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I-TASSER results for job id Rv0200

[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
10.15 8 3ov4C EQU Rep, Mult 117,151,189,191,193,203,205,207,223,228
20.04 2 4f8hA LMD Rep, Mult 84,87
30.04 2 2c88A NA Rep, Mult 73,74,75,76
40.04 2 2q69A CA Rep, Mult 63,64,65
50.04 2 5ezmA MPG Rep, Mult 113,116
60.02 1 3attA MG Rep, Mult 53,67
70.02 1 3c9iE XE Rep, Mult 187,207
80.02 1 3b6cA SDN Rep, Mult 22,25,27,42,46,69,70,72
90.02 1 1dlmB LIO Rep, Mult 78,123
100.02 1 3ar3A PTY Rep, Mult 83,86,90,94
110.02 1 3k7tA GP7 Rep, Mult 71,72
120.02 1 3udtB MG Rep, Mult 184,222
130.02 1 2vn9A GVD Rep, Mult 171,172,173,188,205,207,227
140.02 1 4akyA 4LL Rep, Mult 121,122,123,124,148,158,191,205,225
150.02 1 3hxtA MG Rep, Mult 211,213

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
10.0602v7oA0.3215.480.0240.5072.7.11.17NA
20.0601ethA0.4225.570.0450.7033.1.1.3NA
30.0602vf4X0.4205.220.0410.6772.6.1.16119
40.0602vxoB0.4335.910.0580.7606.3.5.2NA
50.0601eulA0.4405.660.0320.7293.6.3.8NA
60.0601lpaB0.4235.600.0510.7073.1.1.3107,113
70.0603ixzA0.4575.570.0740.7643.6.3.10NA
80.0602vk6A0.4225.490.0570.6723.2.1.18NA
90.0601oygA0.4555.010.0360.7072.4.1.10NA
100.0601f1uA0.4225.940.0450.7421.13.11.15NA
110.0601t3qB0.4305.820.0860.7381.3.99.17NA
120.0601ezmA0.4295.650.0350.7163.4.24.26NA
130.0601hplA0.4125.950.0560.6993.1.1.3NA
140.0601n1hA0.4305.010.0340.6682.7.7.48119
150.0601y9mA0.3785.480.0510.6113.2.1.80NA
160.0602gtqA0.4226.060.0550.7343.4.11.2NA
170.0601sqdA0.4365.790.0630.7551.13.11.27132
180.0603cskA0.4595.390.0320.7553.4.14.4167
190.0602j5wA0.4266.320.0640.7901.16.3.1NA

(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
00.140.4962.070.110.553wz4G GO:0016020 GO:0016021
10.100.4213.370.150.532ux0A GO:0000082 GO:0000165 GO:0000166 GO:0004672 GO:0004674 GO:0004683 GO:0004723 GO:0005088 GO:0005516 GO:0005524 GO:0005654 GO:0005829 GO:0005886 GO:0006468 GO:0006470 GO:0006816 GO:0007275 GO:0007399 GO:0014733 GO:0016020 GO:0016301 GO:0016310 GO:0016529 GO:0016740 GO:0030073 GO:0030154 GO:0030666 GO:0033017 GO:0042803 GO:0043547 GO:0046777 GO:0051259 GO:0051924 GO:0060333 GO:0097481 GO:1900034 GO:1901897
20.080.4193.140.100.525ig4E GO:0000166 GO:0004672 GO:0004674 GO:0004683 GO:0005516 GO:0005524 GO:0006468 GO:0016301 GO:0016310 GO:0016740
30.070.4854.520.090.673soaA GO:0000082 GO:0000165 GO:0000166 GO:0002931 GO:0004672 GO:0004674 GO:0004683 GO:0005088 GO:0005516 GO:0005524 GO:0005634 GO:0005654 GO:0005739 GO:0005829 GO:0005886 GO:0006468 GO:0006816 GO:0007223 GO:0010666 GO:0016020 GO:0016301 GO:0016310 GO:0016740 GO:0018105 GO:0030054 GO:0030666 GO:0035254 GO:0038166 GO:0042734 GO:0042803 GO:0043547 GO:0045202 GO:0046777 GO:0046928 GO:0048168 GO:0051092 GO:0051928 GO:0060333 GO:0097481 GO:1900034 GO:1902108
40.070.4734.220.070.644xzzA GO:0016740
50.060.4473.400.150.575ig5F GO:0000166 GO:0004672 GO:0004674 GO:0004683 GO:0005516 GO:0005524 GO:0006468 GO:0016301 GO:0016310 GO:0016740
60.060.4163.120.110.512f86B GO:0000165 GO:0000166 GO:0004672 GO:0004674 GO:0004683 GO:0005516 GO:0005524 GO:0005737 GO:0006468 GO:0010628 GO:0016301 GO:0016310 GO:0016740 GO:0018105 GO:0018107 GO:0030424 GO:0042995 GO:0043005 GO:0043204 GO:0044325 GO:0046872 GO:0072375 GO:1904115
70.060.4103.320.090.515ig0A GO:0000166 GO:0004672 GO:0004674 GO:0004683 GO:0005516 GO:0005524 GO:0006468 GO:0016301 GO:0016310 GO:0016740
80.060.4233.190.110.533h51A GO:0004683 GO:0005516 GO:0006468
90.060.4143.160.090.522w2cH GO:0000082 GO:0000165 GO:0000166 GO:0001558 GO:0001666 GO:0002026 GO:0002028 GO:0003254 GO:0004672 GO:0004674 GO:0004683 GO:0005088 GO:0005516 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0005886 GO:0006357 GO:0006468 GO:0006816 GO:0008016 GO:0010389 GO:0010613 GO:0010649 GO:0010666 GO:0010880 GO:0010881 GO:0014704 GO:0014911 GO:0016020 GO:0016301 GO:0016310 GO:0016529 GO:0016740 GO:0018105 GO:0018107 GO:0019871 GO:0030007 GO:0030315 GO:0030666 GO:0031432 GO:0031594 GO:0032469 GO:0033017 GO:0034704 GO:0035022 GO:0042383 GO:0042803 GO:0043025 GO:0043194 GO:0043234 GO:0043547 GO:0044325 GO:0046777 GO:0048471 GO:0048661 GO:0050998 GO:0051259 GO:0055119 GO:0060048 GO:0060314 GO:0060333 GO:0060341 GO:0061049 GO:0070374 GO:0071277 GO:0086003 GO:0086091 GO:0098901 GO:0098909 GO:1900034 GO:1901725 GO:1901844 GO:1901897 GO:1902306 GO:1902514 GO:2000650
100.060.2885.860.050.483nr9B GO:0000166 GO:0004672 GO:0004674 GO:0004712 GO:0004713 GO:0005524 GO:0005634 GO:0005654 GO:0006468 GO:0010033 GO:0010212 GO:0016301 GO:0016310 GO:0016607 GO:0016740 GO:0018108 GO:0032526 GO:0043484 GO:0045721 GO:0046777
110.060.3606.150.050.651qcfA GO:0000166 GO:0002376 GO:0002522 GO:0002758 GO:0004672 GO:0004713 GO:0004715 GO:0005102 GO:0005524 GO:0005634 GO:0005737 GO:0005764 GO:0005794 GO:0005829 GO:0005856 GO:0005884 GO:0005886 GO:0005901 GO:0005925 GO:0006468 GO:0006887 GO:0006909 GO:0006954 GO:0007155 GO:0007169 GO:0007229 GO:0007498 GO:0008284 GO:0008360 GO:0016020 GO:0016023 GO:0016032 GO:0016301 GO:0016310 GO:0016740 GO:0018108 GO:0019221 GO:0030054 GO:0030133 GO:0030154 GO:0030838 GO:0031234 GO:0031410 GO:0031663 GO:0038083 GO:0038096 GO:0042995 GO:0043066 GO:0043299 GO:0045087 GO:0045728 GO:0046777 GO:0050690 GO:0050727 GO:0050764 GO:0051090 GO:0060333 GO:0071801 GO:2000251
120.060.3385.370.050.543my0N GO:0000166 GO:0001525 GO:0001701 GO:0001936 GO:0001937 GO:0001938 GO:0001946 GO:0001955 GO:0001974 GO:0002043 GO:0004672 GO:0004674 GO:0004675 GO:0004702 GO:0005024 GO:0005025 GO:0005524 GO:0005886 GO:0005887 GO:0006275 GO:0006355 GO:0006468 GO:0007162 GO:0007165 GO:0007178 GO:0007179 GO:0008015 GO:0008217 GO:0008285 GO:0009986 GO:0010596 GO:0010862 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016361 GO:0016740 GO:0019901 GO:0023014 GO:0030308 GO:0030336 GO:0030425 GO:0030509 GO:0030513 GO:0032332 GO:0032924 GO:0035313 GO:0043025 GO:0043535 GO:0043537 GO:0045602 GO:0045603 GO:0045766 GO:0045893 GO:0045944 GO:0046332 GO:0046872 GO:0048185 GO:0048514 GO:0050431 GO:0051291 GO:0051895 GO:0060836 GO:0060840 GO:0060841 GO:0061154 GO:0061298 GO:0071560 GO:0071773 GO:0098821 GO:2000279
130.060.2905.780.070.484wb7A GO:0000086 GO:0000166 GO:0001671 GO:0001707 GO:0001843 GO:0002027 GO:0002223 GO:0003091 GO:0004672 GO:0004674 GO:0004691 GO:0004712 GO:0005524 GO:0005634 GO:0005654 GO:0005730 GO:0005737 GO:0005739 GO:0005794 GO:0005813 GO:0005829 GO:0005886 GO:0005913 GO:0005929 GO:0005952 GO:0006397 GO:0006457 GO:0006468 GO:0006986 GO:0007596 GO:0008284 GO:0010881 GO:0016020 GO:0016301 GO:0016310 GO:0016607 GO:0016740 GO:0018105 GO:0018107 GO:0019901 GO:0030544 GO:0031514 GO:0031588 GO:0031594 GO:0031625 GO:0032403 GO:0032781 GO:0034199 GO:0034237 GO:0034704 GO:0035584 GO:0042157 GO:0042995 GO:0043005 GO:0043234 GO:0043393 GO:0043457 GO:0044853 GO:0045667 GO:0046777 GO:0046827 GO:0048240 GO:0048471 GO:0050804 GO:0051082 GO:0051085 GO:0051087 GO:0051117 GO:0051447 GO:0051480 GO:0051966 GO:0055117 GO:0060314 GO:0061136 GO:0070062 GO:0070389 GO:0070613 GO:0071158 GO:0071333 GO:0071374 GO:0071377 GO:0071872 GO:0086064 GO:0090084 GO:0097225 GO:0097546 GO:0098609 GO:0098641 GO:1900034 GO:1901621 GO:1903779 GO:2000810
140.060.3605.370.040.574nifA GO:0000166 GO:0000287 GO:0004672 GO:0004674 GO:0004712 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0006468 GO:0006915 GO:0007049 GO:0007165 GO:0016301 GO:0016310 GO:0016740 GO:0030307 GO:0035556 GO:0043027 GO:0043066 GO:0043154 GO:0043555 GO:0043620 GO:0045597 GO:0045944 GO:0046872 GO:0072574 GO:2000491
150.060.3376.410.060.624y5sA GO:0016491 GO:0051213 GO:0055114 GO:1902181
160.060.3555.350.060.564d9uA GO:0000166 GO:0000287 GO:0001501 GO:0002224 GO:0004672 GO:0004674 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0006468 GO:0006915 GO:0007049 GO:0007165 GO:0007417 GO:0016301 GO:0016310 GO:0016740 GO:0019901 GO:0030307 GO:0032496 GO:0035556 GO:0043027 GO:0043066 GO:0043154 GO:0043555 GO:0043620 GO:0045597 GO:0045944 GO:0046872
170.060.3286.200.020.591q8zB GO:0000166 GO:0004672 GO:0004674 GO:0005524 GO:0005737 GO:0006376 GO:0006468 GO:0006873 GO:0016301 GO:0016310 GO:0016740 GO:0030003 GO:0042307 GO:0042493
180.060.3775.390.050.604ix3B GO:0000166 GO:0004672 GO:0005524 GO:0006468


Consensus prediction of GO terms
 
Molecular Function GO:0004674 GO:0035639 GO:0032550 GO:0032559 GO:0046983 GO:0042802 GO:0005085
GO-Score 0.45 0.45 0.45 0.45 0.31 0.31 0.31
Biological Processes GO:0071346 GO:0034605 GO:0043087 GO:0019221 GO:0044772 GO:0023014 GO:0080135 GO:0035556 GO:0044843 GO:0051345 GO:0070838
GO-Score 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31
Cellular Component GO:0031981 GO:0030139 GO:0098805 GO:0097458 GO:0098588 GO:0099572 GO:0030659 GO:0071944 GO:0060076
GO-Score 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31

(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.