[Home] [Server] [About] [Statistics] [Annotation]

I-TASSER results for job id Rv2117

[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 3 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 1wc1A TAT Rep, Mult 9,10,12,43,44,53
20.09 5 1wc6A MG Rep, Mult 9,10,52,87
30.05 3 2bw7A APC Rep, Mult 10,11,12,45,46,85
40.05 3 2qc8F MN Rep, Mult 5,7,42,55
50.03 2 2raqA CA Rep, Mult 42,47
60.03 2 1wc4A UUU Rep, Mult 10,11,12,13,15,45,46
70.03 2 3wc0A GTP Rep, Mult 7,89
80.02 1 1ab8B FOK Rep, Mult 25,41,42
90.02 1 2a6h3 III Rep, Mult 26,30,34
100.02 1 3eywA ZN Rep, Mult 49,65
110.02 1 1gd2I III Rep, Mult 15,18,19
120.02 1 2hfoE FMN Rep, Mult 8,25,29,32,33,52,54,76,77,80,82,83
130.02 1 1cul0 III Rep, Mult 20,21,23,24,27,31
140.02 1 3maaB FKP Rep, Mult 28,29,32,55

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
10.2412acyA0.6172.450.0490.8143.6.1.734
20.2171urrA0.6242.650.0980.8353.6.1.734
30.2141gxtA0.5762.480.1600.7532.1.3.-26
40.1751mwyA0.5572.670.0830.7423.6.3.3,3.6.3.510,85
50.1661aw0A0.5602.450.0860.7223.6.3.435,75
60.1631kviA0.5742.580.0530.7733.6.3.438,83
70.1621s6oA0.5132.880.1080.7633.6.3.432
80.1612ko1A0.5932.980.0730.8452.7.6.510,25
90.1361fvqA0.5642.320.1140.7223.6.3.425
100.1342pq4A0.5602.910.0760.8041.7.99.441,54,56,87
110.1223cjkA0.5432.440.0880.7013.6.3.438
120.1021v3zA0.5752.800.0660.7833.6.1.7NA
130.1011y3jA0.5422.870.1050.7423.6.3.4NA
140.1001w2iA0.5752.800.0660.7833.6.1.734
150.0882k7jA0.6132.670.0370.8253.6.1.7NA
160.0862gv1A0.5932.730.0910.7943.6.1.7NA
170.0851ulrA0.5952.720.1270.7943.6.1.7NA
180.0722fhmA0.5822.670.1000.8043.6.1.7NA
190.0681apsA0.6212.570.0730.8253.6.1.734
200.0661fwpA0.4982.680.1030.7012.7.13.3NA
210.0601fnoA0.6402.830.0900.8973.4.11.413
220.0603ikmD0.6463.010.1030.8872.7.7.7NA
230.0602gl6A0.5712.980.0680.8562.7.3.2NA
240.0601cg2A0.7112.710.0840.9593.4.17.1142
250.0603ic1A0.6552.950.0740.9283.5.1.18NA
260.0601r3nA0.7082.610.0420.9693.5.1.6NA
270.0603gb0A0.6772.900.0430.9383.4.11.-69
280.0601n16B0.5763.150.0680.8872.7.3.251
290.0601vgyA0.6832.930.0740.9593.5.1.18NA
300.0601m5sD0.6433.010.0340.8972.3.1.10129,45
310.0602lgsA0.6752.840.0740.9696.3.1.251
320.0602d1cA0.6472.650.0930.8761.1.1.42NA
330.0601f1hL0.6742.970.0740.9796.3.1.235,78
340.0602uu7A0.6972.800.0970.9596.3.1.2NA
350.0601f1hA0.6742.970.0740.9796.3.1.2NA
360.0602d3aA0.6902.830.1080.9596.3.1.2NA
370.0603fkyC0.7012.730.0970.9596.3.1.2NA
380.0601htoA0.6972.630.1200.9496.3.1.2NA
390.0603ju5C0.6612.570.0670.8762.7.3.3NA

(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
00.190.5332.660.140.722ldiA GO:0000166 GO:0005385 GO:0005524 GO:0005886 GO:0005887 GO:0006810 GO:0006811 GO:0006812 GO:0006829 GO:0015086 GO:0016020 GO:0016021 GO:0016463 GO:0016787 GO:0019829 GO:0030001 GO:0043231 GO:0046872 GO:0070574 GO:0071577 GO:0098655
10.170.5602.450.090.721aw0A GO:0000166 GO:0001568 GO:0001701 GO:0001974 GO:0002082 GO:0004008 GO:0005375 GO:0005507 GO:0005524 GO:0005737 GO:0005770 GO:0005783 GO:0005794 GO:0005802 GO:0005829 GO:0005886 GO:0005887 GO:0006568 GO:0006584 GO:0006810 GO:0006811 GO:0006812 GO:0006825 GO:0006878 GO:0007005 GO:0007595 GO:0007626 GO:0010041 GO:0010043 GO:0010273 GO:0015677 GO:0015679 GO:0016020 GO:0016021 GO:0016323 GO:0016532 GO:0016787 GO:0018205 GO:0019430 GO:0019829 GO:0021702 GO:0021860 GO:0021954 GO:0030001 GO:0030140 GO:0030141 GO:0030198 GO:0030199 GO:0031069 GO:0031526 GO:0032767 GO:0034220 GO:0042093 GO:0042414 GO:0042415 GO:0042417 GO:0042428 GO:0043005 GO:0043025 GO:0043085 GO:0043086 GO:0043473 GO:0043588 GO:0046688 GO:0046872 GO:0048251 GO:0048286 GO:0048471 GO:0048812 GO:0051216 GO:0051353 GO:0051542 GO:0060003
20.170.5142.160.130.644zoqF GO:0004252 GO:0006508 GO:0008233
30.170.5332.470.100.711osdA GO:0015097 GO:0015694 GO:0030001 GO:0042597 GO:0045340 GO:0046689 GO:0046872
40.160.5482.750.140.742crlA GO:0000302 GO:0004784 GO:0005507 GO:0005634 GO:0005737 GO:0005829 GO:0005913 GO:0006801 GO:0008270 GO:0015035 GO:0015680 GO:0016532 GO:0019430 GO:0030001 GO:0046872 GO:0051353 GO:0055114 GO:0098609 GO:0098641
50.150.5432.440.090.703cjkA GO:0005375 GO:0005507 GO:0005829 GO:0006810 GO:0006811 GO:0006825 GO:0006878 GO:0006979 GO:0015680 GO:0016530 GO:0016531 GO:0030001 GO:0032767 GO:0035434 GO:0046872
60.140.7082.610.040.971r3nA GO:0003837 GO:0008152 GO:0016787 GO:0016813 GO:0046872
70.140.4522.580.070.621sb6A GO:0005507 GO:0005737 GO:0030001 GO:0046872 GO:0046916
80.140.5142.370.100.652k2pA GO:0030001 GO:0046872
90.140.5352.540.040.721k0vA GO:0005507 GO:0005737 GO:0006825 GO:0030001 GO:0046872
100.140.5352.510.070.712l3mA GO:0005507 GO:0006825 GO:0030001 GO:0046872
110.140.5252.560.090.721afiA GO:0006810 GO:0015097 GO:0015694 GO:0030001 GO:0042597 GO:0045340 GO:0046689 GO:0046872
120.130.6733.040.070.944wj3B GO:0000166 GO:0005524 GO:0006412 GO:0016874 GO:0016884 GO:0032543 GO:0050567 GO:0070681
130.130.7152.690.030.973ramA GO:0008152 GO:0016787
140.130.6912.270.100.892q43A GO:0005783 GO:0005788 GO:0006508 GO:0008152 GO:0008270 GO:0009850 GO:0010178 GO:0010179 GO:0016787 GO:0043171 GO:0070573
150.120.7142.540.100.965i4mA GO:0008152 GO:0016787 GO:0016813 GO:0050538
160.120.7152.730.050.952d6fD GO:0000166 GO:0004812 GO:0005524 GO:0005737 GO:0006412 GO:0016874 GO:0016884 GO:0050567
170.120.3643.880.070.561zq1C GO:0000166 GO:0004812 GO:0005524 GO:0005737 GO:0006412 GO:0016874 GO:0016884 GO:0050567
180.110.7282.470.100.964ewtA GO:0008152 GO:0016787
190.110.6852.730.110.963io1A GO:0008152 GO:0016787
200.110.5793.290.020.863al0B GO:0000166 GO:0005524 GO:0006412 GO:0016874 GO:0016884 GO:0032543 GO:0050567 GO:0070681
210.110.5432.790.070.731q8lA GO:0000166 GO:0001568 GO:0001701 GO:0001974 GO:0002082 GO:0004008 GO:0005375 GO:0005507 GO:0005524 GO:0005737 GO:0005770 GO:0005783 GO:0005794 GO:0005802 GO:0005829 GO:0005886 GO:0005887 GO:0006568 GO:0006584 GO:0006810 GO:0006811 GO:0006812 GO:0006825 GO:0006878 GO:0007005 GO:0007595 GO:0007626 GO:0010041 GO:0010043 GO:0010273 GO:0015677 GO:0015679 GO:0016020 GO:0016021 GO:0016323 GO:0016532 GO:0016787 GO:0018205 GO:0019430 GO:0019829 GO:0021702 GO:0021860 GO:0021954 GO:0030001 GO:0030140 GO:0030141 GO:0030198 GO:0030199 GO:0031069 GO:0031526 GO:0032767 GO:0034220 GO:0042093 GO:0042414 GO:0042415 GO:0042417 GO:0042428 GO:0043005 GO:0043025 GO:0043085 GO:0043086 GO:0043473 GO:0043588 GO:0046688 GO:0046872 GO:0048251 GO:0048286 GO:0048471 GO:0048812 GO:0051216 GO:0051353 GO:0051542 GO:0060003
220.100.6972.490.090.924pxdA GO:0000256 GO:0006144 GO:0008152 GO:0009442 GO:0016787 GO:0016813 GO:0030145 GO:0042803 GO:0046872 GO:0047652
230.100.5723.150.020.903ip4B GO:0000166 GO:0005524 GO:0006412 GO:0016874 GO:0016884 GO:0050567
240.100.6972.530.100.931ysjA GO:0006508 GO:0008152 GO:0008270 GO:0016787 GO:0043171 GO:0070573
250.100.3754.110.080.593kfuF GO:0000166 GO:0005524 GO:0006412 GO:0016874 GO:0016884 GO:0050567
260.090.5893.610.050.944n0hB GO:0000166 GO:0005524 GO:0005739 GO:0006412 GO:0016874 GO:0016884 GO:0030956 GO:0032543 GO:0050567 GO:0070681
270.090.5783.170.050.853h0lB GO:0000166 GO:0005524 GO:0006412 GO:0016874 GO:0016884 GO:0032543 GO:0050567 GO:0070681
280.080.6252.920.120.941lfwA GO:0005737 GO:0006508 GO:0008152 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0016805 GO:0046872
290.070.5572.670.080.741mwyA GO:0000166 GO:0005524 GO:0005886 GO:0005887 GO:0006812 GO:0006824 GO:0006829 GO:0008551 GO:0010312 GO:0015087 GO:0015094 GO:0015099 GO:0015692 GO:0016020 GO:0016021 GO:0016463 GO:0016787 GO:0016887 GO:0019829 GO:0030001 GO:0035444 GO:0043231 GO:0046686 GO:0046872 GO:0070574 GO:0071577 GO:0098655
300.070.5252.740.140.731fd8A GO:0005737 GO:0005829 GO:0006810 GO:0006811 GO:0006825 GO:0006878 GO:0006879 GO:0015680 GO:0016531 GO:0030001 GO:0034599 GO:0046872
310.070.6842.820.060.954o23A GO:0008152 GO:0008270 GO:0008652 GO:0009014 GO:0009085 GO:0009089 GO:0016787 GO:0019877 GO:0046872 GO:0050897
320.070.7082.530.050.963n5fA GO:0008152 GO:0016787 GO:0016813 GO:0042802 GO:0050538


Consensus prediction of GO terms
 
Molecular Function GO:0072509 GO:0043682 GO:0004175 GO:0008236 GO:0005524 GO:0016209 GO:0098632 GO:0045296 GO:0016721 GO:0015036 GO:0016532
GO-Score 0.39 0.35 0.35 0.35 0.34 0.31 0.31 0.31 0.31 0.31 0.30
Biological Processes GO:0015691 GO:0006829 GO:0035434 GO:0001501 GO:0030879 GO:0030324 GO:0048858 GO:0021859 GO:0006586 GO:0042325 GO:0006119 GO:1990169 GO:0006996 GO:0001942 GO:0048771 GO:1901160 GO:0018193 GO:0010039 GO:0009101 GO:0009072 GO:1901605 GO:0061448 GO:0031175 GO:0007589 GO:0032941 GO:1903578 GO:0044092 GO:0085029 GO:0048730 GO:0051541 GO:0043009 GO:0055070 GO:0007610 GO:0002294 GO:0021694 GO:0001944 GO:0021884 GO:0021533 GO:0071822 GO:0043467 GO:0006584 GO:0046916 GO:0050787 GO:1902582 GO:0019430 GO:0051353
GO-Score 0.39 0.39 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.34 0.31 0.30 0.30
Cellular Component GO:0099503 GO:0030136 GO:0044297 GO:0005903 GO:0031253 GO:0030133 GO:0036477 GO:0005798 GO:0098791 GO:0005768 GO:0005887 GO:0005911 GO:0005912 GO:0005829
GO-Score 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.34 0.31 0.31 0.30

(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.