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I-TASSER results for job id Rv1048c

[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
10.06 3 1j79B NCD Rep, Mult 354,357
20.06 3 3iasK CA Rep, Mult 360,363
30.04 2 4m9vC MPD Rep, Mult 228,231
40.04 2 2byoA ZN Rep, Mult 203,222
50.04 2 2aiyB IPH Rep, Mult 224,227
60.02 1 4wakB BCT Rep, Mult 155,158
70.02 1 3cmvG ANP Rep, Mult 182,190,191,192,193,194
80.02 1 3shfA GBL Rep, Mult 237,238,243,277,281
90.02 1 4a8fA MG Rep, Mult 69,124
100.02 1 3sfzA GBL Rep, Mult 169,170,188,191,210,215
110.02 1 1khrC VIR Rep, Mult 348,350
120.02 1 2wscK CLA Rep, Mult 163,167
130.02 1 1jwlA NUC Rep, Mult 276,280
140.02 1 1xbtA MG Rep, Mult 10,49
150.02 1 3t24A C8E Rep, Mult 124,137
160.02 1 1ldbD SO4 Rep, Mult 201,203
170.02 1 1f31A UUU Rep, Mult 191,192,204,206,218
180.02 1 3iylA MYR Rep, Mult 124,141

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
10.0601yqyA0.2587.400.0280.4663.4.24.83272,320
20.0603gtgB0.3536.780.0690.5962.7.7.6NA
30.0603a2kA0.3806.540.0570.6016.3.4.-NA
40.0601ob2A0.2166.000.0370.3323.6.1.48NA
50.0602x0sA0.3437.110.0580.5962.7.9.1NA
60.0603btaA0.3706.920.0300.6363.4.24.69NA
70.0601ej6A0.3507.060.0480.6092.7.7.50NA
80.0602w68C0.1586.200.0790.2513.2.1.18NA
90.0602qf7B0.3437.170.0540.6016.4.1.1NA
100.0602hg4C0.3686.580.0550.6072.3.1.94166,210
110.0602q3zA0.3617.250.0370.6392.3.2.13NA
120.0602vumB0.3436.620.0540.5712.7.7.6325
130.0602vz9B0.3687.120.0720.6442.3.1.85NA
140.0602zxqA0.4186.650.0510.6853.2.1.97346,362
150.0601z0hB0.2377.210.0290.4183.4.24.69NA
160.0601etuA0.1615.560.0570.2343.6.5.3NA
170.0601hn0A0.4086.710.0520.6764.2.2.20NA
180.0601p4rA0.3586.790.0390.5882.1.2.3,3.5.4.10NA
190.0602vkzG0.3777.130.0530.6682.3.1.38,3.1.2.14NA

(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
00.060.4006.630.030.665ffjA GO:0000166 GO:0003676 GO:0003677 GO:0004518 GO:0004519 GO:0005524 GO:0006306 GO:0008168 GO:0008170 GO:0016787 GO:0032259 GO:0090305
10.060.2646.590.050.434a2wA GO:0000166 GO:0003677 GO:0005524 GO:0005737 GO:0016787 GO:0016817 GO:0046872
20.060.3076.810.050.514p0dA GO:0005576 GO:0005618
30.060.2707.230.030.482wjyA GO:0000166 GO:0000184 GO:0000294 GO:0000723 GO:0000784 GO:0000785 GO:0000932 GO:0000956 GO:0003677 GO:0003682 GO:0003723 GO:0004004 GO:0004386 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0006260 GO:0006281 GO:0006406 GO:0006449 GO:0008270 GO:0009048 GO:0016787 GO:0032201 GO:0035145 GO:0042162 GO:0044530 GO:0044822 GO:0046872 GO:0061014 GO:0061158 GO:0071044 GO:0071222 GO:0071347
40.060.2986.180.080.463ufbA GO:0003676 GO:0003677 GO:0006306 GO:0008168 GO:0008170 GO:0016740 GO:0032259
50.060.2476.890.050.422zooA GO:0005507 GO:0006807 GO:0009055 GO:0016491 GO:0020037 GO:0046872 GO:0050421 GO:0055114
60.060.3647.160.050.645ffjB GO:0000166 GO:0003676 GO:0003677 GO:0004518 GO:0004519 GO:0005524 GO:0006306 GO:0008168 GO:0008170 GO:0016787 GO:0032259 GO:0090305
70.060.2136.590.030.342ocaA GO:0000166 GO:0003677 GO:0004386 GO:0005524 GO:0016787
80.060.2376.820.020.392xzlA GO:0000166 GO:0000184 GO:0000956 GO:0003677 GO:0004004 GO:0004386 GO:0005524 GO:0005634 GO:0005737 GO:0005739 GO:0005844 GO:0006310 GO:0006449 GO:0006452 GO:0008270 GO:0008298 GO:0016567 GO:0016787 GO:0016887 GO:0030466 GO:0043024 GO:0046872 GO:0070478
90.060.2636.780.040.433h1tA GO:0000166 GO:0003677 GO:0003824 GO:0005524 GO:0006304 GO:0016787
100.060.2767.080.030.481larA GO:0004721 GO:0004725 GO:0005001 GO:0005886 GO:0005887 GO:0006470 GO:0007155 GO:0007185 GO:0007268 GO:0008201 GO:0010975 GO:0016020 GO:0016021 GO:0016311 GO:0016477 GO:0016787 GO:0016791 GO:0031102 GO:0032403 GO:0035335 GO:0035373 GO:0043005 GO:0043025 GO:0048679 GO:0070062 GO:1900121
110.060.2296.710.040.374rxoD GO:0002376 GO:0003676 GO:0003723 GO:0003824 GO:0005622 GO:0005634 GO:0005654 GO:0005886 GO:0006203 GO:0006955 GO:0008152 GO:0008270 GO:0008832 GO:0016787 GO:0032567 GO:0045087 GO:0045088 GO:0046061 GO:0046872 GO:0051289 GO:0051607 GO:0060337
120.060.2755.950.050.434a36A GO:0000166 GO:0003677 GO:0005524 GO:0005737 GO:0016787 GO:0016817 GO:0046872
130.060.2385.840.060.364cbhA GO:0000166 GO:0001172 GO:0003723 GO:0003968 GO:0004175 GO:0004197 GO:0004252 GO:0004386 GO:0005216 GO:0005524 GO:0006508 GO:0006810 GO:0006811 GO:0008026 GO:0008233 GO:0008234 GO:0008236 GO:0016020 GO:0016021 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0016817 GO:0017111 GO:0019012 GO:0019062 GO:0019079 GO:0019082 GO:0030430 GO:0030683 GO:0033644 GO:0033897 GO:0034220 GO:0039503 GO:0039520 GO:0039548 GO:0039654 GO:0039663 GO:0039694 GO:0039707 GO:0042025 GO:0044228 GO:0044385 GO:0046718 GO:0051259 GO:0055036 GO:0070008 GO:0090502 GO:1903608 GO:1990219
140.060.2366.960.040.421vj7A GO:0000166 GO:0005524 GO:0005525 GO:0008152 GO:0008728 GO:0008893 GO:0015969 GO:0015970 GO:0016301 GO:0016310 GO:0016597 GO:0016740 GO:0016787 GO:0046872
150.060.2396.470.050.384nmnA GO:0000166 GO:0003677 GO:0003678 GO:0004386 GO:0005524 GO:0005829 GO:0006260 GO:0006268 GO:0006269 GO:0016787 GO:0046872 GO:1990077
160.060.2486.260.060.402vq2A
170.060.2306.630.040.382fdcA GO:0000166 GO:0003677 GO:0004386 GO:0004518 GO:0005524 GO:0005737 GO:0006281 GO:0006289 GO:0006974 GO:0009381 GO:0009432 GO:0016787 GO:0090305
180.060.2267.040.100.382d7dA GO:0000166 GO:0003677 GO:0004386 GO:0004518 GO:0005524 GO:0005737 GO:0006281 GO:0006289 GO:0006974 GO:0009381 GO:0009432 GO:0016787 GO:0090305


Consensus prediction of GO terms
 
Molecular Function GO:0003676 GO:0032550 GO:0032559 GO:0035639
GO-Score 0.46 0.36 0.36 0.36
Biological Processes GO:0006306 GO:0090305 GO:0061158 GO:0006281 GO:0006449 GO:0032201 GO:0071044 GO:0071222 GO:0006406 GO:0000294 GO:0071347 GO:0061014 GO:0000184 GO:0009048
GO-Score 0.12 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06
Cellular Component GO:0005576 GO:0005618 GO:0035145 GO:0005654 GO:0000932 GO:0000784 GO:0044530 GO:0005829 GO:0000785
GO-Score 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06

(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.