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I-TASSER results for job id Rv3611

[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 6 1a1lA NUC Rep, Mult 60,69,71,82,85,88,89,92,106,108,109,110,113,126,129,147,150,162
20.10 5 2i13A NUC Rep, Mult 33,47,50,51,55,69,71,82,85,89,92,110,113,126,129,145,147,150,163,166,182,184
30.06 3 1p47A NUC Rep, Mult 60,70,82,85,88,89,106,108,109,110,113,126,129,143,145,147,150,162,163,166
40.04 2 1meyF QNA Rep, Mult 32,34,35,36,39,51,52,55,85,88,89,92,106,110,113,125,126,129
50.04 2 1aklA CA Rep, Mult 159,160,161,163,181,182
60.02 1 1c8fA CA Rep, Mult 88,91
70.02 1 1c9uA CA Rep, Mult 74,87,88,191
80.02 1 1cq1A CA Rep, Mult 55,68,69
90.02 1 1c9uB CA Rep, Mult 109,110,200
100.02 1 3fbyA CA Rep, Mult 72,74,82,84,87
110.02 1 1meyC UUU Rep, Mult 84,87,99,111,112,125
120.02 1 1cq1B CA Rep, Mult 68,69
130.02 1 2xgfC CO3 Rep, Mult 130,131,132

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
10.0601p8jA0.4055.780.0640.7103.4.21.75NA
20.0602qr5A0.4345.270.0360.7143.4.19.1NA
30.0601cjyA0.4136.260.0310.7833.1.1.4,3.1.1.5NA
40.0601t3tA0.4136.520.0680.8206.3.5.3198
50.0604kbpA0.4046.160.0340.7373.1.3.2NA
60.0601e1yA0.4226.110.0390.7742.4.1.1NA
70.0602zuwC0.4035.890.0410.7052.4.1.21193,96
80.0603fu7B0.4126.040.0250.7511.10.3.2158,191
90.0601kb0A0.4145.980.0460.7561.1.99.-NA
100.0603ig5A0.4055.650.0210.6966.3.2.2NA
110.0601ej6A0.4105.780.0270.6962.7.7.5085
120.0603ej6D0.3735.810.0700.6771.11.1.683,87
130.0602qb7A0.4105.480.0180.7013.6.1.11NA
140.0601yiqA0.4235.750.0360.7371.1.99.-NA
150.0601z1wA0.4055.680.0420.7053.4.11.-NA
160.0602qt6A0.4076.080.0350.7471.10.3.2NA
170.0601ox4B0.4125.780.0380.7104.1.3.-83
180.0601kbpA0.4066.110.0400.7473.1.3.2NA
190.0601gw0A0.4096.030.0300.7421.10.3.2NA

(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
00.230.5263.150.170.642i13B GO:0000977 GO:0003676 GO:0003677 GO:0003700 GO:0005634 GO:0006351 GO:0006355 GO:0007275 GO:0007283 GO:0030154 GO:0046872
10.140.5783.100.160.692i13A GO:0000977 GO:0003676 GO:0003677 GO:0003700 GO:0005634 GO:0006351 GO:0006355 GO:0007275 GO:0007283 GO:0030154 GO:0046872
20.070.3601.890.190.391p47A GO:0000122 GO:0000976 GO:0000977 GO:0000982 GO:0001077 GO:0003676 GO:0003677 GO:0003700 GO:0005634 GO:0005654 GO:0005737 GO:0006351 GO:0006355 GO:0006366 GO:0009749 GO:0030217 GO:0030509 GO:0032868 GO:0033233 GO:0035035 GO:0035914 GO:0042981 GO:0043565 GO:0044212 GO:0045893 GO:0045944 GO:0046872 GO:0061418 GO:0070498 GO:0071310 GO:0071480 GO:0071504 GO:0071506 GO:0072110 GO:0072303 GO:0090090
30.070.4412.390.190.515egbA GO:0003676 GO:0005622 GO:0005634 GO:0005654 GO:0005694 GO:0006311 GO:0006351 GO:0006355 GO:0008168 GO:0010845 GO:0016568 GO:0016740 GO:0018024 GO:0032259 GO:0034968 GO:0046872 GO:0051321
40.060.4223.020.130.522gliA GO:0000977 GO:0000978 GO:0001649 GO:0003676 GO:0003677 GO:0003682 GO:0003705 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0005929 GO:0005930 GO:0006351 GO:0006355 GO:0007224 GO:0007275 GO:0007283 GO:0007418 GO:0008017 GO:0008284 GO:0008589 GO:0009611 GO:0009913 GO:0009953 GO:0009954 GO:0021696 GO:0021938 GO:0021983 GO:0030154 GO:0030324 GO:0030335 GO:0043231 GO:0043565 GO:0044212 GO:0045667 GO:0045740 GO:0045880 GO:0045893 GO:0045944 GO:0046872 GO:0048546 GO:0060032 GO:0060070 GO:0072372 GO:0090090 GO:0097421 GO:0097542 GO:0097546 GO:2000345
50.060.3702.820.120.442jp9A GO:0000122 GO:0001077 GO:0001570 GO:0001657 GO:0001658 GO:0001822 GO:0003156 GO:0003676 GO:0003677 GO:0003700 GO:0003723 GO:0005634 GO:0005654 GO:0005730 GO:0005737 GO:0006351 GO:0006355 GO:0006357 GO:0006366 GO:0007281 GO:0007356 GO:0007507 GO:0007530 GO:0008270 GO:0008285 GO:0008380 GO:0008406 GO:0008584 GO:0009888 GO:0016607 GO:0017148 GO:0030308 GO:0030325 GO:0030539 GO:0030855 GO:0032835 GO:0032836 GO:0035802 GO:0043010 GO:0043065 GO:0043066 GO:0043565 GO:0044212 GO:0045892 GO:0045893 GO:0045944 GO:0046872 GO:0060231 GO:0060421 GO:0060539 GO:0060923 GO:0061032 GO:0070742 GO:0071320 GO:0071371 GO:0072075 GO:0072112 GO:0072166 GO:0072207 GO:0072284 GO:0072302 GO:2000020 GO:2000195 GO:2001076
60.060.3765.740.030.654g9iA GO:0003725 GO:0008270 GO:0016743 GO:0046872 GO:0046944
70.060.3562.220.170.401g2dC GO:0000122 GO:0000976 GO:0000977 GO:0000982 GO:0001077 GO:0003676 GO:0003677 GO:0003700 GO:0005634 GO:0005654 GO:0005737 GO:0006351 GO:0006355 GO:0006366 GO:0009749 GO:0030217 GO:0030509 GO:0032868 GO:0033233 GO:0035035 GO:0035914 GO:0042981 GO:0043565 GO:0044212 GO:0045893 GO:0045944 GO:0046872 GO:0061418 GO:0070498 GO:0071310 GO:0071480 GO:0071504 GO:0071506 GO:0072110 GO:0072303 GO:0090090
80.060.3532.940.070.411tf6D GO:0003676 GO:0003677 GO:0003723 GO:0005634 GO:0006351 GO:0006355 GO:0046872
90.060.3551.900.190.391meyF
100.060.4102.880.140.491ubdC GO:0000122 GO:0000400 GO:0000724 GO:0001078 GO:0001158 GO:0003676 GO:0003677 GO:0003700 GO:0003713 GO:0003714 GO:0003723 GO:0005634 GO:0006281 GO:0006310 GO:0006351 GO:0006355 GO:0006357 GO:0006974 GO:0007283 GO:0008270 GO:0010225 GO:0010629 GO:0016363 GO:0030154 GO:0031011 GO:0034644 GO:0044212 GO:0046332 GO:0046872
110.060.3372.040.160.382kmkA GO:0000122 GO:0001078 GO:0003676 GO:0003677 GO:0005634 GO:0006351 GO:0006355 GO:0010956 GO:0010977 GO:0016363 GO:0016604 GO:0017053 GO:0030097 GO:0030099 GO:0034121 GO:0044212 GO:0045892 GO:0046872 GO:0050767 GO:0051569 GO:0070105 GO:0071222
120.060.3516.520.050.703tsqA GO:0003725 GO:0008270 GO:0016743 GO:0046872 GO:0046944
130.060.3503.590.090.442lt7A GO:0003676 GO:0003677 GO:0005634 GO:0005654 GO:0005730 GO:0005737 GO:0005886 GO:0006351 GO:0006355 GO:0008327 GO:0016055 GO:0035556 GO:0043565 GO:0045892 GO:0046872
140.060.2483.690.110.321x6hA GO:0000122 GO:0000775 GO:0000793 GO:0000978 GO:0001078 GO:0001228 GO:0003676 GO:0003677 GO:0003682 GO:0003700 GO:0003714 GO:0005634 GO:0005654 GO:0005694 GO:0005730 GO:0006306 GO:0006349 GO:0006351 GO:0006355 GO:0006366 GO:0007059 GO:0008270 GO:0010216 GO:0010628 GO:0010629 GO:0016568 GO:0016584 GO:0031060 GO:0035065 GO:0040029 GO:0040030 GO:0043035 GO:0043565 GO:0044212 GO:0045892 GO:0045893 GO:0045944 GO:0046872 GO:0070602
150.060.2332.200.140.261f2iG GO:0000122 GO:0000976 GO:0000977 GO:0000982 GO:0001077 GO:0003676 GO:0003677 GO:0003700 GO:0005634 GO:0005654 GO:0005737 GO:0006351 GO:0006355 GO:0006366 GO:0009749 GO:0030217 GO:0030509 GO:0032868 GO:0033233 GO:0035035 GO:0035914 GO:0042981 GO:0043565 GO:0044212 GO:0045893 GO:0045944 GO:0046872 GO:0061418 GO:0070498 GO:0071310 GO:0071480 GO:0071504 GO:0071506 GO:0072110 GO:0072303 GO:0090090
160.060.2134.780.040.332dlqA GO:0003676 GO:0003677 GO:0005634 GO:0005654 GO:0005737 GO:0006351 GO:0006355 GO:0046872
170.060.2462.420.180.284m9vC GO:0000122 GO:0003676 GO:0003677 GO:0005622 GO:0005634 GO:0005720 GO:0006349 GO:0006351 GO:0006355 GO:0007275 GO:0043045 GO:0046872
180.060.2342.130.140.261llmC GO:0000122 GO:0000790 GO:0000976 GO:0000977 GO:0000978 GO:0000981 GO:0000982 GO:0001077 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003676 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005654 GO:0005667 GO:0005737 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0009749 GO:0010691 GO:0030217 GO:0030509 GO:0032868 GO:0033233 GO:0035035 GO:0035914 GO:0042802 GO:0042981 GO:0043565 GO:0044212 GO:0045893 GO:0045899 GO:0045944 GO:0046872 GO:0060261 GO:0061418 GO:0070498 GO:0071310 GO:0071480 GO:0071504 GO:0071506 GO:0072110 GO:0072303 GO:0090090 GO:1903833


Consensus prediction of GO terms
 
Molecular Function GO:0046872 GO:0000977 GO:0003700
GO-Score 0.47 0.42 0.39
Biological Processes GO:0006355 GO:0030154 GO:0007275 GO:0007283
GO-Score 0.47 0.38 0.38 0.38
Cellular Component GO:0031981
GO-Score 0.40

(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.