[Home] [Server] [Queue] [About] [Remove] [Statistics]

I-TASSER results for job id S773676

(Click on S773676_results.tar.bz2 to download the tarball file including all modeling results listed on this page. Click on Annotation of I-TASSER Output to read the instructions for how to interpret the results on this page. Model results are kept on the server for 60 days, there is no way to retrieve the modeling data older than 2 months)

  Submitted Sequence in FASTA format

>protein
MGSKAKKRVLLPTRPAPPTVEQILEDVRGAPAEDPVFTILAPEDPPVPFRMMEDAEAPGE
QLYQQSRAYVAANQRLQQAGNPRLPPQADLSGPAGLGSAQGGLHPGFPWGSVGPRLAFTG
SQPTWVLTQAPLLMLGLRFIRRLIHAELVGPTQLAPSCVT

  Predicted Secondary Structure

Sequence                  20                  40                  60                  80                 100                 120                 140                 160
                   |                   |                   |                   |                   |                   |                   |                   |
MGSKAKKRVLLPTRPAPPTVEQILEDVRGAPAEDPVFTILAPEDPPVPFRMMEDAEAPGEQLYQQSRAYVAANQRLQQAGNPRLPPQADLSGPAGLGSAQGGLHPGFPWGSVGPRLAFTGSQPTWVLTQAPLLMLGLRFIRRLIHAELVGPTQLAPSCVT
PredictionCCCCCCCCCCCCCCCCCCCHHHHHHHHHCCCCCCCSSSSCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHCCCCCCCCCCCCCCCSSSCCCCCCSSSSCCHHHHHHHHHHHHHHHHHHCCCCCCCCCCCC
Conf.Score9865565015899978898899999983699889547740676788775555664007999999999999999999997557889999999981411321577799976676763453279971553105599999999999999987084224765459
H:Helix; S:Strand; C:Coil

  Predicted Solvent Accessibility

Sequence                  20                  40                  60                  80                 100                 120                 140                 160
                   |                   |                   |                   |                   |                   |                   |                   |
MGSKAKKRVLLPTRPAPPTVEQILEDVRGAPAEDPVFTILAPEDPPVPFRMMEDAEAPGEQLYQQSRAYVAANQRLQQAGNPRLPPQADLSGPAGLGSAQGGLHPGFPWGSVGPRLAFTGSQPTWVLTQAPLLMLGLRFIRRLIHAELVGPTQLAPSCVT
Prediction7644454414124446234154014205714762200302335443465544554645244104303311401530463475404631541442424244321233132242233111336323110241212110131033103241223342344138
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)


  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		Iden1Iden2CovNorm.
Z-score		Download
Align.		                   20                  40                  60                  80                 100                 120                 140                 160
                   |                   |                   |                   |                   |                   |                   |                   |
Sec.Str
Seq		CCCCCCCCCCCCCCCCCCCHHHHHHHHHCCCCCCCSSSSCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHCCCCCCCCCCCCCCCSSSCCCCCCSSSSCCHHHHHHHHHHHHHHHHHHCCCCCCCCCCCC
MGSKAKKRVLLPTRPAPPTVEQILEDVRGAPAEDPVFTILAPEDPPVPFRMMEDAEAPGEQLYQQSRAYVAANQRLQQAGNPRLPPQADLSGPAGLGSAQGGLHPGFPWGSVGPRLAFTGSQPTWVLTQAPLLMLGLRFIRRLIHAELVGPTQLAPSCVT
15tlcA 0.18 0.21 0.82 1.04Download ------------TYYPPYHVARVFATLDNLSDGRISWNVVTSLNDSEARNFGVDEHLEHDIRYDRADEFLEAVKKLWSSSEDALLLDKVGGRFADPKKVQYVNHRGRWLSVRGPLQVPRSRQGEPVILQAGLSPRGRRFAGRW-----------------
28g04A 0.12 0.26 0.84 0.66Download ---------PAPPACDLRVLSKLLRDSHVLPLPTPV-LLPAVDFSLGEWKTQM-EETKAQDILGAVTLLLEGVMAARGQLGPTLGQLSGQVRLLLGALQSLLGTQLPPQGRT-----TAHKDP------NAIFLSFQHLLRGKVRFLMLVGGSTL--CV-
34mhlA 0.19 0.24 0.93 0.65Download -DPRAEDSTVLLTRSLLADTRQLAAQLRDKFPADGDHNLDSLPTLAMSALGALQLPGVLTRLRADLLSYLRHVQWLRRAGGSSLKTLEPELGTLQARLDRLLSRLALPQDPPAPPLAPPSSA--WGGIRAGGLHLTLDWAVRGLLLLK---TRL------
42y0n 0.28 0.19 0.16 0.72Download ---RRKRLVKLPC---QTNIITILESYVKHF---------------------------------------------------------------------------------------------------------------------------------
53sztA 0.15 0.19 0.89 0.49Download -----REGYLLSRITTEEEFFSLVLEICGNYGFE-SFGARAPFPLTAPKYHFSNYPGEWKSRYISED-YTSIDPIVRHGLLEYTPENRFFWEEA---LHHG-IRHGWKYGLIS--LSLVRSSESIAATEILEKESFLLWITSMLQATF--PRIVPES---
64mhlA 0.13 0.24 0.93 0.84Download ------DSTVLLTRSLLADTRQLAAQLRDKFPADGDHNLDSLPTLAMSALGALQLPGVLTRLRADLLSYLRHVQWLRRAGGSSLKTLEPELGTLQARLDRLLRRLQLLMSRLAPAPPLAPPSSAWGIRAAHAILGGLHLTLDWAVRGLLLLKTRL-----
72pffA 0.14 0.26 1.00 0.91Download VTSKQVSTLVPFNQGSKQDVEALIEFIYDTEKLDAIIPFAAIPEQGIELEHIDSKSEFAHRIMLNILRMMGCVKKQKSARGIETRPQVILPMSPNYSESSWANGAIIGWTRGTGEGVRTFSQKEMAFNLLGLLTPEVVCQKSPVMADLNGGLQFVPELKE
84bklE 0.48 0.07 0.16 0.32Download -----------P--PGPP----------GMPGERGAAGIAGPKGPPGP----------------------------------------------------------------------------------------------------------------
92pffA 0.14 0.26 0.87 0.61Download VTSKQGSTVVPFNQGSKQDVEALIEFIYDTEKLDAIIPFAAIPEQG-IELEHIDS------KSEFAHRIMLTNILRMMQKS-ARGTMYSESKLSLETLFNRWHSE--SWANQLTVCVRTFSQKEMAFNL-----------LGLLTPEVVELCQKSPVMAD
107qdpA 0.11 0.17 0.84 0.78Download RGSHMTQDCSFQHSPISSDFAVKIRELSDYLLQDYPVTVASNLQD--------EELCGGLWRLVLAQRWM---ERLKTVAGSKMQGLLERVNTEIHFVTKCAFQPPPSCLR---------------FVQTNISRLLQETSEQLVALKPWITRQLELQCQP
(a)All the residues are colored in black; however, those residues in template which are identical to the residue in the query sequence are highlighted in color. Coloring scheme is based on the property of amino acids, where polar are brightly coloured while non-polar residues are colored in dark shade. (more about the colors used)
(b)Rank of templates represents the top ten threading templates used by I-TASSER.
(c)Ident1 is the percentage sequence identity of the templates in the threading aligned region with the query sequence.
(d)Ident2 is the percentage sequence identity of the whole template chains with query sequence.
(e)Cov represents the coverage of the threading alignment and is equal to the number of aligned residues divided by the length of query protein.
(f)Norm. Z-score is the normalized Z-score of the threading alignments. Alignment with a Normalized Z-score >1 mean a good alignment and vice versa.
(g)Download Align. provides the 3D structure of the aligned regions of the threading templates.
(h)The top 10 alignments reported above (in order of their ranking) are from the following threading programs:
       1: FFAS-3D   2: SPARKS-X   3: SP3   4: HHSEARCH   5: wdPPAS   6: Neff-PPAS   7: HHSEARCH2   8: pGenTHREADER   9: HHSEARCH I   10: PROSPECT2   

   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.)
    (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)
  • Download Model 1
  • C-score=-2.37 (Read more about C-score)
  • Estimated TM-score = 0.44±0.14
  • Estimated RMSD = 10.2±4.6Å

  • Download Model 2
  • C-score = -3.66

  • Download Model 3
  • C-score = -4.57

  • Download Model 4
  • C-score = -4.67

  • Download Model 5
  • C-score = -4.03


  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

Click
to view		RankPDB HitTM-scoreRMSDaIDENaCovAlignment
14mhlA0.814 2.440.1130.944Download
28d7hD0.782 2.630.0980.956Download
31rw5A0.746 3.300.0630.994Download
43ew3A0.745 3.240.0580.975Download
51f6fA0.728 3.010.0670.931Download
61il6A0.727 2.500.0850.887Download
77u7nD0.717 3.340.0960.925Download
81bgeA0.717 2.840.1120.894Download
93d48P0.713 3.270.0600.931Download
103d87A0.706 3.010.0680.894Download

(a)Query structure is shown in cartoon, while the structural analog is displayed using backbone trace.
(b)Ranking of proteins is based on TM-score of the structural alignment between the query structure and known structures in the PDB library.
(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 the alignment by TM-align and is equal to the number of structurally aligned residues divided by length of the query protein.


  Predicted function using COFACTOR and COACH

(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


Click
to view		RankC-scoreCluster
size		 PDB
Hit		 Lig
Name		 Download
Complex		 Ligand Binding Site Residues
10.10 6 4ni9C Nuc.Acid Rep, Mult 8,11,12,14,15,17,18,92,96,97,100,103,104,107,141,145,148
20.05 3 1t0sB BML Rep, Mult 70,71,74,95,99,102
30.05 3 4ni9A Nuc.Acid Rep, Mult 61,62,63,64,65
40.03 2 3n6hB MG N/A 34,43,44,73
50.03 2 3q3mB Z82 Rep, Mult 31,32,34,35,36,37,131


Download the residue-specific ligand binding probability, which is estimated by SVM.
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


Click
to view		RankCscoreECPDB
Hit		TM-scoreRMSDaIDENaCovEC NumberActive Site Residues
10.1381syyA0.587 3.500.0440.775 1.17.4.1  NA
20.1351uzrB0.559 3.850.0500.781 1.17.4.1  NA
30.1353hf1B0.574 3.660.0190.781 1.17.4.1  NA
40.1323ee4A0.559 3.700.0630.775 1.17.4.1  NA
50.1311fziA0.561 3.950.0450.781 1.14.13.25  NA

 Click on the radio buttons to visualize predicted active site residues.
(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
Top 10 homologous GO templates in PDB 
RankCscoreGOTM-scoreRMSDaIDENaCovPDB HitAssociated GO Terms
1 0.200.7456 3.30 0.06 0.991rw5A GO:0005576 GO:0040014 GO:0046427 GO:0005829 GO:0007166 GO:0005148 GO:0007565 GO:0007595 GO:0008283 GO:0005179
2 0.190.6289 2.61 0.10 0.761cntA GO:0046668 GO:0048666 GO:0008083 GO:0008284 GO:0014068 GO:0005127 GO:0060081 GO:0005515 GO:0005634 GO:0043231 GO:0007399 GO:0007259 GO:0030307 GO:0043526 GO:0005138 GO:0042517 GO:0005615 GO:0007165 GO:0043524 GO:0051291 GO:0007275 GO:0060075 GO:0043025 GO:0046887 GO:0005737 GO:0005829 GO:0043410 GO:0046427 GO:0048644 GO:0030424 GO:0046533 GO:0048143 GO:0032838 GO:0070120 GO:0030154 GO:0005125 GO:0048680 GO:0040007
3 0.190.7168 2.84 0.11 0.891bgeA GO:0006955 GO:0005576 GO:0008083 GO:0019899 GO:0005125 GO:0005615
4 0.190.7454 3.24 0.06 0.973ew3A GO:0005576 GO:0040014 GO:0046427 GO:0005829 GO:0007166 GO:0005148 GO:0007565 GO:0007595 GO:0008283 GO:0005179
5 0.180.7275 3.01 0.07 0.931f6fA GO:0005179 GO:0005576
6 0.170.7272 2.50 0.09 0.891il6A GO:0005125 GO:0005138 GO:0005576 GO:0006955
7 0.170.6895 3.39 0.10 0.931gncA GO:0005130 GO:0008284 GO:0005125 GO:0005576 GO:0005615 GO:0007275 GO:0019899 GO:0030851 GO:0019221 GO:0008083 GO:0006955
8 0.160.6092 2.62 0.10 0.741cntA GO:0046668 GO:0048666 GO:0008083 GO:0008284 GO:0014068 GO:0005127 GO:0060081 GO:0005515 GO:0005634 GO:0043231 GO:0007399 GO:0007259 GO:0030307 GO:0043526 GO:0005138 GO:0042517 GO:0005615 GO:0007165 GO:0043524 GO:0051291 GO:0007275 GO:0060075 GO:0043025 GO:0046887 GO:0005737 GO:0005829 GO:0043410 GO:0046427 GO:0048644 GO:0030424 GO:0046533 GO:0048143 GO:0032838 GO:0070120 GO:0030154 GO:0005125 GO:0048680 GO:0040007
9 0.160.7059 3.01 0.07 0.893d87A GO:0005576 GO:0045087 GO:0070743 GO:0042510 GO:0032760 GO:2000330 GO:0006954 GO:0009615 GO:0032740 GO:0001916 GO:0042098 GO:0090023 GO:0010535 GO:0042104 GO:0034105 GO:0005515 GO:0048771 GO:0032816 GO:0002460 GO:0050829 GO:0042346 GO:0050729 GO:2000318 GO:0005125 GO:0002230 GO:0045519 GO:0032735 GO:0032725 GO:0051135 GO:0032729 GO:0042523 GO:0005615 GO:0032693 GO:0042102 GO:0032819 GO:0042517 GO:0002295 GO:0045672 GO:0032733 GO:0043382 GO:0005126 GO:0051142 GO:0042520 GO:0002827 GO:0006955
10 0.160.6966 2.95 0.12 0.891bgcA GO:0005615 GO:0019899 GO:0005125 GO:0008083 GO:0005576 GO:0006955


Consensus prediction of GO terms		 
Molecular Function GO:0005179 GO:0070851 GO:0005148 GO:0008083 GO:0005125
GO-Score 0.47 0.38 0.35 0.35 0.35
Biological Process GO:0046666 GO:0046883 GO:0014002 GO:0043408 GO:0048679 GO:0007517 GO:0046532 GO:2000027 GO:0042531 GO:0051047
GO-Score 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38
Cellular Component GO:0005829 GO:0043229 GO:0044463 GO:0043227 GO:0044297 GO:0043005 GO:0005615
GO-Score 0.48 0.38 0.38 0.38 0.38 0.38 0.35

(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 S773676_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.