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I-TASSER results for job id Rv3402c

[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
10.59 88 1b9iA PXG Rep, Mult 93,94,95,98,121,122,124,170,197,199,200,222,224,227,385
20.36 51 3frkA TQP Rep, Mult 37,40,93,94,95,122,124,170,197,199,200,222,224,225,226,227,323,348,350,351
30.08 14 2po3A T4K Rep, Mult 62,63,64,65,66,268
40.06 12 3dr7A GPD Rep, Mult 37,40,122,224,225,226,227,323,346,348,351
50.06 12 3nubA UD0 Rep, Mult 254,268,270
60.05 10 3frkA TQP Rep, Mult 62,63,64,65,254,259,268
70.03 6 1i48L PLP Rep, Mult 93,94,95,122,197,222,224,227
80.01 2 2ogaA PGU Rep, Mult 254,259,260,268,270
90.00 1 2gmsA MG Rep, Mult 392,395
100.00 1 1mdxA AKG Rep, Mult 224,233
110.00 1 3dr7C GPD Rep, Mult 62,63,64,65
120.00 1 2fn60 III Rep, Mult 39,52,55,59,60,62,64,65,66,92,93,95,103,122,127,128,130,131,224,232,233,254,256,261,262,263,264,265,267,268,269,270,272,274,275,337,347,348,358,359,360
130.00 1 4ytjE TYD Rep, Mult 40,225,226
140.00 1 3ju7B CA Rep, Mult 53,284

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
10.3731lc7A0.6653.740.1050.8034.1.1.81122,197,227;159
20.3111p3wA0.6883.900.1010.8352.8.1.7,4.4.1.-197,227
30.2692e7iA0.6473.870.1180.7822.5.1.73222,227
40.2621u08A0.6814.040.0880.8402.6.1.-95
50.2282f8jC0.6333.670.1070.7622.6.1.9199,230
60.1243cq5B0.6743.720.1160.8162.6.1.9227
70.1191v72A0.6643.140.1070.7724.1.2.26NA
80.1161v2eA0.6734.140.1210.8352.6.1.15122,197
90.1151fg3A0.6663.590.1220.7942.6.1.9227
100.1121p3wB0.6883.880.0990.8352.8.1.7224
110.1102wk8B0.6683.690.1250.7842.3.-.-120,197,227
120.1082wk7A0.6873.890.1220.8182.3.-.-120,197
130.1051uu1C0.6403.620.1130.7622.6.1.9197,227
140.1013eucB0.6533.800.1370.7842.6.1.993,122
150.0941pffA0.6223.180.1050.7094.4.1.11227
160.0601b9hA0.8322.070.2210.8884.2.1.-122,197,227
170.0602vmzA0.6903.940.1010.8302.1.2.1199
180.0601iayA0.6894.240.1060.8624.4.1.14NA
190.0601i29A0.6943.930.0790.8524.4.1.16276
200.0601ejiA0.6893.920.0910.8302.1.2.1135
210.0601mdxA0.8142.060.2350.8692.6.1.87197,225,227
220.0602zc0A0.6834.360.1120.8672.6.1.44197
230.0601ax4A0.6873.960.1050.8454.1.99.1122,197
240.0603a2bA0.6983.620.1130.8232.3.1.50197,227
250.0602c7tA0.8202.250.2290.8812.6.1.-NA
260.0603b46B0.6874.170.0770.8522.6.1.7NA
270.0601dj9A0.6943.780.1160.8232.3.1.47197,227,229
280.0601szkC0.6943.980.0920.8372.6.1.19,2.6.1.2294,205,210
290.0602r5cA0.6844.290.0960.8642.6.1.64122,197
300.0602jisB0.6883.970.0920.8354.1.1.29197,227
310.0601rv3B0.6893.910.0930.8302.1.2.1211
320.0601sf2A0.6953.920.1090.8352.6.1.19,2.6.1.22197,227
330.0602dkjA0.6873.940.1190.8282.1.2.1197,227
340.0602cfbA0.6553.770.1280.7775.4.3.894,100,102,124,201

(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
00.490.8322.070.220.891b9hA GO:0003824 GO:0016740 GO:0016829 GO:0017000
10.470.8441.340.230.873nu7B GO:0000271 GO:0003824 GO:0008483 GO:0009103 GO:0009243 GO:0016740 GO:0030170 GO:0071555
20.440.8771.150.240.904qgrA GO:0003824 GO:0008483 GO:0016740
30.430.8272.020.230.882fniA GO:0003824 GO:0008483 GO:0016740
40.430.8281.850.240.884zahA GO:0003824 GO:0009246 GO:0016740 GO:0019180 GO:0030170
50.420.8581.710.240.902ogaA GO:0003824 GO:0008483 GO:0016740 GO:0017000 GO:0030170 GO:0033068
60.410.8202.250.230.882c7tA GO:0003824 GO:0008483 GO:0016740 GO:0017000
70.400.8262.060.260.884lc3A GO:0003824
80.400.8481.690.230.883frkA GO:0003824
90.390.8142.060.230.871mdxA GO:0003824 GO:0006629 GO:0008483 GO:0009103 GO:0009245 GO:0016740 GO:0046493 GO:0046677 GO:0099621
100.390.7942.590.220.875k8bA GO:0000271 GO:0003824 GO:0008483 GO:0009103 GO:0016740
110.380.7952.380.300.873ju7A GO:0003824
120.370.8162.400.240.892po3A GO:0003824
130.370.8461.770.180.893uwcA GO:0003824 GO:0008483 GO:0016740
140.370.8422.450.190.913bcxA GO:0003824 GO:0008483 GO:0016740
150.370.8231.940.170.872gmsA GO:0003824 GO:0008483 GO:0016740
160.370.8271.810.260.873dr4C GO:0003824 GO:0008483 GO:0009103 GO:0009243 GO:0016740
170.350.8202.220.220.884xauB GO:0003824 GO:0008483 GO:0016740
180.340.8111.860.220.864zasA GO:0003824
190.340.8362.040.190.894k2mA GO:0003824 GO:0008483 GO:0016740 GO:0017000 GO:0030170
200.290.6663.250.130.763cogD GO:0000098 GO:0003824 GO:0003962 GO:0004123 GO:0005516 GO:0005634 GO:0005737 GO:0005829 GO:0006534 GO:0008652 GO:0016829 GO:0016846 GO:0018272 GO:0019343 GO:0019344 GO:0019346 GO:0030170 GO:0030968 GO:0043066 GO:0043123 GO:0044524 GO:0044540 GO:0047982 GO:0051092 GO:0051289 GO:0070062 GO:0070814 GO:0071266 GO:0080146 GO:1904831 GO:2001234
210.280.8261.830.210.874ztcA GO:0003824 GO:0006486 GO:0008483 GO:0016740 GO:0047302
220.240.6463.710.130.761pg8A GO:0003824 GO:0016829 GO:0018826 GO:0030170 GO:0047982
230.230.6734.140.120.831v2eA GO:0003824 GO:0008483 GO:0009058 GO:0016740 GO:0030170
240.130.6784.160.120.852o0rA GO:0003824 GO:0005618 GO:0005737 GO:0008483 GO:0008652 GO:0009016 GO:0009058 GO:0009085 GO:0009089 GO:0016740 GO:0030170
250.110.6703.240.150.782fm1D GO:0003824 GO:0004793 GO:0005829 GO:0006520 GO:0006545 GO:0006567 GO:0008732 GO:0016829 GO:0046872
260.110.6814.040.090.841u08A GO:0003824 GO:0005737 GO:0008483 GO:0009058 GO:0010326 GO:0016740 GO:0030170
270.110.6814.210.100.851j32A GO:0003824 GO:0004069 GO:0008483 GO:0009058 GO:0016740 GO:0030170 GO:0080130
280.110.6684.120.110.832o1bA GO:0003824 GO:0008483 GO:0009058 GO:0016740 GO:0030170
290.100.6674.240.100.844my5A GO:0003824 GO:0008483 GO:0009058 GO:0016740 GO:0030170
300.100.6704.260.090.841gd9A GO:0003824 GO:0008483 GO:0009058 GO:0016740 GO:0030170
310.100.6474.430.100.832z61A GO:0003824 GO:0005737 GO:0008483 GO:0009058 GO:0016740 GO:0030170
320.100.6834.360.110.872zc0A GO:0003824 GO:0008453 GO:0008483 GO:0009058 GO:0016740 GO:0030170
330.100.6794.360.100.873e2yA GO:0003824 GO:0005739 GO:0006103 GO:0006520 GO:0008483 GO:0009058 GO:0016212 GO:0016740 GO:0016829 GO:0030170 GO:0042803 GO:0044822 GO:0047315 GO:0047804 GO:0070189 GO:0097052
340.090.6504.840.120.864cvqA GO:0003824 GO:0004021 GO:0005737 GO:0006523 GO:0006974 GO:0008483 GO:0009058 GO:0016740 GO:0019272 GO:0030170 GO:0030632 GO:0046677
350.090.6524.440.120.831b5oA GO:0003824 GO:0004069 GO:0005737 GO:0008483 GO:0009058 GO:0016740 GO:0030170 GO:0080130
360.090.6644.590.130.861xi9C GO:0003824 GO:0008483 GO:0009058 GO:0016740 GO:0030170
370.090.6973.730.110.833mc6A GO:0003824 GO:0006629 GO:0006665 GO:0008117 GO:0009267 GO:0016829 GO:0016831 GO:0019722 GO:0019752 GO:0030170 GO:0032541 GO:0097038
380.090.6874.170.080.853b46B GO:0001558 GO:0003824 GO:0004061 GO:0005737 GO:0005739 GO:0008483 GO:0009058 GO:0016212 GO:0016740 GO:0030170 GO:0034276 GO:0047536 GO:0097053
390.090.6704.560.090.873fvsA GO:0003824 GO:0005654 GO:0005737 GO:0005829 GO:0006559 GO:0006569 GO:0006575 GO:0008483 GO:0008652 GO:0009058 GO:0016212 GO:0016740 GO:0016829 GO:0030170 GO:0042803 GO:0047312 GO:0047316 GO:0047804 GO:0047945 GO:0070189 GO:0097053
400.070.6943.920.110.852c44C GO:0003824 GO:0005737 GO:0005829 GO:0006520 GO:0006568 GO:0006569 GO:0009034 GO:0009072 GO:0016020 GO:0016829 GO:0016830 GO:0030170 GO:0030955 GO:0042802 GO:0060187 GO:0080146
410.070.6263.950.100.784w1yB GO:0003824 GO:0005737 GO:0005829 GO:0006520 GO:0006568 GO:0006569 GO:0009034 GO:0009072 GO:0016020 GO:0016829 GO:0016830 GO:0030170 GO:0030955 GO:0042802 GO:0060187 GO:0080146


Consensus prediction of GO terms
 
Molecular Function GO:0030170 GO:0016829 GO:0019180
GO-Score 0.69 0.49 0.43
Biological Processes GO:0017000 GO:0009243 GO:0071555 GO:0009246
GO-Score 0.49 0.47 0.47 0.43
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.