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I-TASSER results for job id Rv2298

[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 2 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
10.68 221 4q7bA NAP Rep, Mult 18,19,20,21,54,59,84,117,147,148,169,197,198,199,200,201,202,203,252,268,269,270,271,272,273,276,279,280
20.33 99 4yvvB GBM Rep, Mult 20,58,59,86,117,118,148,218
30.01 5 1ry8A RUT Rep, Mult 20,58,59,117,120,148,197,217,218
40.01 3 1pz0A NAP Rep, Mult 59,117,147,148,169,197,198,199,200,201,202,203,206,208,252
50.01 4 4exaB NAP Rep, Mult 21,198,200,268,269,270,271,272,276,280
60.01 3 2wzmA NA7 Rep, Mult 20,197,198,199,200,201,202,203,206,252,268,270,271,272,276,279,280
70.00 1 3n6qD MG Rep, Mult 31,66
80.00 1 1ynpB SUC Rep, Mult 3,51,78,79
90.00 1 3erpA NA Rep, Mult 84,117,147,148,169,197
100.00 2 3eb3A PDN Rep, Mult 8,9,143,163,164,165,166,190
110.00 1 3uzxB AOX Rep, Mult 20,59,117,217,218
120.00 2 1s2cA FLF Rep, Mult 2,3,4,14,260,264,265,285
130.00 1 2clpA CA Rep, Mult 228,231
140.00 1 1xjbA ACT Rep, Mult 2,13,14,15,49,51,285
150.00 1 3r8gA IZP Rep, Mult 58,59,117,148,197,312,319
160.00 1 1ynpB NA Rep, Mult 136,139,141,142

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
10.5583b3dA0.7302.190.2350.7961.-.-.-54,59,84,117
20.5491c9wA0.7522.660.2110.8391.1.1.21,1.1.1.254,59,84,117
30.5461vbjA0.7332.210.2370.7961.1.1.18854,59,84,117
40.5411zuaX0.7482.670.2160.8301.1.1.-54,59,84,117
50.5401k8cB0.7492.790.2010.8481.1.1.2154,59,84,117
60.5392bgsA0.7312.330.1960.8051.1.1.2154,59,84,117
70.5383h7rA0.7262.740.2020.8141.1.1.-54,59,84,117
80.5302fvlA0.7542.620.2000.8391.1.1.225,1.1.1.5054,59,84,117
90.5161vp5A0.7262.320.2440.7961.1.1.27454,59,84,117
100.5111ry0A0.7562.730.2030.8421.1.1.213,1.1.1.64,1.1.1.188,1.3.1.2054,59,84,117
110.4823krbA0.7202.790.2310.8111.1.1.2154,59,84,117
120.4581pyfA0.8612.050.3010.9261.1.1.-11,49,51,80
130.3122c91A0.7783.090.2400.8981.-.-.-200,278,282
140.3021q5mA0.7542.640.1920.8391.1.1.149,1.1.1.189117,183,198,200
150.2712clpA0.7822.930.2280.8921.-.-.-200,273,278
160.2533dopB0.7632.520.2230.8421.3.1.3NA
170.2032p5nA0.7462.830.2170.8391.1.1.-54,59,84,117
180.2003h7uA0.7412.600.2280.8271.1.1.-54,59,84,117
190.1871a80A0.7312.290.2100.8021.1.1.27454,59,84,117
200.1563fx4A0.7522.650.2040.8391.1.1.254,59,84,117
210.1511mzrB0.7312.240.2130.7961.1.1.27454,59,84,117
220.1451afsA0.7482.760.1890.8391.1.1.213,1.1.1.5054,59,84,117
230.1451ah0A0.7482.750.2140.8391.1.1.2154,59,84,117
240.1441q13A0.7532.660.1920.8391.1.1.189,1.1.1.14954,59,84,117
250.1261xjbA0.7483.020.2010.8551.3.1.20,1.1.1.21354,59,84,117
260.0992yw3E0.4992.960.1050.5854.1.2.14NA
270.0672cz5A0.5092.730.1110.5854.1.1.23NA
280.0603burA0.7612.530.2270.8421.3.1.354,59,84
290.0601gveB0.7622.830.2220.8611.-.-.-18,79
300.0601gveA0.7773.090.2170.8951.-.-.-200,273,275,278,282
310.0601c7sA0.6214.300.0660.8053.2.1.5256,57
320.0601og6C0.7752.520.2410.8611.-.-.-18,59,198,200,253
330.0601el3A0.7512.520.2230.8271.1.1.2183,116
340.0601r8lB0.6234.060.0740.7893.2.1.89NA
350.0602gftB0.6234.050.0740.7893.2.1.89NA
360.0601cz1A0.6334.360.1010.8393.2.1.58149
370.0603f7jA0.7282.260.2570.7961.1.1.28359,117,200,203

(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
00.540.9341.110.270.963n2tA GO:0016491 GO:0055114
10.500.8072.070.250.873erpA
20.480.7842.260.260.864astD GO:0006974 GO:0009438 GO:0016491 GO:0016616 GO:0055114
30.480.7792.400.310.854wghA GO:0016491 GO:0055114
40.460.8612.390.270.941pz1A GO:0016491 GO:0055114
50.440.8612.050.300.931pyfA GO:0016491 GO:0055114
60.440.7522.650.200.843fx4A GO:0008106 GO:0016491 GO:0055114
70.410.8342.480.260.923eauA GO:0004033 GO:0005244 GO:0005249 GO:0005737 GO:0005829 GO:0005856 GO:0005874 GO:0005886 GO:0006810 GO:0006811 GO:0006813 GO:0015459 GO:0016020 GO:0016021 GO:0016491 GO:0030054 GO:0030424 GO:0031234 GO:0034705 GO:0034765 GO:0042995 GO:0043005 GO:0044224 GO:0044325 GO:0045202 GO:0045445 GO:0051291 GO:0055114 GO:0070995 GO:0071805 GO:1901379 GO:1990031 GO:2000008
80.410.7632.380.330.845c7hA GO:0000166 GO:0016491 GO:0055114
90.400.7622.830.220.861gveB GO:0004032 GO:0004033 GO:0005737 GO:0009636 GO:0016491 GO:0046222 GO:0046223 GO:0055114
100.400.7272.310.230.803wbwA GO:0000166 GO:0016491 GO:0055114
110.400.8162.640.250.904aubB GO:0006974 GO:0009438 GO:0016491 GO:0016616 GO:0055114
120.400.7302.420.230.814gieA GO:0000166 GO:0001516 GO:0005737 GO:0006629 GO:0006631 GO:0006633 GO:0006693 GO:0016491 GO:0036131 GO:0047017 GO:0055114
130.390.7332.210.240.801vbjA GO:0000166 GO:0001516 GO:0004033 GO:0005737 GO:0006629 GO:0006631 GO:0006633 GO:0006693 GO:0016491 GO:0019571 GO:0036131 GO:0045290 GO:0047017 GO:0055114
140.390.7482.570.220.821qwkA GO:0016491 GO:0055114
150.390.7641.930.280.813v0uA GO:0009820 GO:0016491 GO:0055114
160.390.8052.990.270.914xk2A GO:0016491 GO:0055114
170.390.7752.520.240.861og6C GO:0005829 GO:0016491 GO:0055114
180.390.8252.370.260.911lqaA GO:0004033 GO:0005829 GO:0016491 GO:0034198 GO:0055114
190.380.7522.660.210.841c9wA GO:0004032 GO:0005737 GO:0016491 GO:0055114
200.380.7433.000.210.854h8nA GO:0004033 GO:0016491 GO:0042180 GO:0047011 GO:0055114
210.380.7872.480.260.861ynpB GO:0016491 GO:0055114
220.370.7822.930.230.892clpA GO:0004033 GO:0005737 GO:0005829 GO:0006081 GO:0006805 GO:0009055 GO:0016491 GO:0055114 GO:0070062
230.370.7282.260.260.803f7jA GO:0016491 GO:0043892 GO:0055114
240.370.7482.750.210.841ah0A GO:0004032 GO:0005737 GO:0016491 GO:0055114
250.370.7532.570.220.833o3rA GO:0004032 GO:0004033 GO:0005737 GO:0005739 GO:0016491 GO:0055114
260.370.7792.320.260.843uyiA GO:0009820 GO:0016491 GO:0055114
270.360.7783.090.240.902c91A GO:0005737 GO:0005739 GO:0005794 GO:0016491 GO:0016616 GO:0019119 GO:0044597 GO:0044598 GO:0055114 GO:0070062
280.360.7412.600.230.833h7uA GO:0004033 GO:0008106 GO:0009409 GO:0009414 GO:0009507 GO:0009636 GO:0009651 GO:0016229 GO:0016491 GO:0055114 GO:0070401
290.360.7262.740.200.813h7rA GO:0004033 GO:0005829 GO:0009409 GO:0009414 GO:0009636 GO:0009651 GO:0016229 GO:0016491 GO:0046686 GO:0055114 GO:0070401
300.360.7312.730.240.821zgdA GO:0000166 GO:0016491 GO:0055114
310.350.7552.520.200.843wg6A GO:0016491 GO:0042180 GO:0047011 GO:0055114
320.350.7272.380.240.804mhbA GO:0016491 GO:0055114
330.350.7332.290.240.804q3mA GO:0016491 GO:0055114
340.350.6472.720.280.724exaF GO:0000166
350.350.7312.330.200.812bgsA GO:0004032 GO:0016491 GO:0055114
360.350.7492.790.200.851k8cB GO:0005975 GO:0016491 GO:0042732 GO:0042843 GO:0055114
370.350.7612.530.230.843burA GO:0004033 GO:0005496 GO:0005737 GO:0005829 GO:0006629 GO:0006699 GO:0006707 GO:0007586 GO:0008202 GO:0008207 GO:0008209 GO:0016042 GO:0016491 GO:0030573 GO:0047787 GO:0055114 GO:0070062
380.340.7262.320.240.801vp5A GO:0000166 GO:0016491 GO:0055114
390.340.7463.040.210.853wczA GO:0006629 GO:0008202 GO:0016491 GO:0055114
400.340.7422.230.220.803up8A GO:0016491 GO:0050580 GO:0055114
410.340.7292.240.250.804otkA GO:0005618 GO:0005886 GO:0016491 GO:0040007 GO:0055114
420.330.7532.660.190.841q13A GO:0001516 GO:0005737 GO:0006629 GO:0006631 GO:0006633 GO:0006693 GO:0016491 GO:0047006 GO:0050221 GO:0055114
430.330.7352.170.240.804g5dA GO:0000166 GO:0001516 GO:0005737 GO:0006629 GO:0006631 GO:0006633 GO:0006693 GO:0016491 GO:0036131 GO:0047017 GO:0055114
440.330.7202.790.230.813krbA GO:0000166 GO:0004032 GO:0016491 GO:0055114
450.330.7542.620.200.842fvlA GO:0001523 GO:0001758 GO:0004033 GO:0005737 GO:0005829 GO:0006699 GO:0008202 GO:0008209 GO:0009055 GO:0015125 GO:0015721 GO:0016491 GO:0016655 GO:0044597 GO:0044598 GO:0047023 GO:0047743 GO:0055114 GO:0070062 GO:0071395
460.330.7773.090.220.891gveA GO:0004032 GO:0004033 GO:0005737 GO:0009636 GO:0016491 GO:0046222 GO:0046223 GO:0055114
470.330.7212.410.230.802wzmA GO:0016491 GO:0055114
480.330.7652.460.240.854r9oC GO:0016491 GO:0055114
490.320.7622.700.200.855az1A GO:0016491 GO:0055114
500.320.7312.240.210.801mzrB GO:0005737 GO:0005829 GO:0008106 GO:0016491 GO:0016616 GO:0019853 GO:0050580 GO:0051596 GO:0055114
510.320.7522.680.210.844l1wA GO:0004032 GO:0005737 GO:0006629 GO:0006693 GO:0007186 GO:0007586 GO:0008202 GO:0008284 GO:0016491 GO:0016655 GO:0018636 GO:0030855 GO:0031406 GO:0032052 GO:0042448 GO:0044597 GO:0044598 GO:0047086 GO:0047115 GO:0051897 GO:0055114 GO:0071395 GO:0071799
520.310.7482.760.190.841afsA GO:0005737 GO:0008202 GO:0016229 GO:0016491 GO:0021766 GO:0047023 GO:0047042 GO:0055114
530.310.7502.730.210.843cv6A GO:0004032 GO:0004033 GO:0005737 GO:0005829 GO:0006629 GO:0006694 GO:0008202 GO:0016491 GO:0016655 GO:0018636 GO:0031406 GO:0032052 GO:0033764 GO:0047023 GO:0047042 GO:0047086 GO:0047115 GO:0055114 GO:0070062
540.310.7332.050.250.794hbkA GO:0004032 GO:0016491 GO:0055114
550.300.7212.080.260.783o0kA GO:0016491 GO:0055114
560.280.7552.640.200.844zfcB GO:0000060 GO:0001523 GO:0001758 GO:0004032 GO:0004033 GO:0004745 GO:0005622 GO:0005634 GO:0005737 GO:0005829 GO:0006693 GO:0007186 GO:0007584 GO:0008202 GO:0008284 GO:0008584 GO:0009267 GO:0010942 GO:0016488 GO:0016491 GO:0016655 GO:0018636 GO:0019371 GO:0030216 GO:0034614 GO:0035410 GO:0036130 GO:0036131 GO:0042448 GO:0042572 GO:0042574 GO:0044259 GO:0044597 GO:0044598 GO:0045550 GO:0045703 GO:0047017 GO:0047020 GO:0047023 GO:0047035 GO:0047045 GO:0047086 GO:0047115 GO:0047718 GO:0047787 GO:0048385 GO:0051897 GO:0052650 GO:0055114 GO:0061370 GO:0070062 GO:0070293 GO:0071276 GO:0071277 GO:0071379 GO:0071384 GO:0071395 GO:0071799 GO:1900053 GO:2000224 GO:2000353 GO:2000379
570.270.7482.750.210.843rx2A GO:0001894 GO:0004032 GO:0004033 GO:0005615 GO:0005654 GO:0005737 GO:0005829 GO:0005975 GO:0005996 GO:0006061 GO:0006700 GO:0006950 GO:0009055 GO:0009414 GO:0010033 GO:0016491 GO:0018931 GO:0031098 GO:0032838 GO:0033010 GO:0042415 GO:0042629 GO:0043220 GO:0043795 GO:0044597 GO:0044598 GO:0046370 GO:0046427 GO:0048471 GO:0048661 GO:0055114 GO:0060135 GO:0070062 GO:0070301 GO:0072061 GO:0097066 GO:0097238 GO:0097454 GO:1901653
580.240.7462.780.200.844gq0A GO:0001523 GO:0001758 GO:0004033 GO:0005576 GO:0005764 GO:0005829 GO:0006081 GO:0007586 GO:0008202 GO:0016488 GO:0016491 GO:0044597 GO:0044598 GO:0045550 GO:0047718 GO:0055114 GO:0070062
590.190.7182.560.200.804ijcA GO:0005737 GO:0005829 GO:0016491 GO:0044262 GO:0045290 GO:0055114
600.150.7302.190.230.803b3dA GO:0016491 GO:0055114


Consensus prediction of GO terms
 
Molecular Function GO:0016616
GO-Score 0.48
Biological Processes GO:0055114 GO:0006974 GO:0009438
GO-Score 0.93 0.48 0.48
Cellular Component
GO-Score

(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.