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I-TASSER results for job id Rv2257c

[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 1 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
10.65 224 3o88A BSH Rep, Mult 39,40,43,84,85,99,101,147,228,229,230
20.06 24 1ikiA DAL Rep, Mult 40,99,205,226,227,228,229
30.01 3 2hdsA 4MB Rep, Mult 85,97,99,201,202,204
40.01 3 3gtcB GTC Rep, Mult 40,85,86,229,230,251
50.01 3 2hdsA 4MB Rep, Mult 73,74,94,185,211,212,213,214,215
60.01 4 2hduA F12 Rep, Mult 147,229,230,251
70.01 3 2hdrB 4A3 Rep, Mult 89,90,91,92
80.00 1 3gv9A GV9 Rep, Mult 151,152,153,156,247
90.00 1 3grjA G14 Rep, Mult 115,116,117
100.00 1 2hdrA 4A3 Rep, Mult 140,141
110.00 1 2hduA F12 Rep, Mult 48,51,52,55
120.00 1 2hdqA C21 Rep, Mult 208,209,210
130.00 2 3gtcB GTC Rep, Mult 68,106,110,113
140.00 1 2hdrA 4A3 Rep, Mult 165,166,167,220
150.00 1 2hdqA C21 Rep, Mult 163,164,166,182,218,220,238
160.00 2 4e3mA 0ND Rep, Mult 61,176,179,180,183,192,215
170.00 2 2hdqB C21 Rep, Mult 20,23,25,157,158,161
180.00 2 4e3lB 0NB Rep, Mult 176,179,180,183,214,215,217
190.00 1 2hdqB C21 Rep, Mult 11,13
200.00 2 2qmiH DO3 Rep, Mult 61,62,73,202

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
10.2541skfA0.6403.800.1460.7983.4.16.4146,249
20.2471djaA0.6663.380.1500.8093.5.2.640,100
30.1802bcfA0.6213.800.1690.7833.4.16.440,45,156
40.1402qz6A0.8182.600.2030.9303.5.2.640,43,99
50.1271zkjA0.8162.690.2020.9343.5.2.640,43,99
60.1191g68A0.7103.010.1470.8273.5.2.6NA
70.1162qmiA0.8252.580.2620.9343.5.2.640,43,99,101,226
80.1111hzoA0.6893.230.1880.8243.5.2.6NA
90.1113cg5A0.6783.450.1500.8273.5.2.6NA
100.1103bydA0.6883.220.1790.8203.5.2.640,43,100
110.1081iysA0.6893.190.1880.8203.5.2.637,137,139
120.1002v1zA0.7082.880.1730.8203.5.2.640,43,100
130.0971bueA0.6803.390.1420.8243.5.2.640,43
140.0842j9oD0.6963.070.1470.8203.4.16.440,100,150
150.0812rl3B0.6213.610.1020.7793.5.2.640
160.0801eqsA0.6413.880.1460.8013.4.16.4146
170.0792jc7A0.6173.510.0990.7683.5.2.640
180.0601mfoA0.6853.230.1980.8163.5.2.640,43,100
190.0603lezA0.6713.380.1580.8163.5.2.637,100,101,139
200.0603a3iA0.6743.630.1070.8383.4.16.440,100
210.0603c4pA0.7003.030.1860.8243.5.2.6137,139
220.0601iyqA0.6873.150.1790.8163.5.2.640,43,100,144
230.0601dy6A0.6863.290.1470.8273.5.2.6NA
240.0602ex2A0.6783.500.0830.8243.4.16.440
250.0601ei5A0.7792.870.1860.9013.4.11.1940,43,99,101,226
260.0603bfdA0.6903.190.1660.8203.5.2.6NA
270.0601c3bA0.8212.660.2180.9343.5.2.640,43,205
280.0601bsgA0.6793.290.1650.8203.5.2.640,43,138
290.0601n4oB0.7002.990.1420.8203.5.2.6100
300.0601yljA0.6893.200.1660.8203.5.2.640,43,100
310.0602j9pA0.7003.440.1150.8463.4.16.440
320.0602blmA0.6713.300.1360.8093.5.2.640,43,100
330.0602e8iA0.8392.680.1800.9603.5.1.46123
340.0601cefA0.8102.700.2180.9263.4.16.4131
350.0601ga0A0.8162.660.2050.9343.5.2.640,43,99

(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
00.440.8122.570.230.924y7pA GO:0004180 GO:0006508
10.420.8162.360.200.914gdnA GO:0005886 GO:0016020 GO:0016021
20.350.8102.700.220.931cefA GO:0004180 GO:0005576 GO:0006508 GO:0008233 GO:0008360 GO:0009002 GO:0009252 GO:0016787 GO:0071555
30.350.8012.520.210.913ixgA GO:0008800 GO:0016787 GO:0017001 GO:0030288 GO:0042597 GO:0046677
40.340.8022.640.180.925eviB GO:0008800 GO:0016787 GO:0017001 GO:0030288 GO:0046677
50.340.6853.150.180.815e2eA GO:0008800 GO:0016787 GO:0030655 GO:0046677
60.330.8102.640.200.933o3vA GO:0008800 GO:0016020 GO:0016021 GO:0016787 GO:0017001 GO:0030288 GO:0046677
70.320.8022.740.200.924e6xA GO:0008800 GO:0016020 GO:0016021 GO:0016787 GO:0017001 GO:0030288 GO:0046677
80.300.8202.560.230.935e2hA GO:0008800 GO:0016787 GO:0017001 GO:0030288 GO:0046677
90.290.6923.220.180.834yfmA GO:0008800 GO:0016787 GO:0030655 GO:0046677
100.270.6883.220.180.823bydA GO:0008800 GO:0016787 GO:0030655 GO:0046677
110.260.6663.380.150.811djaA GO:0008800 GO:0016787 GO:0030655 GO:0046677
120.250.6893.180.190.824bd0A GO:0008800 GO:0016787 GO:0030655 GO:0046677
130.240.6793.360.170.825ihvA GO:0008800 GO:0016787 GO:0030655 GO:0046677
140.240.8202.800.170.944gb7A GO:0016054 GO:0016787 GO:0019875
150.240.6783.500.080.822ex2A GO:0000270 GO:0004175 GO:0004180 GO:0004185 GO:0006508 GO:0007049 GO:0008360 GO:0008658 GO:0009002 GO:0009252 GO:0009253 GO:0009254 GO:0016787 GO:0016998 GO:0030288 GO:0042597 GO:0043093 GO:0046677 GO:0051301 GO:0071555
160.240.6863.290.150.831dy6A GO:0008800 GO:0016787 GO:0030655 GO:0046677
170.230.6783.140.170.815hx9A GO:0008800 GO:0016787 GO:0030655 GO:0046677
180.220.6923.090.170.823w4oA GO:0008800 GO:0016787 GO:0030655 GO:0046677
190.220.6783.260.140.813qhyA GO:0008800 GO:0016787 GO:0017001 GO:0030655 GO:0046677
200.220.6873.200.160.823hlwA GO:0008800 GO:0016787 GO:0030655 GO:0046677
210.220.6943.100.150.823v3sA GO:0008800 GO:0016787 GO:0030655 GO:0046677
220.210.8782.570.220.993hlfA GO:0016740 GO:0016746 GO:0016787 GO:0017000 GO:0030639 GO:0050832
230.200.6793.290.170.821bsgA GO:0008800 GO:0016787 GO:0030655 GO:0046677
240.200.8622.450.260.961ci8A GO:0005737 GO:0016787
250.200.8682.310.250.974iviA GO:0016787 GO:0052689
260.190.6763.030.110.813a3eB GO:0004185 GO:0006508
270.170.8252.580.260.932qmiA
280.160.6903.190.170.823bfdA GO:0008800 GO:0016787 GO:0030655 GO:0046677
290.160.6983.360.180.832a3uA GO:0008800 GO:0016787 GO:0030655 GO:0046677
300.150.6843.240.200.822cc1A GO:0008800 GO:0016787 GO:0030655 GO:0046677
310.140.6873.210.170.824hbtA GO:0008800 GO:0016787 GO:0030655 GO:0046677
320.140.6933.180.180.825hw3A GO:0008800 GO:0016787 GO:0030655 GO:0046677
330.130.6833.220.170.823w4qA GO:0008800 GO:0016787 GO:0030655 GO:0046677
340.120.7082.870.170.824id4A GO:0008800 GO:0016787 GO:0030655 GO:0046677
350.120.7103.010.150.831g68A GO:0008800 GO:0016787 GO:0030655 GO:0046677
360.120.7083.070.140.834d2oB GO:0008800 GO:0016787 GO:0030655 GO:0046677
370.120.6732.900.100.793cjmA GO:0016020 GO:0016021
380.110.6893.230.190.821hzoA GO:0008800 GO:0016787 GO:0030655 GO:0046677
390.110.7053.020.140.821e25A GO:0008800 GO:0016787 GO:0030655 GO:0046677
400.110.6713.380.160.823lezA GO:0008800 GO:0016787 GO:0030655 GO:0046677 GO:0046872
410.110.6963.040.150.824mx4A GO:0008800 GO:0016787 GO:0030655 GO:0046677
420.110.6783.330.180.823dw0A GO:0008800 GO:0016787 GO:0030655 GO:0046677
430.100.6943.070.160.825e43A GO:0008800 GO:0016787 GO:0030655 GO:0046677
440.100.7082.880.170.822v1zA GO:0008800 GO:0016787 GO:0030655 GO:0046677
450.100.6803.390.140.821bueA GO:0008800 GO:0016787 GO:0030655 GO:0046677
460.100.6713.300.140.812blmA GO:0005886 GO:0008800 GO:0016020 GO:0016787 GO:0030655 GO:0046677
470.100.6743.490.140.834qb8A GO:0005576 GO:0005886 GO:0008800 GO:0016020 GO:0016787 GO:0030655 GO:0033250 GO:0033251 GO:0042597 GO:0046677
480.100.7002.990.140.821n4oB GO:0008800 GO:0016787 GO:0030655 GO:0046677
490.100.6823.070.100.813p09A GO:0008800 GO:0016787 GO:0030655 GO:0046677
500.100.6933.600.150.841tvfA GO:0004180 GO:0006508 GO:0009002 GO:0016020 GO:0016021
510.090.6893.220.160.824eqiB GO:0008800 GO:0016787 GO:0030655 GO:0046677
520.080.6963.070.150.822j9oD
530.080.6643.580.170.811xp4A GO:0004175 GO:0004180 GO:0005887 GO:0006508 GO:0009002 GO:0009252 GO:0016787
540.070.6573.410.190.801xp4D GO:0004175 GO:0004180 GO:0005887 GO:0006508 GO:0009002 GO:0009252 GO:0016787
550.070.5783.420.130.701alqA GO:0008800 GO:0016787 GO:0030655 GO:0046677
560.070.7063.540.130.864b4xA GO:0004180 GO:0004185 GO:0005576 GO:0006508 GO:0008233 GO:0008360 GO:0009002 GO:0009252 GO:0016787 GO:0046677 GO:0071555
570.070.7003.440.120.852j9pA GO:0004185 GO:0005576 GO:0006508 GO:0007049 GO:0008360 GO:0009002 GO:0009252 GO:0016787 GO:0051301 GO:0071555
580.070.6463.850.120.805cerA GO:0004180 GO:0004185 GO:0006508 GO:0009002 GO:0016787
590.070.6733.520.100.833a3dA GO:0004185 GO:0006508 GO:0007049 GO:0008360 GO:0009002 GO:0009252 GO:0016787 GO:0042597 GO:0046677 GO:0051301 GO:0071555
600.060.2976.950.050.583qvfA GO:0000166 GO:0005524 GO:0016301 GO:0016310 GO:0016740
610.060.2937.060.050.573a15B GO:0046872
620.060.3306.200.100.574c20B GO:0005737 GO:0005975 GO:0005996 GO:0006004 GO:0008736 GO:0016853 GO:0016861 GO:0019317 GO:0030145 GO:0042355 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0008800 GO:0009002
GO-Score 0.57 0.35
Biological Processes GO:0006508 GO:0017001 GO:0046677 GO:0009252 GO:0008360 GO:0071555
GO-Score 0.64 0.57 0.57 0.35 0.35 0.35
Cellular Component GO:0030288 GO:0016021 GO:0005886 GO:0005576
GO-Score 0.57 0.42 0.42 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.