773bf7A GO:0005829 GO:0016787 GO:0016790 GO:0052689
70.320.7682.900.170.874rncA GO:0016787 GO:0052689
80.320.8441.670.170.894dgqA GO:0004601 GO:0016491 GO:0016691 GO:0055114 GO:0098869
90.310.7422.580.130.833v48A GO:0006212 GO:0016787 GO:0016811 GO:0019740
100.310.7503.110.140.895esrA GO:0003824 GO:0016787 GO:0018786
110.310.6413.770.140.781y7iB GO:0002376 GO:0006952 GO:0008152 GO:0009862 GO:0016298 GO:0016787 GO:0045087 GO:0080031
120.310.7253.100.160.854g8bA GO:0003824 GO:0016787 GO:0016788
130.310.7413.280.170.894kajA GO:0003824 GO:0009636 GO:0016787 GO:0018786
140.310.7612.670.190.864x00A GO:0016787
150.300.6823.450.160.813qitB GO:0003824 GO:0008152 GO:0016740 GO:0031177
160.300.7463.230.130.895bovB GO:0003824 GO:0016787
170.300.7482.740.150.844ns4A GO:0016787 GO:0016788
180.300.7332.560.140.831m33A GO:0005737 GO:0009102 GO:0016787 GO:0052689 GO:0090499
190.290.7553.090.140.884b9aA GO:0003824 GO:0009062 GO:0016298 GO:0016787
200.290.8122.160.210.883fobA GO:0003824 GO:0004601 GO:0009636 GO:0016491 GO:0016691 GO:0016787 GO:0019806 GO:0055114 GO:0098869
210.290.8431.540.190.891a88A GO:0003824 GO:0004601 GO:0016491 GO:0016691 GO:0055114 GO:0098869
220.290.7603.070.150.903b12A GO:0003824 GO:0016787 GO:0018785
230.280.7073.500.150.842yysA GO:0006508 GO:0008233
240.280.7592.280.160.834dnqI GO:0010223 GO:0016787 GO:0016788 GO:1901601
250.280.7632.180.150.842xuaH GO:0016787 GO:0042952 GO:0047570
260.280.8251.660.210.873heaA GO:0003824 GO:0004064 GO:0004601 GO:0016491 GO:0016787 GO:0055114 GO:0098869
270.280.7373.230.150.874pw0A GO:0016787
280.270.8082.180.170.881hkhA GO:0003824 GO:0004601 GO:0098869
290.260.7513.080.170.893u1tB GO:0003824
300.260.7702.510.160.873e3aB GO:0003824 GO:0004601 GO:0009062 GO:0016298 GO:0016491 GO:0055114 GO:0098869
310.260.8461.470.180.891zoiA
320.260.7633.050.170.892vf2A GO:0005618 GO:0005886 GO:0006629 GO:0006694 GO:0016042 GO:0016787 GO:0018774 GO:0019439 GO:0034820 GO:0044117 GO:0102296
330.250.7353.600.140.861mt3A GO:0004177 GO:0006508 GO:0008233 GO:0016787
340.250.7743.440.150.934haiA GO:0000287 GO:0003824 GO:0004301 GO:0005102 GO:0005737 GO:0005777 GO:0005829 GO:0006629 GO:0006805 GO:0006874 GO:0006954 GO:0008152 GO:0008217 GO:0009636 GO:0010628 GO:0015643 GO:0016311 GO:0016787 GO:0016791 GO:0017144 GO:0019373 GO:0019439 GO:0033885 GO:0042577 GO:0042632 GO:0042803 GO:0045909 GO:0046272 GO:0046839 GO:0046872 GO:0070062 GO:0072593 GO:0090181
350.250.7543.280.130.894psuA GO:0016787
360.240.7262.660.150.824nmwA GO:0005737 GO:0009102 GO:0016787 GO:0052689
370.240.7732.870.170.884f0jA GO:0003824 GO:0016787
380.240.7222.770.180.833kxpA GO:0016787 GO:0042803 GO:0042820 GO:0047411
390.240.6903.500.160.823p2mA GO:0052689
400.240.7513.020.150.874ccyB GO:0005737 GO:0016787 GO:0052689
410.230.5342.890.170.614fhzA GO:0016787
420.220.7612.540.170.851womA GO:0016787
430.220.7323.350.120.872r11D GO:0016787 GO:0052689
440.220.6433.120.140.752wtmA
450.220.7343.260.120.883afiB GO:0003824 GO:0016787 GO:0018786 GO:0042206 GO:0042802
460.210.7683.530.160.924ufoA GO:0003824 GO:0016787
470.210.7383.400.180.903sk0A GO:0003824 GO:0009636 GO:0016787 GO:0018786
480.210.7613.660.140.925aljA GO:0000287 GO:0003824 GO:0004301 GO:0005102 GO:0005737 GO:0005777 GO:0005829 GO:0006629 GO:0006805 GO:0006874 GO:0006954 GO:0008152 GO:0008217 GO:0009636 GO:0010628 GO:0015643 GO:0016311 GO:0016787 GO:0016791 GO:0017144 GO:0019373 GO:0019439 GO:0033885 GO:0042577 GO:0042632 GO:0042803 GO:0045909 GO:0046272 GO:0046839 GO:0046872 GO:0070062 GO:0072593 GO:0090181
490.210.8311.650.200.881a8sA GO:0003824 GO:0004601 GO:0016491 GO:0016691 GO:0055114 GO:0098869
500.200.6093.290.120.725hk8A GO:0005737 GO:0005829 GO:0010150 GO:0015996 GO:0016787 GO:0016788 GO:0033310 GO:0035560 GO:0042803 GO:0052689 GO:0070988 GO:0080030 GO:0080032
510.200.7723.280.130.914opmA GO:0004806 GO:0016787
520.190.7313.110.160.874k2aC GO:0003824 GO:0016787 GO:0018786
530.190.7212.470.180.811j1iA GO:0016787
540.160.7762.980.160.891u2eA GO:0003824 GO:0005737 GO:0016787 GO:0018771 GO:0019380 GO:0019439 GO:0019622 GO:0042803 GO:0052823
550.160.7353.190.140.872wm2C GO:0016491 GO:0016702 GO:0019439 GO:0050586 GO:0051213 GO:0055114
560.160.7552.900.130.873qyjA GO:0003824
570.160.7742.700.180.882og1A GO:0003824 GO:0016787 GO:0016823 GO:0018771 GO:0018774 GO:0019439
580.160.7743.630.150.932e3jA GO:0003824 GO:0016787
590.150.7492.880.150.864i3fA GO:0016787
600.150.7662.410.180.853om8B GO:0016787 GO:0042952 GO:0047570
610.150.7623.260.120.903vvlB GO:0004414 GO:0005737 GO:0008652 GO:0009001 GO:0009086 GO:0016740 GO:0016746 GO:0017000
620.140.7473.040.100.874io0A GO:0003824 GO:0008152 GO:0016787 GO:0016798 GO:0047405
630.140.7403.090.180.882xt0A GO:0003824
640.140.7353.480.130.873wmrA GO:0006508 GO:0008233 GO:0016787
650.130.7503.330.150.901be0A GO:0003824 GO:0009636 GO:0016787 GO:0018786 GO:0019260
660.130.7223.490.160.871azwA GO:0004177 GO:0005737 GO:0006508 GO:0008233 GO:0016787
670.130.7243.320.170.861qtrA GO:0004177 GO:0005737 GO:0006508 GO:0008233 GO:0016787
680.100.6303.610.110.762wfmA GO:0009820 GO:0016787 GO:0050529 GO:0052689
690.090.5522.520.150.623trdA GO:0016787
700.070.7683.610.150.931cqzB GO:0000287 GO:0003824 GO:0004301 GO:0005102 GO:0005737 GO:0005777 GO:0005829 GO:0006629 GO:0008152 GO:0009636 GO:0010628 GO:0015643 GO:0016311 GO:0016787 GO:0016791 GO:0019439 GO:0033885 GO:0042577 GO:0042632 GO:0042803 GO:0046272 GO:0046839 GO:0046872 GO:0070062 GO:0090181
710.070.4873.070.120.573og9A GO:0016787


Consensus prediction of GO terms
 
Molecular Function GO:0004601 GO:0003723 GO:0039660 GO:0042803 GO:0004622 GO:0047372 GO:0018774
GO-Score 0.64 0.41 0.41 0.34 0.34 0.34 0.33
Biological Processes GO:0098869 GO:0055114 GO:0017000 GO:0019061 GO:0019070 GO:0019083 GO:0046761 GO:0019062 GO:0019064 GO:0019072 GO:0075733 GO:0039573 GO:0019065 GO:0006633 GO:0051930 GO:0019369 GO:0019433 GO:0036155 GO:2000124 GO:1902348 GO:0010223 GO:1901601
GO-Score 0.64 0.64 0.64 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
Cellular Component GO:0005654 GO:0005829 GO:0005886 GO:0005576 GO:0055036 GO:0030666 GO:0031904 GO:0042025 GO:0019898 GO:0005789
GO-Score 0.61 0.61 0.61 0.41 0.41 0.41 0.41 0.41 0.34 0.34

(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.