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I-TASSER results for job id S776459

(Click on S776459_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

>seq
MSEFATSRVESGSQQTSIHSTPIVQKLETDESPIQTKSEYTNAELPAKPIAAYWTVICLC
LMIAFGGFVFGWDTGTISGFVNQTDFKRRFGQMKSDGTYYLSDVRTGLIVGIFNIGCAFG
GLTLGRLGDMYGRRIGLMCVVLVYIVGIVIQIASSDKWYQYFIGRIISGMGVGGIAVLSP
TLISETAPKHIRGTCVSFYQLMITLGIFLGYCTNYGTKDYSNSVQWRVPLGLNFAFAIFM
IAGMLMVPESPRFLVEKGRYEDAKRSLAKSNKVTIEDPSIVAEMDTIMANVETERLAGNA
SWGELFSNKGAILPRVIMGIMIQSLQQLTGNNYFFYYGTTIFNAVGMKDSFQTSIVLGIV
NFASTFVALYTVDKFGRRKCLLGGSASMAICFVIFSTVGVTSLYPNGKDQPSSKAAGNVM
IVFTCLFIFFFAISWAPIAYVIVAESYPLRVKNRAMAIAVGANWIWGFLIGFFTPFITSA
IGFSYGYVFMGCLVFSFFYVFFFVCETKGLTLEEVNEMYVEGVKPWKSGSWISKEKRVSE
E

  Predicted Secondary Structure

Sequence                  20                  40                  60                  80                 100                 120                 140                 160                 180                 200                 220                 240                 260                 280                 300                 320                 340                 360                 380                 400                 420                 440                 460                 480                 500                 520                 540
                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   | 
MSEFATSRVESGSQQTSIHSTPIVQKLETDESPIQTKSEYTNAELPAKPIAAYWTVICLCLMIAFGGFVFGWDTGTISGFVNQTDFKRRFGQMKSDGTYYLSDVRTGLIVGIFNIGCAFGGLTLGRLGDMYGRRIGLMCVVLVYIVGIVIQIASSDKWYQYFIGRIISGMGVGGIAVLSPTLISETAPKHIRGTCVSFYQLMITLGIFLGYCTNYGTKDYSNSVQWRVPLGLNFAFAIFMIAGMLMVPESPRFLVEKGRYEDAKRSLAKSNKVTIEDPSIVAEMDTIMANVETERLAGNASWGELFSNKGAILPRVIMGIMIQSLQQLTGNNYFFYYGTTIFNAVGMKDSFQTSIVLGIVNFASTFVALYTVDKFGRRKCLLGGSASMAICFVIFSTVGVTSLYPNGKDQPSSKAAGNVMIVFTCLFIFFFAISWAPIAYVIVAESYPLRVKNRAMAIAVGANWIWGFLIGFFTPFITSAIGFSYGYVFMGCLVFSFFYVFFFVCETKGLTLEEVNEMYVEGVKPWKSGSWISKEKRVSEE
PredictionCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHCCCCCHHHHHCCCHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHCCCCCHHHHHCCCCCHHHHHHHHHHHHHHHHHHCCSSSHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHCCHHHSSSHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHSSSCCCCCCCHHHHHHHHHCCCCCCCCCCCCCCCHHHCCC
Conf.Score9976678888888776677888766455565532344556655578887662278999999999888885253609977855798998748878776557768899999999999999999999998887567999999999999999999864311788878899885469899999999999019977614899999999999999999999976489998669999999999999999999828999389896899999999999984839998899999999999999998427997899938994439999999999999986381432000899998828857899999999999999999999984128829999999999999999999999603677878777518789999999999999974531622344331088878999999999999999999999999999760622608999999999988514612699998999999995699845265658862110149
H:Helix; S:Strand; C:Coil

  Predicted Solvent Accessibility

Sequence                  20                  40                  60                  80                 100                 120                 140                 160                 180                 200                 220                 240                 260                 280                 300                 320                 340                 360                 380                 400                 420                 440                 460                 480                 500                 520                 540
                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   | 
MSEFATSRVESGSQQTSIHSTPIVQKLETDESPIQTKSEYTNAELPAKPIAAYWTVICLCLMIAFGGFVFGWDTGTISGFVNQTDFKRRFGQMKSDGTYYLSDVRTGLIVGIFNIGCAFGGLTLGRLGDMYGRRIGLMCVVLVYIVGIVIQIASSDKWYQYFIGRIISGMGVGGIAVLSPTLISETAPKHIRGTCVSFYQLMITLGIFLGYCTNYGTKDYSNSVQWRVPLGLNFAFAIFMIAGMLMVPESPRFLVEKGRYEDAKRSLAKSNKVTIEDPSIVAEMDTIMANVETERLAGNASWGELFSNKGAILPRVIMGIMIQSLQQLTGNNYFFYYGTTIFNAVGMKDSFQTSIVLGIVNFASTFVALYTVDKFGRRKCLLGGSASMAICFVIFSTVGVTSLYPNGKDQPSSKAAGNVMIVFTCLFIFFFAISWAPIAYVIVAESYPLRVKNRAMAIAVGANWIWGFLIGFFTPFITSAIGFSYGYVFMGCLVFSFFYVFFFVCETKGLTLEEVNEMYVEGVKPWKSGSWISKEKRVSEE
Prediction7444544635564454434444445434544443544443444614454132101000000000300220032003000100042026303434465433233220000000001001100100032002301210000001200100000000110000000000200100010000000010010134000000010020003002100000000322624000000000012002200000010000000004343343023000301713452530340043035114303633732013003343200000000000020003001000000001001011142000000010100010022021200133023000200100020012000000011233353364331000000000000000001000000000000001032002000000000010000000000100212302000000000000001010000002613021013004761321313413264443568
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                 180                 200                 220                 240                 260                 280                 300                 320                 340                 360                 380                 400                 420                 440                 460                 480                 500                 520                 540
                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   | 
Sec.Str
Seq		CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHCCCCCHHHHHCCCHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHCCCCCHHHHHCCCCCHHHHHHHHHHHHHHHHHHCCSSSHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHCCHHHSSSHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHSSSCCCCCCCHHHHHHHHHCCCCCCCCCCCCCCCHHHCCC
MSEFATSRVESGSQQTSIHSTPIVQKLETDESPIQTKSEYTNAELPAKPIAAYWTVICLCLMIAFGGFVFGWDTGTISGFVNQTDFKRRFGQMKSDGTYYLSDVRTGLIVGIFNIGCAFGGLTLGRLGDMYGRRIGLMCVVLVYIVGIVIQIASSDKWYQYFIGRIISGMGVGGIAVLSPTLISETAPKHIRGTCVSFYQLMITLGIFLGYCTNYGTKDYSNSVQWRVPLGLNFAFAIFMIAGMLMVPESPRFLVEKGRYEDAKRSLAKSNKVTIEDPSIVAEMDTIMANVETERLAGNASWGELFSNKGAILPRVIMGIMIQSLQQLTGNNYFFYYGTTIFNAVGMKDSFQTSIVLGIVNFASTFVALYTVDKFGRRKCLLGGSASMAICFVIFSTVGVTSLYPNGKDQPSSKAAGNVMIVFTCLFIFFFAISWAPIAYVIVAESYPLRVKNRAMAIAVGANWIWGFLIGFFTPFITSAIGFSYGYVFMGCLVFSFFYVFFFVCETKGLTLEEVNEMYVEGVKPWKSGSWISKEKRVSEE
1user 0.26 0.25 0.8210.00Download ----------------------------------------------------TGRLMLAVGGAVLGSLQFGYNTGVINAPQKVEFYTQTWVHRGESILPTTLTTLWSLSVAIFSVGGMIGSFSVGLFVNRFGRRNSMLMMNLLAFVSAVLMGFSKKSFEMLILGRFIIGVYCGLTTGFVPMYVGEVSPTALRGALGTLHQLGIVVGILIAQVFGLD-SIMGNKDLWPLLLSIIFIPALLQCIVLPFCPESPRFLLINNEENRAKSVLKKLRG----TADVTHDLQEMKEESRQMMREKKVTILELFR-SPAYRQPILIAVVLQLSQQLSGINAVFYYSTSIFEKAGVQQPVYATIGSGIVNTAFTVVSLFVVQRAGRRTLHLIGLAGMAGCAILMTIALALL--------EQLPWMSYLSIVAIFGFVAFFEVGPGPIPWFIVAELFSQGPRPAAIAVAGFSNWTSNFIVGMCFQYVEQLCGPYVFIIFTVLLVLFFIFTYFKVPET----------------------------------
24pypA 0.26 0.25 0.82 3.49Download ----------------------------------------------------TGRLMLAVGGAVLGSLQFGYNTGVINAPQKVEFYTQTWVHRYGESILTTLTTLWSLSVAIFSVGGMIGSFSVGLFVNRFGRRNSMLMMNLLAFVSAVLMGFSKKSFEMLILGRFIIGVYCGLTTGFVPMYVGEVSPTALRGALGTLHQLGIVVGILIAQVFGLD-SIMGNKDLWPLLLSIIFIPALLQCIVLPFCPESPRFLLINNEENRAKSVLKKLRGTAD----VTHDLQEMKEESRQMMREKKVTILELFRS-PAYRQPILIAVVLQLSQQLSGINAVFYYSTSIFEKAGVQQPVYATIGSGIVNTAFTVVSLFVVQRAGRRTLHLIGLAGMAGCAILMTIALALL--------EQLPWMSYLSIVAIFGFVAFFEVGPGPIPWFIVAELFSQGPRPAAIAVAGFSNWTSNFIVGMCFQYVEQLCGPYVFIIFTVLLVLFFIFTYFKVPET----------------------------------
34pypA 0.26 0.25 0.82 3.72Download ----------------------------------------------------TGRLMLAVGGAVLGSLQFGYNTGVINAPQKVEFYTQTWVHRYGESLPTTLTTLWSLSVAIFSVGGMIGSFSVGLFVNRFGRRNSMLMMNLLAFVSAVLMGFSKKSFEMLILGRFIIGVYCGLTTGFVPMYVGEVSPTALRGALGTLHQLGIVVGILIAQVFGLDS-IMGNKDLWPLLLSIIFIPALLQCIVLPFCPESPRFLINRNEENRAKSVLKKLR----GTADVTHDLQEMKEESRQMMREKKVTILELFRS-PAYRQPILIAVVLQLSQQLSGINAVFYYSTSIFEKAGVQQPVYATIGSGIVNTAFTVVSLFVVQRAGRRTLHLIGLAGMAGCAILMTIALALLE--------QLPWMSYLSIVAIFGFVAFFEVGPGPIPWFIVAELFSQGPRPAAIAVAGFSNWTSNFIVGMCFQYVEQLCGPYVFIIFTVLLVLFFIFTYFKVPET----------------------------------
46thaA 0.26 0.25 0.82 5.48Download ----------------------------------------------------TGRLMLAVGGAVLGSLQFGYNTGVINAPQKVEFYNQTWVHRYGESLPTTLTTLWSLSVAIFSVGGMIGSFSVGLFVNRFGRRNSMLMMNLLAFVSAVLMGFSGKSFEMLILGRFIIGVYCGLTTGFVPMYVGEVSPTALRGALGTLHQLGIVVGILIAQVFGLDSI-MGNKDLWPLLLSIIFIPALLQCIVLPFCPESPRFLINRNEENRAKSVLKKLRG----TADVTHDLQEMKEESRQMMREKKVTILELFRS-PAYRQPILIAVVLQLSQQLSGINAVFYYSTSIFEKAGVQQPVYATIGSGIVNTAFTVVSLFVVERAGRRTLHLIGLAGMAGCAILMTIALALL--------EQLPWMSYLSIVAIFGFVAFFEVGPGPIPWFIVAELFSQGPRPAAIAVAGFSNWTSNFIVGMCFQYVEQLCGPYVFIIFTVLLVLFFIFTYFKVPET----------------------------------
56thaA 0.26 0.25 0.82 3.76Download ----------------------------------------------------TGRLMLAVGGAVLGSLQFGYNTGVINAPQKVEFYNQTWVHRYGESLPTTLTTLWSLSVAIFSVGGMIGSFSVGLFVNRFGRRNSMLMMNLLAFVSAVLMGFSKKSFEMLILGRFIIGVYCGLTTGFVPMYVGEVSPTALRGALGTLHQLGIVVGILIAQVFGLDSI-MGNKDLWPLLLSIIFIPALLQCIVLPFCPESPRFLINRNEENRAKSVLKKLR----GTADVTHDLQEMKEESRQMMREKKVTILELFRS-PAYRQPILIAVVLQLSQQLSGINAVFYYSTSIFEKAGVQQPVYATIGSGIVNTAFTVVSLFVVERAGRRTLHLIGLAGMAGCAILMTIALALL--------EQLPWMSYLSIVAIFGFVAFFEVGPGPIPWFIVAELFSQGPRPAAIAVAGFSNWTSNFIVGMCFQYVEQLCGPYVFIIFTVLLVLFFIFTYFKVPET----------------------------------
65eqgA 0.26 0.25 0.82 6.80Download ----------------------------------------------------TGRLMLAVGGAVLGSLQFGYNTGVINAPQKVEFYNQTWHRYGESILPTTLTTLWSLSVAIFSVGGMIGSFSVGLFVNRFGRRNSMLMMNLLAFVSAVLMGFSKKSFEMLILGRFIIGVYCGLTTGFVPMYVGEVSPTALRGALGTLHQLGIVVGILIAQVFGLD-SIMGNKDLWPLLLSIIFIPALLQCIVLPFCPESPRFLLNRNEENRAKSVLKKLRGTA----DVTHDLQEMKEESRQMMREKKVTILELFRS-PAYRQPILIAVVLQLSQQLSGINAVFYYSTSIFEKAGVQQPVYATIGSGIVNTAFTVVSLFVVERAGRRTLHLIGLAGMAGCAILMTIALAL--------LEQLPWMSYLSIVAIFGFVAFFEVGPGPIPWFIVAELFSQGPRPAAIAVAGFSNWTSNFIVGMCFQYVEQLCGPYVFIIFTVLLVLFFIFTYFKVPET----------------------------------
74pypA 0.26 0.25 0.82 6.74Download ----------------------------------------------------TGRLMLAVGGAVLGSLQFGYNTGVINAPQKVEFYTQTWHRYGESILPTTLTTLWSLSVAIFSVGGMIGSFSVGLFVNRFGRRNSMLMMNLLAFVSAVLMSKLGKSFEMLILGRFIIGVYCGLTTGFVPMYVGEVSPTALRGALGTLHQLGIVVGILIAQVFGLD-SIMGNKDLWPLLLSIIFIPALLQCIVLPFCPESPRFLLNRNEENRAKSVLKKLRGTAD----VTHDLQEMKEESRQMMREKKVTILELFRS-PAYRQPILIAVVLQLSQQLSGINAVFYYSTSIFEKAGVQQPVYATIGSGIVNTAFTVVSLFVVQRAGRRTLHLIGLAGMAGCAILMTIALAL--------LEQLPWMSYLSIVAIFGFVAFFEVGPGPIPWFIVAELFSQGPRPAAIAVAGFSNWTSNFIVGMCFQYVEQLCGPYVFIIFTVLLVLFFIFTYFKVPET----------------------------------
84pyp 0.26 0.25 0.82 1.73Download ----------------------------------------------------TGRLMLAVGGAVLGSLQFGYNTGVINAPQKVEFYTQTWVHRYGESLPTTLTTLWSLSVAIFSVGGMIGSFSVGLFVNRFGRRNSMLMMNLLAFVSAVLMGFSKKSFEMLILGRFIIGVYCGLTTGFVPMYVGEVSPTALRGALGTLHQLGIVVGILIAQVFGLDSI-MGNKDLWPLLLSIIFIPALLQCIVLPFCPESPRFLLNRNEENRAKSVLKKLRGTAD----VTHDLQEMKEESRQMMREKKVTILELFRS-PAYRQPILIAVVLQLSQQLSGINAVFYYSTSIFEKAGVQQPVYATIGSGIVNTAFTVVSLFVVQRAGRRTLHLIGLAGMAGCAILMTIALALLE--------QLPWMSYLSIVAIFGFVAFFEVGPGPIPWFIVAELFSQGPRPAAIAVAGFSNWTSNFIVGMCFQYVEQLCGPYVFIIFTVLLVLFFIFTYFKVPET----------------------------------
94pypA 0.26 0.25 0.81 4.97Download -------------------------------------------------------LMLAVGGAVLGSLQFGYNTGVINAPQKVEFYTQTWVHRYGESILTTLTTLWSLSVAIFSVGGMIGSFSVGLFVNRFGRRNSMLMMNLLAFVSAVLMGFSGKSFEMLILGRFIIGVYCGLTTGFVPMYVGEVSPTALRGALGTLHQLGIVVGILIAQVFGLD-SIMGNKDLWPLLLSIIFIPALLQCIVLPFCPESPRFLLNRNEENRAKSVLKKLRGTAD----VTHDLQEMKEESRQMMREKKVTILELFR-SPAYRQPILIAVVLQLSQQLSGINAVFYYSTSIFEKAGVQQPVYATIGSGIVNTAFTVVSLFVVQRAGRRTLHLIGLAGMAGCAILMTIALALL--------EQLPWMSYLSIVAIFGFVAFFEVGPGPIPWFIVAELFSQGPRPAAIAVAGFSNWTSNFIVGMCFQYVEQLCGPYVFIIFTVLLVLFFIFTYFKVPET----------------------------------
106tha 0.26 0.25 0.82 1.65Download ---------------------------------------------------LTGRLMLAVGGAVLGSLQFGYNTGVINAPQKVEFYNQTWVHRYGESLPTTLTTLWSLSVAIFSVGGMIGSFSVGLFVNRFGRRNSMLMMNLLAFVSAVLMGFSKKSFEMLILGRFIIGVYCGLTTGFVPMYVGEVSPTALRGALGTLHQLGIVVGILIAQVFGLDSI-MGNKDLWPLLLSIIFIPALLQCIVLPFCPESPRFLLNRNEENRAKSVLKKLRGTAD----VTHDLQEMKEESRQMMREKKVTILELFRS-PAYRQPILIAVVLQLSQQLSGINAVFYYSTSIFEKAGVQQPVYATIGSGIVNTAFTVVSLFVVERAGRRTLHLIGLAGMAGCAILMTIALALLE--------QLPWMSYLSIVAIFGFVAFFEVGPGPIPWFIVAELFSQGPRPAAIAVAGFSNWTSNFIVGMCFQYVEQLCGPYVFIIFTVLLVLFFIFTYFKVPET----------------------------------
(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: User   2: MUSTER   3: Neff-PPAS   4: FFAS03   5: Neff-PPAS   6: SP3   7: SP3   8: HHSEARCH I   9: FFAS-3D   10: HHSEARCH I   

   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=-1.24 (Read more about C-score)
  • Estimated TM-score = 0.56±0.15
  • Estimated RMSD = 10.4±4.6Å

  • Download Model 2
  • C-score = -1.76

  • Download Model 3
  • C-score = -2.23

  • Download Model 4
  • C-score = -2.50

  • Download Model 5
  • C-score = -2.65


  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
17wsmA0.829 0.950.2440.839Download
26thaA0.814 0.520.2580.817Download
37crzA0.732 3.470.2510.845Download
44ldsA0.718 2.320.3070.771Download
56h7dA0.711 3.980.2470.848Download
68bvrA0.710 3.260.1440.795Download
74gbyA0.705 3.530.2650.815Download
86rw3A0.695 3.470.2230.797Download
94ybqA0.682 3.780.2270.808Download
108dwiA0.675 2.900.1260.745Download

(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
10.12 10 4zwbA MAL Rep, Mult 74,78,200,203,204,207,326,327,332,361,431,432,467
20.09 6 5eqhA 5RF Rep, Mult 70,121,176,199,326,431,432,440,456,460,463,464
30.04 4 5c65A Y01 Rep, Mult 122,302,320,324,328,462,465,470
40.04 4 4gc0A 6BG Rep, Mult 70,200,326,327,332,335,463
50.03 3 5d59A 78M Rep, Mult 116,120,137,140


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
10.1242z1qB0.342 6.410.0390.488 1.3.99.3  NA
20.1203i39X0.355 7.820.0550.595 1.2.99.2  NA
30.1161fa9A0.329 7.370.0460.525 2.4.1.1  NA
40.1161w36C0.336 7.130.0320.518 3.1.11.5  69,121,233
50.1142r7oA0.373 7.370.0580.592 2.7.7.48  197

 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 0.290.6382 3.50 0.10 0.731pw4A GO:0005886 GO:0006810 GO:0016020 GO:0016021 GO:0006071 GO:0005215 GO:0015169 GO:0015794 GO:0055085
2 0.240.6091 4.02 0.10 0.731pv6A GO:0016020 GO:0009099 GO:0003984 GO:0004802 GO:0006810 GO:0015293 GO:0008643 GO:0009097 GO:0005948 GO:0016021 GO:0005886
3 0.230.6113 3.55 0.10 0.702xutA GO:0016020 GO:0016021 GO:0006810 GO:0005215 GO:0006857 GO:0015197 GO:0015833
4 0.180.5529 4.09 0.07 0.672gfpA GO:0016020 GO:0006810 GO:0006855 GO:0005886 GO:0016021 GO:0015238 GO:0015893 GO:0055085
5 0.180.5590 4.66 0.11 0.713o7qA GO:0006004 GO:0015756 GO:0006810 GO:0016021 GO:0015293 GO:0015755 GO:0008643 GO:0016020 GO:0009679 GO:0015757 GO:0015517 GO:0015518 GO:0055085 GO:0015535 GO:0005886 GO:0005975 GO:0015751
6 0.130.3895 7.51 0.06 0.643mktA GO:0006855 GO:0015238 GO:0015297 GO:0016020 GO:0055085
7 0.130.3662 7.99 0.04 0.611t3tA GO:0006541 GO:0005524 GO:0000166 GO:0005737 GO:0004642 GO:0016874 GO:0006164 GO:0003824 GO:0006189
8 0.120.3503 7.72 0.05 0.582xvgA GO:0016787 GO:0016798 GO:0008152 GO:0003824 GO:0004553 GO:0005975 GO:0030246
9 0.120.3550 7.82 0.06 0.603i39X GO:0046872 GO:0005737 GO:0016151 GO:0016491 GO:0006091 GO:0051536 GO:0051539 GO:0003824 GO:0016020 GO:0055114 GO:0005886 GO:0018492
10 0.110.3757 7.48 0.06 0.602r7rA GO:0032774 GO:0000166 GO:0003968 GO:0016740 GO:0003723 GO:0019012 GO:0016779 GO:0006351 GO:0019079


Consensus prediction of GO terms		 
Molecular Function GO:0015168 GO:0016744 GO:0009679 GO:0005354 GO:0042900 GO:0015150
GO-Score 0.58 0.48 0.35 0.35 0.35 0.35
Biological Process GO:0015791 GO:0019400 GO:0055085 GO:0046394 GO:0006573 GO:0006549 GO:0009309 GO:0042493 GO:0008645 GO:0015750
GO-Score 0.58 0.58 0.52 0.48 0.48 0.48 0.48 0.36 0.35 0.35
Cellular Component GO:0016021 GO:0005886 GO:0032991 GO:0044444
GO-Score 0.72 0.64 0.48 0.48

(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 S776459_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.