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I-TASSER results for job id Rv3435c

[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
10.11 7 4f8hD LMD Rep, Mult 59,226,229,230,234,235,238,239
20.08 5 3rifD IVM Rep, Mult 229,232,237,246,249,250,253,254,257
30.06 4 2xjmH CO Rep, Mult 236,250
40.05 3 3p4wD DSF Rep, Mult 124,191,236,245,248,249
50.05 3 3ri5E IVM Rep, Mult 264,265,266,269,271,272
60.05 3 1ocoB HEA Rep, Mult 254,255
70.02 1 3lw5K CLA Rep, Mult 227,231
80.02 1 1gzmB C8E Rep, Mult 225,261
90.02 1 4bntD 36E Rep, Mult 192,196
100.02 1 3ri5A RI5 Rep, Mult 219,223
110.02 1 2y6pC MG Rep, Mult 119,250
120.02 1 2o013 CLA Rep, Mult 262,265
130.02 1 2wsf4 CLA Rep, Mult 220,224,225

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
10.0601ileA0.3675.790.0390.5706.1.1.5189
20.0601ea0A0.3386.580.0500.5881.4.1.13NA
30.0603c2wC0.3625.600.0630.5602.7.13.3198,200
40.0602vdcA0.3625.520.0720.5601.4.1.13NA
50.0602veaA0.3695.460.0610.5632.7.13.3200
60.0601ug9A0.3496.360.0480.6023.2.1.70NA
70.0602x1lA0.3505.040.0570.5036.1.1.10224
80.0603eqlM0.3635.990.0700.5952.7.7.6NA
90.0602vz9B0.3466.490.0610.6062.3.1.85NA
100.0602zxqA0.3656.550.0640.6233.2.1.97NA
110.0603ixzA0.3816.140.0340.6483.6.3.10NA
120.0603b8eA0.3536.360.0540.6133.6.3.9NA
130.0602rgrA0.3596.320.0210.6235.99.1.3NA
140.0601bgwA0.3106.470.0430.5395.99.1.3NA
150.0602vz8A0.3446.610.0610.6022.3.1.85NA
160.0601f13A0.3546.110.0210.5952.3.2.13NA
170.0603b8eC0.3596.520.0440.6373.6.3.9NA
180.0601mhsA0.3726.500.0430.6413.6.3.6NA
190.0602vkzG0.3806.260.0500.6442.3.1.38,3.1.2.14NA

(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
00.220.6963.830.090.894pirC GO:0004889 GO:0004993 GO:0005230 GO:0005232 GO:0005886 GO:0005892 GO:0006810 GO:0006811 GO:0007210 GO:0007271 GO:0015276 GO:0015464 GO:0016020 GO:0016021 GO:0022850 GO:0030054 GO:0034220 GO:0042166 GO:0045202 GO:0045211 GO:0051378 GO:0098655 GO:1904602
10.210.6934.130.080.924aq5C GO:0004889 GO:0005216 GO:0005230 GO:0005886 GO:0006810 GO:0006811 GO:0016020 GO:0016021 GO:0030054 GO:0034220 GO:0045202 GO:0045211 GO:0098655
20.170.6333.840.110.824z90A GO:0005230 GO:0006810 GO:0006811 GO:0016020 GO:0016021 GO:0034220
30.110.7113.800.110.913jafA GO:0005230 GO:0005254 GO:0005886 GO:0005887 GO:0006810 GO:0006811 GO:0006821 GO:0007218 GO:0007417 GO:0008270 GO:0016020 GO:0016021 GO:0016594 GO:0016934 GO:0022824 GO:0030054 GO:0030425 GO:0034220 GO:0034707 GO:0042995 GO:0043200 GO:0043204 GO:0045202 GO:0045211 GO:0045664 GO:0046872 GO:0051260 GO:0060012 GO:0071230 GO:0071294 GO:0071361 GO:0099565 GO:1902476
40.110.7003.810.090.914cofA GO:0004890 GO:0005216 GO:0005230 GO:0005254 GO:0005886 GO:0005887 GO:0006810 GO:0006811 GO:0006821 GO:0007165 GO:0007605 GO:0016020 GO:0016021 GO:0022851 GO:0030054 GO:0034220 GO:0034707 GO:0043523 GO:0043524 GO:0045202 GO:0045211 GO:0048666 GO:0060021 GO:0060080 GO:0060119 GO:0060384 GO:0071420 GO:0090102 GO:1901215 GO:1902476 GO:1902711
50.100.6934.130.100.924aq5A GO:0004889 GO:0005216 GO:0005230 GO:0005886 GO:0006810 GO:0006811 GO:0016020 GO:0016021 GO:0030054 GO:0034220 GO:0045202 GO:0045211 GO:0098655
60.100.6973.980.070.924aq5B GO:0004889 GO:0005216 GO:0005230 GO:0005886 GO:0006810 GO:0006811 GO:0016020 GO:0016021 GO:0030054 GO:0034220 GO:0045202 GO:0045211 GO:0098655
70.100.6924.050.050.914aq5E GO:0004889 GO:0005216 GO:0005230 GO:0005886 GO:0006810 GO:0006811 GO:0016020 GO:0016021 GO:0030054 GO:0034220 GO:0045202 GO:0045211 GO:0098655
80.090.6993.710.110.894tnwA GO:0005230 GO:0005886 GO:0005887 GO:0006810 GO:0006811 GO:0008068 GO:0016020 GO:0016021 GO:0016595 GO:0030054 GO:0031987 GO:0045202 GO:0045211 GO:0051259 GO:1902476
90.090.6553.840.070.854ireB GO:0005230 GO:0005267 GO:0005272 GO:0005886 GO:0006810 GO:0006811 GO:0006813 GO:0006814 GO:0016020 GO:0016021 GO:0035725 GO:0071805
100.070.6373.930.110.834x5tA GO:0001508 GO:0001964 GO:0002087 GO:0005230 GO:0005254 GO:0005267 GO:0005272 GO:0005622 GO:0005783 GO:0005886 GO:0005887 GO:0006810 GO:0006811 GO:0006813 GO:0006814 GO:0006820 GO:0006821 GO:0006936 GO:0007218 GO:0007268 GO:0007340 GO:0007601 GO:0007628 GO:0008270 GO:0009897 GO:0016020 GO:0016021 GO:0016594 GO:0016933 GO:0016934 GO:0022824 GO:0030054 GO:0030425 GO:0030977 GO:0034220 GO:0034707 GO:0035725 GO:0042391 GO:0042995 GO:0043005 GO:0043025 GO:0043204 GO:0043231 GO:0043576 GO:0045202 GO:0045211 GO:0046872 GO:0050884 GO:0050905 GO:0051260 GO:0051291 GO:0051970 GO:0060012 GO:0060013 GO:0060077 GO:0060080 GO:0071230 GO:0071294 GO:0071361 GO:0071805 GO:0097305 GO:1902476 GO:2000344
110.070.6203.860.070.804yeuA GO:0005230 GO:0005267 GO:0005272 GO:0005886 GO:0006810 GO:0006811 GO:0006813 GO:0006814 GO:0016020 GO:0016021 GO:0034220 GO:0035725 GO:0071805
120.070.4444.270.070.594zk1B GO:0005230 GO:0005576 GO:0006810 GO:0006811 GO:0016020 GO:0016021 GO:0030054 GO:0034220 GO:0045202
130.070.4403.860.070.564aoeA GO:0005230 GO:0006810 GO:0006811 GO:0016020 GO:0016021 GO:0034220
140.060.4433.700.070.562qc1B GO:0003009 GO:0004889 GO:0005216 GO:0005230 GO:0005886 GO:0005892 GO:0006810 GO:0006811 GO:0006812 GO:0007165 GO:0007271 GO:0007274 GO:0007528 GO:0009986 GO:0015464 GO:0016020 GO:0016021 GO:0019228 GO:0030054 GO:0031594 GO:0035094 GO:0042166 GO:0042391 GO:0045202 GO:0045211 GO:0046716 GO:0048630 GO:0050881 GO:0050905 GO:0070050 GO:0098655 GO:0099565
150.060.4394.070.040.575afmB GO:0000187 GO:0001540 GO:0001666 GO:0004889 GO:0005216 GO:0005230 GO:0005576 GO:0005886 GO:0005892 GO:0006810 GO:0006811 GO:0006816 GO:0006874 GO:0007165 GO:0007271 GO:0007613 GO:0008284 GO:0015276 GO:0015464 GO:0015643 GO:0016020 GO:0016021 GO:0017081 GO:0022848 GO:0030054 GO:0032720 GO:0034220 GO:0035094 GO:0042166 GO:0042803 GO:0045202 GO:0045211 GO:0045766 GO:0050890 GO:0098655 GO:0099565
160.060.4403.870.060.564aodA GO:0005230 GO:0006810 GO:0006811 GO:0016020 GO:0016021 GO:0034220
170.060.4403.890.090.564d01A GO:0004889 GO:0005216 GO:0005230 GO:0005262 GO:0005886 GO:0005887 GO:0005892 GO:0006810 GO:0006811 GO:0006812 GO:0006816 GO:0007165 GO:0007204 GO:0007271 GO:0007605 GO:0015276 GO:0016020 GO:0016021 GO:0022848 GO:0030054 GO:0042166 GO:0042472 GO:0045202 GO:0045211 GO:0050910 GO:0070588 GO:0098655 GO:0099565
180.060.4283.950.070.554zjsA GO:0003009 GO:0004889 GO:0005216 GO:0005230 GO:0005886 GO:0005892 GO:0006810 GO:0006811 GO:0006812 GO:0007165 GO:0007271 GO:0007274 GO:0007528 GO:0009986 GO:0015276 GO:0015464 GO:0016020 GO:0016021 GO:0019228 GO:0030054 GO:0031594 GO:0034220 GO:0035094 GO:0042166 GO:0042391 GO:0045202 GO:0045211 GO:0046716 GO:0046872 GO:0048630 GO:0050881 GO:0050905 GO:0070050 GO:0098655 GO:0099565


Consensus prediction of GO terms
 
Molecular Function GO:0070405 GO:0022824 GO:0042165 GO:0099589 GO:0008227 GO:0043176 GO:1901363 GO:0097159 GO:0005253 GO:0015108 GO:0004889
GO-Score 0.45 0.45 0.45 0.45 0.45 0.45 0.43 0.42 0.42 0.42 0.39
Biological Processes GO:0007268 GO:0007186 GO:0006821 GO:0098661 GO:0098655
GO-Score 0.45 0.45 0.42 0.42 0.39
Cellular Component GO:0030054 GO:0045211 GO:0005887 GO:0034703 GO:0098802
GO-Score 0.51 0.51 0.45 0.45 0.45

(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.