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I-TASSER results for job id S777079

(Click on S777079_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
MLVAHLSLVTLLCALCSAALFDANSYVYYYQSAFRPSTGWHLHGGAYAVVNVSEEHSTVT
ATGCTTGIISGGRNFNASSVAMTAPPSGMRWSKEQLCTAYCNFTDFTVFVTHCYVSGPGK
CPLTGLINKGYIRISAMRNGILFYNNTVSTNKYPTFKSLQCVDNSTSVYLNGDLIFTSNY
TTDVKDAGVYFKAGGPITYKIMKNFNVLAYFVNGTVHDVILCDQSPRGLLACQYNTGNFS
DGFYPFTNSSLVKEKFIVYRENSVNTTLALHNFTFTNETSAPPNTGGVSSITLYQTRNAQ
SGYYNFNFSFLSAFVYKRSDFMYGSYHPKCSFRPENINNGLWFGSLTISLAYGPLQGGCK
QSVFSGRATCCYAYSYNGPRACKGVYSGELSQSFECGLLVYVTKSDGSRIQTALEPPILT
QHNYNNITLNSCVEYNIYGRTGQGFITNVTDSAASYNYLADAGLAILDTSGAVDTFVVQG
EYGLNYYKVNPCEDVNQQFVVSGGNLVGILTSRNETGSQLIENQFYIKLVNETRRFRR

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MLVAHLSLVTLLCALCSAALFDANSYVYYYQSAFRPSTGWHLHGGAYAVVNVSEEHSTVTATGCTTGIISGGRNFNASSVAMTAPPSGMRWSKEQLCTAYCNFTDFTVFVTHCYVSGPGKCPLTGLINKGYIRISAMRNGILFYNNTVSTNKYPTFKSLQCVDNSTSVYLNGDLIFTSNYTTDVKDAGVYFKAGGPITYKIMKNFNVLAYFVNGTVHDVILCDQSPRGLLACQYNTGNFSDGFYPFTNSSLVKEKFIVYRENSVNTTLALHNFTFTNETSAPPNTGGVSSITLYQTRNAQSGYYNFNFSFLSAFVYKRSDFMYGSYHPKCSFRPENINNGLWFGSLTISLAYGPLQGGCKQSVFSGRATCCYAYSYNGPRACKGVYSGELSQSFECGLLVYVTKSDGSRIQTALEPPILTQHNYNNITLNSCVEYNIYGRTGQGFITNVTDSAASYNYLADAGLAILDTSGAVDTFVVQGEYGLNYYKVNPCEDVNQQFVVSGGNLVGILTSRNETGSQLIENQFYIKLVNETRRFRR
Prediction	CCCSSHHHHHHHHHHHCCSSSCCCCSSSSSSCCCCCCCCCCCCCCSSSSSSSCCCCCCCCCCCCSSSSSCCCSSSSSSSSSSSCCCCCCSSSCCSSSSSSSSSSSSSSSSSSSSCCCCCCCCCCCCCCCCSSSSSSSSCCSSSSSSSSSCCCCCCSSSSSSSSCCCSSSSCCSSSSSCCCCSSSSSSSSSSSCCCSSSSSSSCCCCSSSSSSCCCSSSSSSSCCCCCCCSSSSSCCCCCCCCCCCCCCCCCCCCCSSSCCCCSSSSSSSSSSSSSSSSCCCCCCCCCCCSSSSSSSSSSSCCSSSSSSSSSCCSSCCCCSSSSSSSCCCCCCCHHHCCCCCSSSSSSSSCCCCCCCCCSSSSSSCCCSSSSSSSSCCCCCCCCSSSSSSSSSSSSSCCSSSSSSSCCCSSSSCCCCCCCCSSSCCSSSSSSCCCSSSSCCCSSSSSSCCCHHHCCCCCCCCCCSSSSCCCCCSSSSSSSCCCCCSSSSSSCCCCCCSSSSSSCCSSSSSSSCCCCCCCCCCCCCCSSSSCCCCSSSCC
Conf.Score	9631029999999861543655997699981477898950747866999970342006787850786872517872256860316788224623699999997317999997845899977302606787599999968848999876637709886899980686099855689944863178841688640460788860036035567378138999936994100243222366799776765654466509988770578989998267887325887778744689968832101389973489542773311078822389899986782277617679998976878886247884560379999861898522268973577878862599999628980350568871023753369942141487106520699990143204456435686799868898538999747786179998988876579999999999996354567744166127996156123349
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MLVAHLSLVTLLCALCSAALFDANSYVYYYQSAFRPSTGWHLHGGAYAVVNVSEEHSTVTATGCTTGIISGGRNFNASSVAMTAPPSGMRWSKEQLCTAYCNFTDFTVFVTHCYVSGPGKCPLTGLINKGYIRISAMRNGILFYNNTVSTNKYPTFKSLQCVDNSTSVYLNGDLIFTSNYTTDVKDAGVYFKAGGPITYKIMKNFNVLAYFVNGTVHDVILCDQSPRGLLACQYNTGNFSDGFYPFTNSSLVKEKFIVYRENSVNTTLALHNFTFTNETSAPPNTGGVSSITLYQTRNAQSGYYNFNFSFLSAFVYKRSDFMYGSYHPKCSFRPENINNGLWFGSLTISLAYGPLQGGCKQSVFSGRATCCYAYSYNGPRACKGVYSGELSQSFECGLLVYVTKSDGSRIQTALEPPILTQHNYNNITLNSCVEYNIYGRTGQGFITNVTDSAASYNYLADAGLAILDTSGAVDTFVVQGEYGLNYYKVNPCEDVNQQFVVSGGNLVGILTSRNETGSQLIENQFYIKLVNETRRFRR
Prediction	7422100000000000000011442000000000103610000000000000033223231330000002232301100010212223031232000101020211100000003324200000121442100000022210000000200411201000001420000000100030331330212011130000000000330301020031002100002411233020123424030000011344413420010132111010101010010012021323203202011232231010202010112202331312110212402020420002020210000013223322030102433100000101333321210021313331301000000223233031224323231311120233311301011230101013023211333101100000002322100000103341320102015323100000342000000021332133031101010123234448
	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

Iden1

Iden2

Cov

Norm.
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
                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                  

Sec.Str
Seq

CCCSSHHHHHHHHHHHCCSSSCCCCSSSSSSCCCCCCCCCCCCCCSSSSSSSCCCCCCCCCCCCSSSSSCCCSSSSSSSSSSSCCCCCCSSSCCSSSSSSSSSSSSSSSSSSSSCCCCCCCCCCCCCCCCSSSSSSSSCCSSSSSSSSSCCCCCCSSSSSSSSCCCSSSSCCSSSSSCCCCSSSSSSSSSSSCCCSSSSSSSCCCCSSSSSSCCCSSSSSSSCCCCCCCSSSSSCCCCCCCCCCCCCCCCCCCCCSSSCCCCSSSSSSSSSSSSSSSSCCCCCCCCCCCSSSSSSSSSSSCCSSSSSSSSSCCSSCCCCSSSSSSSCCCCCCCHHHCCCCCSSSSSSSSCCCCCCCCCSSSSSSCCCSSSSSSSSCCCCCCCCSSSSSSSSSSSSSCCSSSSSSSCCCSSSSCCCCCCCCSSSCCSSSSSSCCCSSSSCCCSSSSSSCCCHHHCCCCCCCCCCSSSSCCCCCSSSSSSSCCCCCSSSSSSCCCCCCSSSSSSCCSSSSSSSCCCCCCCCCCCCCCSSSSCCCCSSSCC
MLVAHLSLVTLLCALCSAALFDANSYVYYYQSAFRPSTGWHLHGGAYAVVNVSEEHSTVTATGCTTGIISGGRNFNASSVAMTAPPSGMRWSKEQLCTAYCNFTDFTVFVTHCYVSGPGKCPLTGLINKGYIRISAMRNGILFYNNTVSTNKYPTFKSLQCVDNSTSVYLNGDLIFTSNYTTDVKDAGVYFKAGGPITYKIMKNFNVLAYFVNGTVHDVILCDQSPRGLLACQYNTGNFSDGFYPFTNSSLVKEKFIVYRENSVNTTLALHNFTFTNETSAPPNTGGVSSITLYQTRNAQSGYYNFNFSFLSAFVYKRSDFMYGSYHPKCSFRPENINNGLWFGSLTISLAYGPLQGGCKQSVFSGRATCCYAYSYNGPRACKGVYSGELSQSFECGLLVYVTKSDGSRIQTALEPPILTQHNYNNITLNSCVEYNIYGRTGQGFITNVTDSAASYNYLADAGLAILDTSGAVDTFVVQGEYGLNYYKVNPCEDVNQQFVVSGGNLVGILTSRNETGSQLIENQFYIKLVNETRRFRR

6cv0A

0.78

0.75

0.96

3.12

Download

--------------------YDSSSYVYYYQSAFRPPNGWHLHGGAYAVVNISSESNNGSSPGCIVGTIHGGRVVNASSIAMTAPSSGMAWSSSQFCTAHCNFSDTTVFVTHCYKYD--GCPITGMLQKNFLRVSAMKNGQLFYNLTVSVAKYPTFKSFQCVNNLTSVYLNGDLVYTSNETTDVTSAGVYFKAGGPITYKVMREVKALAYFVNGTAQDVILCDGSPRGLLACQYNTGNFSDGFYPFINSSLVKQKFIVYRENSVNTTFTLHNFTFHNETGANPNPSGVQNIQTYQTQTAQSGYYNFNFSFLSSFVYKESNFMYGSYHPSCNFRLETINNGLWFNSLSVSIAYGPLQGGCKQSVFSGRATCCYAYSYGGPSLCKGVYSGELDLNFECGLLVYVTKSGGSRIQTATEPPVITRHNYNNITLNTCVDYNIYGRTGQGFITNVTDSAVSYNYLADAGLAILDTSGSIDIFVVQGEYGLTYYKVNPCEDVNQQFVVSGGKLVGILTSRNETGSQLLENQFYIKITNGTRRFRR

7us6A

0.21

0.29

0.88

2.14

Download

GLIPSDFSFNNWFLLTNSSTVVSGTRQPLVVNCLWPVPSFKEAASTFCFEGAGFDQCNGAVLNNTVDVIRFNLNFT-----------ADVQSGMGATVFSLNTTGGVILEISCYNDIVSY-------SYGDIPFGITGPRYCYVLYNGTTGTLPPSVKEIAISKWGHFYINGYNFFSTFP---IDCISFNLTTGAFWTIAYTSYTEALVQVENTAIKKVTYC-NSHINNIKCSQLTANLQNGFYPVASSEVVNKSVVLLPSFFAHTTVNITIDLGMKRSGYQPIASPLSNITLPDVYCIRSNQFSIYVHSTCKSSLWDNVATAVIKTGTCPFSFDKLNNHLTFNKFCLSL--SPVGANCKFDVAARTRT-----------------------NEQVVRSLYVIYEEGDNIVGVPSSVL---------HLDSCTDYNIYGRTGVGVIRQTNSTLLS-------GLYYTSLSG--DLLGFKNVSDGVIYSVTPC-DVSAQAAVIDGAIVGAMTSINSTHWTTTPNFYYYSIYNYTVDCEP

6cv0

0.78

0.75

0.96

3.18

Download

--------------------YDSSSYVYYYQSAFRPPNGWHLHGGAYAVVNISSESNAGSSPGCIVGTIHGGRVVNASSIAMTAPSSGMAWSSSQFCTAHCNFSDTTVFVTHCYKY--DGCPITGMLQKNFLRVSAMKNGQLFYNLTVSVAKYPTFKSFQCVNNLTSVYLNGDLVYTSNETTDVTSAGVYFKAGGPITYKVMREVKALAYFVNGTAQDVILCDGSPRGLLACQYNTGNFSDGFYPFINSSLVKQKFIVYRENSVNTTFTLHNFTFHNETGANPNPSGVQNIQTYQTQTAQSGYYNFNFSFLSSFVYKESNFMYGSYHPSCNFRLETINNGLWFNSLSVSIAYGPLQGGCKQSVFSGRATCCYAYSYGGPSLCKGVYSGELDLNFECGLLVYVTKSGGSRIQTATEPPVITRHNYNNITLNTCVDYNIYGRTGQGFITNVTDSAVSYNYLADAGLAILDTSGSIDIFVVQGEYGLTYYKVNPCEDVNQQFVVSGGKLVGILTSRNETGSQLLENQFYIKITNGTRRFRR

6cv0

0.78

0.75

0.96

2.36

Download

--------------------YDSSSYVYYYQSAFRPPNGWHLHGGAYAVVNISSESNNAGSPGCIVGTIHGGRVVNASSIAMTAPSSGMAWSSSQFCTAHCNFSDTTVFVTHCYKY--DGCPITGMLQKNFLRVSAMKNGQLFYNLTVSVAKYPTFKSFQCVNNLTSVYLNGDLVYTSNETTDVTSAGVYFKAGGPITYKVMREVKALAYFVNGTAQDVILCDGSPRGLLACQYNTGNFSDGFYPFINSSLVKQKFIVYRENSVNTTFTLHNFTFHNETGANPNPSGVQNIQTYQTQTAQSGYYNFNFSFLSSFVYKESNFMYGSYHPSCNFRLETINNGLWFNSLSVSIAYGPLQGGCKQSVFSGRATCCYAYSYGGPSLCKGVYSGELDLNFECGLLVYVTKSGGSRIQTATEPPVITRHNYNNITLNTCVDYNIYGRTGQGFITNVTDSAVSYNYLADAGLAILDTSGSIDIFVVQGEYGLTYYKVNPCEDVNQQFVVSGGKLVGILTSRNETGSQLLENQFYIKITNGTRRFRR

6cv0A

0.78

0.75

0.96

3.08

Download

--------------------YDSSSYVYYYQSAFRPPNGWHLHGGAYAVVNISSESNNAGSPGCIVGTIHGGRVVNASSIAMTAPSSGMAWSSSQFCTAHCNFSDTTVFVTHCYK--YDGCPITGMLQKNFLRVSAMKNGQLFYNLTVSVAKYPTFKSFQCVNNLTSVYLNGDLVYTSNETTDVTSAGVYFKAGGPITYKVMREVKALAYFVNGTAQDVILCDGSPRGLLACQYNTGNFSDGFYPFINSSLVKQKFIVYRENSVNTTFTLHNFTFHNETGANPNPSGVQNIQTYQTQTAQSGYYNFNFSFLSSFVYKESNFMYGSYHPSCNFRLETINNGLWFNSLSVSIAYGPLQGGCKQSVFSGRATCCYAYSYGGPSLCKGVYSGELDLNFECGLLVYVTKSGGSRIQTATEPPVITRHNYNNITLNTCVDYNIYGRTGQGFITNVTDSAVSYNYLADAGLAILDTSGSIDIFVVQGEYGLTYYKVNPCEDVNQQFVVSGGKLVGILTSRNETGSQLLENQFYIKITNGTRRFRR

6cv0

0.78

0.75

0.96

3.64

Download

--------------------YDSSSYVYYYQSAFRPPNGWHLHGGAYAVVNISSESNNASSPGCIVGTIHGGRVVNASSIAMTAPSSGMAWSSSQFCTAHCNFSDTTVFVTHCYKY--DGCPITGMLQKNFLRVSAMKNGQLFYNLTVSVAKYPTFKSFQCVNNLTSVYLNGDLVYTSNETTDVTSAGVYFKAGGPITYKVMREVKALAYFVNGTAQDVILCDGSPRGLLACQYNTGNFSDGFYPFINSSLVKQKFIVYRENSVNTTFTLHNFTFHNETGANPNPSGVQNIQTYQTQTAQSGYYNFNFSFLSSFVYKESNFMYGSYHPSCNFRLETINNGLWFNSLSVSIAYGPLQGGCKQSVFSGRATCCYAYSYGGPSLCKGVYSGELDLNFECGLLVYVTKSGGSRIQTATEPPVITRHNYNNITLNTCVDYNIYGRTGQGFITNVTDSAVSYNYLADAGLAILDTSGSIDIFVVQGEYGLTYYKVNPCEDVNQQFVVSGGKLVGILTSRNETGSQLLENQFYIKITNGTRRFR-

6cv0A

0.78

0.75

0.96

11.16

Download

--------------------YDSSSYVYYYQSAFRPPNGWHLHGGAYAVVNISSESNNGSSPGCIVGTIHGGRVVNASSIAMTAPSSGMAWSSSQFCTAHCNFSDTTVFVTHCYKY--DGCPITGMLQKNFLRVSAMKNGQLFYNLTVSVAKYPTFKSFQCVNNLTSVYLNGDLVYTSNETTDVTSAGVYFKAGGPITYKVMREVKALAYFVNGTAQDVILCDGSPRGLLACQYNTGNFSDGFYPFINSSLVKQKFIVYRENSVNTTFTLHNFTFHNETGANPNPSGVQNIQTYQTQTAQSGYYNFNFSFLSSFVYKESNFMYGSYHPSCNFRLETINNGLWFNSLSVSIAYGPLQGGCKQSVFSGRATCCYAYSYGGPSLCKGVYSGELDLNFECGLLVYVTKSGGSRIQTATEPPVITRHNYNNITLNTCVDYNIYGRTGQGFITNVTDSAVSYNYLADAGLAILDTSGSIDIFVVQGEYGLTYYKVNPCEDVNQQFVVSGGKLVGILTSRNETGSQLLENQFYIKITNGTRRFRR

6cv0A

0.78

0.75

0.96

1.89

Download

--------------------YDSSSYVYYYQSAFRPPNGWHLHGGAYAVVNISSESNNGSSPGCIVGTIHGGRVVNASSIAMTAPSSGMAWSSSQFCTAHCNFSDTTVFVTHCYKYD--GCPITGMLQKNFLRVSAMKNGQLFYNLTVSVAKYPTFKSFQCVNNLTSVYLNGDLVYTSNETTDVTSAGVYFKAGGPITYKVMREVKALAYFVNGTAQDVILCDGSPRGLLACQYNTGNFSDGFYPFINSSLVKQKFIVYRENSVNTTFTLHNFTFHNETGANPNPSGVQNIQTYQTQTAQSGYYNFNFSFLSSFVYKESNFMYGSYHPSCNFRLETINNGLWFNSLSVSIAYGPLQGGCKQSVFSGRATCCYAYSYGGPSLCKGVYSGELDLNFECGLLVYVTKSGGSRIQTATEPPVITRHNYNNITLNTCVDYNIYGRTGQGFITNVTDSAVSYNYLADAGLAILDTSGSIDIFVVQGEYGLTYYKVNPCEDVNQQFVVSGGKLVGILTSRNETGSQLLENQFYIKITNGTRRFRR

7us6A

0.20

0.29

0.87

2.89

Download

GLIPSDFSFNNWFLLTNSSTVVSGKLVTRVVNCLWPVPSFKEAASTFCFEGAGFDQCNGAVLNNTVDVI-----------RFNLNFTADVQSGMGATVFSLNTTGGVILEISCY--NDIVSYSYGDIPFGITD----GPRYCYVLYNGTTGTLPPSVKEIAISKWGHFYINGYNFFSTFP---IDCISFNLTTGAFWTIAYTSYTEALVQVENTAIKKVTYCN-SHINNIKCSQLTANLQNGFYPVASSEVGLVNVVLLPSFFAHTTVNITIDLGMKRSGYGQPIIRSNQFSIYVHSTCKSSLWDNVFNQDCTDVLEATAVIKT---GTCPFSFDKLNNHLTFNKFCLSL--SPVGANCKFDVA-----------------------ARTRTNEQVVRSLYVIYEEGDNIVGVPSSV---------LHLDSCTDYNIYGRTGVGVIRQTNST-------LLSGLYYTSLSG--DLLGFKNVSDGVIYSVTPC-DVSAQAAVIDGAIVGAMTSINSELLGTTPNFYYYSIYNYTVDCEK

6u7kA

0.18

0.29

0.88

5.96

Download

GHIPEGFSFNNWFLLSNDSTLLHGKVVSNQPLCLLAIPKIYGLGQFFSFNHTMDGVCNGAAVDRAPEALRFNINDTSVILAEGSIVHTALGTNSFVCSNSSDPHLATEVPYYCFLKVDTYN----------------------STVYKFLAVLPPTVREIVITKYGDVYVNGFGYLHLGLLDAVTIHGTDDDVSGFWTIASTNFVDALIEVQGTSIQRILYCD-DPVSQLKCSQVAFDLDDGFYPISSRNLLSHE----QPISFVTLPSFNDHSFVNIT-VSAAFGGLSSANLVASDTTINGFSSFTRQFTITLFYNVTNYVSKSQDSNCPFTLQSVNDYLSFSKFCVSTSL--LAGACTIDLFGY------------PAFGSGVKLTSLYFQFTKGELITG-----------TPKPLEGITDVSFMTLDVCTKYTIYGFKGEGIITLTNSSILAVYYTSDSG----------QLLAFKNVTSGAVYSVTPCS-FSEQAAYVNDDIVGVISSLSNSTFNNTREGFFYHSNDGSNCTEP

(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: HHSEARCH2 4: HHSEARCH I 5: Neff-PPAS 6: HHSEARCH 7: pGenTHREADER 8: wdPPAS 9: PROSPECT2 10: SP3

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=0.32 (Read more about C-score) Estimated TM-score = 0.76±0.10 Estimated RMSD = 6.8±4.0Å	Download Model 2 C-score = -0.59	Download Model 3 C-score = -1.62	Download Model 4 C-score = 0.99

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

Rank	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov	Alignment
1	6cv0A	0.955	0.54	0.783	0.959	Download
2	8ifnB	0.623	5.66	0.091	0.851	Download
3	7m6eA	0.622	4.95	0.093	0.801	Download
4	7pnmA	0.620	5.56	0.117	0.842	Download
5	8ohnA	0.612	5.40	0.112	0.823	Download
6	8sakA	0.610	5.19	0.139	0.803	Download
7	5x58A	0.609	5.20	0.081	0.803	Download
8	3jclA	0.596	5.73	0.085	0.822	Download
9	7u6rA	0.589	5.38	0.107	0.784	Download
10	5i08A	0.582	5.93	0.109	0.805	Download

(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)	RMSD^a is the RMSD between residues that are structurally aligned by TM-align.
(d)	IDEN^a 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

Rank	C-score	Cluster size	PDB Hit	Lig Name	Download Complex	Ligand Binding Site Residues
1	0.07	3	3zyvA	FES	Rep, Mult	222,223,225,226,227,228,232,247
2	0.07	3	4dmzB	MG	Rep, Mult	230,233,234
3	0.02	1	3zyvC	FES	Rep, Mult	97,98,100,109,110,111
4	0.02	1	3l68A	COU	Rep, Mult	227,231
5	0.02	1	N/A	N/A	N/A	28,29,154,157,158,160,169,171,172,215

	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

Rank	Cscore^EC	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov	EC Number	Active Site Residues
1	0.154	2qf7A	0.343	7.67	0.048	0.558	6.4.1.1	NA
2	0.154	2vkzG	0.349	7.71	0.042	0.584	2.3.1.38 3.1.2.14	NA
3	0.153	1llwA	0.327	7.48	0.036	0.528	1.4.7.1	NA
4	0.152	1qf6A	0.328	7.65	0.044	0.545	6.1.1.3	NA
5	0.150	1nyqB	0.316	7.72	0.052	0.522	6.1.1.3	NA

	Click on the radio buttons to visualize predicted active site residues.
(a)	Cscore^EC is the confidence score for the EC number prediction. Cscore^EC 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)	RMSD^a is the RMSD between residues that are structurally aligned by TM-align.
(d)	IDEN^a 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

Rank	Cscore^GO	TM-score	RMSD^a	IDEN^a	Cov	PDB Hit	Associated GO Terms
Top 10 homologous GO templates in PDB
1	0.16	0.3271	7.48	0.04	0.53	1llwA	GO:0016491 GO:0046872 GO:0008652 GO:0006541 GO:0051536 GO:0055114 GO:0051538 GO:0016041 GO:0005515 GO:0006537 GO:0003824 GO:0006807 GO:0008152 GO:0015930
2	0.16	0.3427	7.67	0.05	0.56	2qf7A	GO:0004736 GO:0016874 GO:0046872 GO:0003824 GO:0004075 GO:0005524 GO:0006094 GO:0008152
3	0.15	0.3233	8.15	0.04	0.56	1vt4I	GO:0005524 GO:0006915
4	0.15	0.3282	7.65	0.04	0.54	1qf6A	GO:0006435 GO:0006412 GO:0008144 GO:0004812 GO:0004829 GO:0005524 GO:0008270 GO:0043039 GO:0016876 GO:0016874 GO:0000900 GO:0005737 GO:0000166 GO:0003723 GO:0005515 GO:0006417 GO:0046872 GO:0006418 GO:0045947
5	0.15	0.3150	8.25	0.06	0.55	3zqjC	GO:0000166 GO:0004518 GO:0005618 GO:0005829 GO:0005524 GO:0052572 GO:0009432 GO:0046872 GO:0003677 GO:0006974 GO:0005886 GO:0005737 GO:0006281 GO:0006200
6	0.15	0.3059	8.00	0.04	0.52	1vrqA	GO:0000166 GO:0004047 GO:0005488 GO:0005737 GO:0006546 GO:0008115 GO:0046653
7	0.15	0.3155	7.72	0.05	0.52	1nyqB	GO:0005737 GO:0043039 GO:0000166 GO:0006412 GO:0016874 GO:0006418 GO:0005524 GO:0004812 GO:0046872 GO:0006435 GO:0016876 GO:0004829
8	0.15	0.3169	7.79	0.05	0.53	2hg4D	GO:0003824 GO:0005488 GO:0008152 GO:0009058 GO:0016740 GO:0048037
9	0.15	0.3094	8.13	0.02	0.53	1ofdA	GO:0046872 GO:0051536 GO:0005515 GO:0016041 GO:0051538 GO:0055114 GO:0006537 GO:0006541 GO:0008652 GO:0016491 GO:0003824 GO:0006807 GO:0008152 GO:0015930
10	0.15	0.2814	7.81	0.02	0.47	2vz8A	GO:0016740 GO:0000166 GO:0000036 GO:0003824 GO:0004312 GO:0004313 GO:0004314 GO:0004315 GO:0004316 GO:0004317 GO:0004319 GO:0004320 GO:0005488 GO:0008152 GO:0008270 GO:0009058 GO:0016295 GO:0016296 GO:0016297 GO:0016491 GO:0016747 GO:0016788 GO:0031177 GO:0048037 GO:0055114

Consensus prediction of GO terms

Molecular Function GO:0046872 GO:0005524 GO:0016643 GO:0051540 GO:0016885 GO:0090079 GO:0016875 GO:0030371

GO-Score 0.49 0.49 0.32 0.32 0.31 0.31 0.31 0.31

Biological Process GO:0006536 GO:0009084 GO:0019319 GO:0012501 GO:0006446 GO:0017148 GO:0006399 GO:0043038 GO:0052564 GO:0033554

GO-Score 0.32 0.32 0.31 0.31 0.31 0.31 0.31 0.31 0.30 0.30

Cellular Component GO:0030312 GO:0044444

GO-Score 0.30 0.30

(a) Cscore^GO 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) RMSD^a is the RMSD between residues that are structurally aligned by TM-align.

(d) IDEN^a 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 Cscore^GO of the template.

[Click on S777079_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.