I-TASSER results for job id S773867
| Submitted Sequence in FASTA format |
| >protein MAHAGRTGYDNGEIVMKYIHYKLSQRGYEWDAGDVGAAPPGAAPAPGIFSSQPGHTPHPA ASRDPVARTSPLQTPAAPGAAAGPALSPVPPVVHLTLRQAGDDFSRRYRRDFAEMSSQLH LTPFTARGRFATVVEELFRDGVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEY LNRHLHTWIQDNGGWDAFVELYGPSMRPLFDFSWLSLKTLLSLALVGACITLGAYLGHK |
| Predicted Secondary Structure |
| 20 40 60 80 100 120 140 160 180 200 220 | | | | | | | | | | | MAHAGRTGYDNGEIVMKYIHYKLSQRGYEWDAGDVGAAPPGAAPAPGIFSSQPGHTPHPAASRDPVARTSPLQTPAAPGAAAGPALSPVPPVVHLTLRQAGDDFSRRYRRDFAEMSSQLHLTPFTARGRFATVVEELFRDGVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSMRPLFDFSWLSLKTLLSLALVGACITLGAYLGHK | |
| CCCCCCCCCCHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHCCC | |
| 99876578507999999999987306986665567889998889988777788876564323354333565335443346689877864789999999999999999899999999972899860999999999999348985899999999999999999982787899999999999999889999887688999999977886442103379999999999999999999995019 | |
| H:Helix; S:Strand; C:Coil | |
| Predicted Solvent Accessibility |
| 20 40 60 80 100 120 140 160 180 200 220 | | | | | | | | | | | MAHAGRTGYDNGEIVMKYIHYKLSQRGYEWDAGDVGAAPPGAAPAPGIFSSQPGHTPHPAASRDPVARTSPLQTPAAPGAAAGPALSPVPPVVHLTLRQAGDDFSRRYRRDFAEMSSQLHLTPFTARGRFATVVEELFRDGVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSMRPLFDFSWLSLKTLLSLALVGACITLGAYLGHK | |
| 74446634240130013003220244424264574454454444465434544444344444544444434444454454444463443254014003400430264136203400640403462024002300430066403001000000000200220164524610430030003003430252037440042015204343543443223202222131332122112110246 | |
| Values range from 0 (buried residue) to 9 (highly exposed residue) | |
| Predicted normalized B-factor |
(B-factor is a value to indicate the extent of the inherent thermal mobility of residues/atoms in proteins. In I-TASSER, this value is deduced from threading template proteins from the PDB in combination with the sequence profiles derived from sequence databases. The reported B-factor profile in the figure below corresponds to the normalized B-factor of the target protein, defined by B=(B'-u)/s, where B' is the raw B-factor value, u and s are respectively the mean and standard deviation of the raw B-factors along the sequence. Click here to read more about predicted normalized B-factor)
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| Top 10 threading templates used by I-TASSER |
(I-TASSER modeling starts from the structure templates identified by LOMETS from the PDB library. LOMETS is a meta-server threading approach containing multiple threading programs, where each threading program can generate tens of thousands of template alignments. I-TASSER only uses the templates of the highest significance in the threading alignments, the significance of which are measured by the Z-score, i.e. the difference between the raw and average scores in the unit of standard deviation. The templates in this section are the 10 best templates selected from the LOMETS threading programs. Usually, one template of the highest Z-score is selected from each threading program, where the threading programs are sorted by the average performance in the large-scale benchmark test experiments.)
| Rank | PDB Hit | Iden1 | Iden2 | Cov | Norm. Z-score | Download Align. | 20 40 60 80 100 120 140 160 180 200 220 | | | | | | | | | | | | |||||||||||||||||||
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| Sec.Str Seq | CCCCCCCCCCHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHCCC MAHAGRTGYDNGEIVMKYIHYKLSQRGYEWDAGDVGAAPPGAAPAPGIFSSQPGHTPHPAASRDPVARTSPLQTPAAPGAAAGPALSPVPPVVHLTLRQAGDDFSRRYRRDFAEMSSQLHLTPFTARGRFATVVEELFRDGVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSMRPLFDFSWLSLKTLLSLALVGACITLGAYLGHK | |||||||||||||||||||||||||
| 1 | 1g5mA | 0.89 | 0.61 | 0.69 | 2.58 | Download | --HAGRTGYDNREIVMKYIHYKLSQRGYEWDAGDDVEENRTEAPEGTESEV-----------------------------------------VHLALRQAGDDFSRRYRGDFAEMSSQLHLTPFTARGRFATVVEELFRDGVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSMR-------------------------------- | |||||||||||||||||||
| 2 | 8hllB | 0.87 | 0.51 | 0.58 | 1.34 | Download | ------PSQDNREIVMKYISYKLSQRGYEWDAS---------------------------------------------------------EVVHQTLRQAGDDFSLRYRRDFAEMSSQLHLTPGTAYASFATVVEELFRDGVNWGRIVAFFEFGGVMCVESVNREMSVLVDNIAAWMATYLNDHLHTWIQDNGGWDAFVELY------------------------------------- | |||||||||||||||||||
| 3 | 1lxl | 0.44 | 0.43 | 0.87 | 2.58 | Download | --MSMAMSQSNRELVVDFLSYKLSQKGYSWSQFSDVENRT-EAPEGTES--------EMETPSAINGNPSWHLSPAVNGAHSDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAKGQERHHHHHH--------------------- | |||||||||||||||||||
| 4 | 1lxl | 0.43 | 0.43 | 0.91 | 1.85 | Download | MS--MAMSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSNGNPSW---HL-ADS-PAVNGATGHSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERLEHHHHHH--------------- | |||||||||||||||||||
| 5 | 1lxlA | 0.43 | 0.43 | 0.87 | 2.12 | Download | MSM--AMSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAING-NPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAE---------------------------SRK | |||||||||||||||||||
| 6 | 1lxl | 0.43 | 0.43 | 0.86 | 3.00 | Download | ----MAMSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSL-DAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESR---------------------------- | |||||||||||||||||||
| 7 | 1lxlA | 0.43 | 0.43 | 0.86 | 3.71 | Download | --MSMAMSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAV-NGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAH------------------------------ | |||||||||||||||||||
| 8 | 1lxlA | 0.43 | 0.43 | 0.91 | 2.06 | Download | MSMA--MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSW-HLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERLE------------------HHH | |||||||||||||||||||
| 9 | 8wlsA | 0.55 | 0.37 | 0.65 | 1.93 | Download | MSQ------SNRELVVDFLSYKLSQKGYSWSQFSDVEENR-----------------------------------------TEAPEGTESEAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYG------------------------------------ | |||||||||||||||||||
| 10 | 1mazA | 0.59 | 0.37 | 0.60 | 2.73 | Download | ------MSQSNRELVVDFLSYKLSQKGYSWSQFIPM------------------------------------------------------AAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYG------------------------------------ | |||||||||||||||||||
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| 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 a higher value signifies a model with a higher 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.)
- Download Model 1
- C-score=-0.94 (Read more about C-score)
- Estimated TM-score = 0.60±0.14
- Estimated RMSD = 7.8±4.4Å
- Download Model 2
- C-score = -2.27
- Download Model 3
- C-score = -2.46
- Download Model 4
- C-score = -4.21
- Download Model 5
- C-score = -0.77
| (By right-click on the images, you can export image file or change the configurations, e.g. modifying the background color or stopping the spin of your models) | ||||
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| Proteins structurally close to the target in the 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.)
Top 10 Identified stuctural analogs in PDB
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(This section reports biological annotations of the target protein by COFACTOR and COACH based on the I-TASSER structure prediction. While COFACTOR deduces protein functions (ligand-binding sites, EC and GO) using structure comparison and protein-protein networks, COACH is a meta-server approach that combines multiple function annotation results (on ligand-binding sites) from the COFACTOR, TM-SITE and S-SITE programs.)
| Ligand binding sites |
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| Enzyme Commission (EC) numbers and active sites |
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| Gene Ontology (GO) terms |
Consensus prediction of GO terms | ||||||||||||||||||||||||||||||||||||||
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| (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 S773867_results.tar.bz2 to download the tarball file including all modeling results listed on this page]
Please cite the following articles when you use the I-TASSER server:
- Wei Zheng, Chengxin Zhang, Yang Li, Robin Pearce, Eric W. Bell, Yang Zhang. Folding non-homology proteins by coupling deep-learning contact maps with I-TASSER assembly simulations. Cell Reports Methods, 1: 100014 (2021).
- Chengxin Zhang, Peter L. Freddolino, and Yang Zhang. COFACTOR: improved protein function prediction by combining structure, sequence and protein-protein interaction information. Nucleic Acids Research, 45: W291-299 (2017).
- Jianyi Yang, Yang Zhang. I-TASSER server: new development for protein structure and function predictions, Nucleic Acids Research, 43: W174-W181, 2015.