I-TASSER results

I-TASSER results for job id Rv2917

[Click on result.tar.bz2 to download the tarball file including all modelling results listed on this page]

Input Sequence in FASTA format

>protein (626 residues)
MRVTRLVDAESTRCDVGPAPKSVAMLHFTAATSRFRLGRERANSVRSDGGWGVLQPVSAT
FNPPLRGWQRRALVQYLGTQPRDFLAVATPGSGKTSFALRIAAELLRYHTVEQVTVVVPT
EHLKVQWAHAAAAHGLSLDPKFANSNPQTSPEYHGVMVTYAQVASHPTLHRVRTEARKTL
VVFDEIHHGGDAKTWGDAIREAFGDATRRLALTGTPFRSDDSPIPFVSYQPDADGVLRSQ
ADHTYGYAEALADGVVRPVVFLAYSGQARWRDSAGEEYEARLGEPLSAEQTARAWRTALD
PEGEWMPAVITAADRRLRQLRAHVPDAGGMIIASDRTTARAYARLLTTMTAEEPTVVLSD
DPGSSARITEFAQGTSRWLVAVRMVSEGVDVPRLSVGVYATNASTPLFFAQAIGRFVRSR
RPGETASIFVPSVPNLLQLASALEVQRNHVLGRPHRESAHDPLDGDPATRTQTERGGAER
GFTALGADAELDQVIFDGSSFGTATPTGSDEEADYLGIPGLLDAEQMRALLHRRQDEQLR
KRAQLQKGATQPATSGASASVHGQLRDLRRELHTLVSIAHHRTGKPHGWIHDERRRRCGG
PPIAAATRAQIKARIDALRQLNSERS

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 540 560 580 600 620 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MRVTRLVDAESTRCDVGPAPKSVAMLHFTAATSRFRLGRERANSVRSDGGWGVLQPVSATFNPPLRGWQRRALVQYLGTQPRDFLAVATPGSGKTSFALRIAAELLRYHTVEQVTVVVPTEHLKVQWAHAAAAHGLSLDPKFANSNPQTSPEYHGVMVTYAQVASHPTLHRVRTEARKTLVVFDEIHHGGDAKTWGDAIREAFGDATRRLALTGTPFRSDDSPIPFVSYQPDADGVLRSQADHTYGYAEALADGVVRPVVFLAYSGQARWRDSAGEEYEARLGEPLSAEQTARAWRTALDPEGEWMPAVITAADRRLRQLRAHVPDAGGMIIASDRTTARAYARLLTTMTAEEPTVVLSDDPGSSARITEFAQGTSRWLVAVRMVSEGVDVPRLSVGVYATNASTPLFFAQAIGRFVRSRRPGETASIFVPSVPNLLQLASALEVQRNHVLGRPHRESAHDPLDGDPATRTQTERGGAERGFTALGADAELDQVIFDGSSFGTATPTGSDEEADYLGIPGLLDAEQMRALLHRRQDEQLRKRAQLQKGATQPATSGASASVHGQLRDLRRELHTLVSIAHHRTGKPHGWIHDERRRRCGGPPIAAATRAQIKARIDALRQLNSERS
Prediction	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHCCCCEEEEHCCCCCHHHHHHHHHHHHHHHCCCEEEEEEHCCHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCEEEEEEEHHHCCCCCCHHHHCCCCCEEEEHCCCCCCCCCCHHHHHHHHCCHHHHHHHHCCCCCCCCCCCCCCEEHCCCCCCCCCCCCCCCCCHHHHHHCCCCCEEEEEEHCCCCCEHCCCHHHHHHHHCCCCCHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHCCCCCCEEEEHCCHHHHHHHHHHHHHHHCCCCEEEHCCCCCHHHHHHHHHCCCCCEEEEEEEEHCCCCCCCEEEEEEHCCCCCHHHHHHHHHHHHHCCCCCCEEEEHCCCCHHHHHHHHHHHHHHHHCCCCCCCCCCCCHHHHHHHHHHCCCCCCCCCCCCHCCCEEEEEEEEHCCCCCCCCCCCCCHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHHCC
Conf.Score	96654456655667888887766655556778877788877777666788888888889998775599999999999869986588758999757899999999999776548999967657699999999998875898888899998988877999754444476655565456774677647777777777899999865877777664599999899999975665799876545676555667777568875578876568975648746788887499999999999999975999976899999999999999977999876898656789999999999997999789985898756889998768985799999764478876445677645677567889999888765899975788668768999999999999875589999998999788888787578998877776545755775467876866788899999888887599999999999999999999999986654667778888888875899999999999999999875579998655688877769974677659999999999999998659
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 540 560 580 600 620 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MRVTRLVDAESTRCDVGPAPKSVAMLHFTAATSRFRLGRERANSVRSDGGWGVLQPVSATFNPPLRGWQRRALVQYLGTQPRDFLAVATPGSGKTSFALRIAAELLRYHTVEQVTVVVPTEHLKVQWAHAAAAHGLSLDPKFANSNPQTSPEYHGVMVTYAQVASHPTLHRVRTEARKTLVVFDEIHHGGDAKTWGDAIREAFGDATRRLALTGTPFRSDDSPIPFVSYQPDADGVLRSQADHTYGYAEALADGVVRPVVFLAYSGQARWRDSAGEEYEARLGEPLSAEQTARAWRTALDPEGEWMPAVITAADRRLRQLRAHVPDAGGMIIASDRTTARAYARLLTTMTAEEPTVVLSDDPGSSARITEFAQGTSRWLVAVRMVSEGVDVPRLSVGVYATNASTPLFFAQAIGRFVRSRRPGETASIFVPSVPNLLQLASALEVQRNHVLGRPHRESAHDPLDGDPATRTQTERGGAERGFTALGADAELDQVIFDGSSFGTATPTGSDEEADYLGIPGLLDAEQMRALLHRRQDEQLRKRAQLQKGATQPATSGASASVHGQLRDLRRELHTLVSIAHHRTGKPHGWIHDERRRRCGGPPIAAATRAQIKARIDALRQLNSERS
Prediction	64124333453441533232422231322333343434454444344533333143344563330110024003400464031000000110120000000001003430031000000011014100500131003011504226243143000000000000010120232044320000000000011021004002200440211000011012145210000312545502410300101000200110000000000100102112410321002022112462103001001226231010003001410441262001000000001362030004003502644000000124502620550263532000000000220100100000000000000000000011021234311000000000100400441244242013314567532462145044555465655430411304030020010001111224423621330000010031610340044025512553466656555455555444325304500420110000000114101120011015404111203002610450053035135658
	Values range from 0 (buried residue) to 8 (highly exposed residue)

Predicted Normalized B-facotr

(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

Rank

PDB
Hit

Iden1

Iden2

Cov

Norm.
Zscore

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                 560                 580                 600                 620

                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |

Sec.Str
Seq

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHCCCCEEEEHCCCCCHHHHHHHHHHHHHHHCCCEEEEEEHCCHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCEEEEEEEHHHCCCCCCHHHHCCCCCEEEEHCCCCCCCCCCHHHHHHHHCCHHHHHHHHCCCCCCCCCCCCCCEEHCCCCCCCCCCCCCCCCCHHHHHHCCCCCEEEEEEHCCCCCEHCCCHHHHHHHHCCCCCHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHCCCCCCEEEEHCCHHHHHHHHHHHHHHHCCCCEEEHCCCCCHHHHHHHHHCCCCCEEEEEEEEHCCCCCCCEEEEEEHCCCCCHHHHHHHHHHHHHCCCCCCEEEEHCCCCHHHHHHHHHHHHHHHHCCCCCCCCCCCCHHHHHHHHHHCCCCCCCCCCCCHCCCEEEEEEEEHCCCCCCCCCCCCCHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHHCC
MRVTRLVDAESTRCDVGPAPKSVAMLHFTAATSRFRLGRERANSVRSDGGWGVLQPVSATFNPPLRGWQRRALVQYLGTQPRDFLAVATPGSGKTSFALRIAAELLRYHTVEQVTVVVPTEHLKVQWAHAAAAHGLSLDPKFANSNPQTSPEYHGVMVTYAQVASHPTLHRVRTEARKTLVVFDEIHHGGDAKTWGDAIREAFGDATRRLALTGTPFRSDDSPIPFVSYQPDADGVLRSQADHTYGYAEALADGVVRPVVFLAYSGQARWRDSAGEEYEARLGEPLSAEQTARAWRTALDPEGEWMPAVITAADRRLRQLRAHVPDAGGMIIASDRTTARAYARLLTTMTAEEPTVVLSDDPGSSARITEFAQGTSRWLVAVRMVSEGVDVPRLSVGVYATNASTPLFFAQAIGRFVRSRRPGETASIFVPSVPNLLQLASALEVQRNHVLGRPHRESAHDPLDGDPATRTQTERGGAERGFTALGADAELDQVIFDGSSFGTATPTGSDEEADYLGIPGLLDAEQMRALLHRRQDEQLRKRAQLQKGATQPATSGASASVHGQLRDLRRELHTLVSIAHHRTGKPHGWIHDERRRRCGGPPIAAATRAQIKARIDALRQLNSERS

5ivwV

0.16

0.11

0.67

1.58

wdPPAS

MDLFDFYEQMDKDEEEEEETQTVSFEVKQEMIEELQKRCIHAEYDFRNDSVNPDINIDLKPTAVLRPYQEKSLRKMFGNGRAR-VIVLPCGAGKSLVGVTAACTV------KRCLVLGNSAVSVEQWKAQFKMW-STIDDSFTSDAKDKPIGCSVAISTYSMLGHTTKRSWEAERVMEGLMILDEVHTIP-AKMFRRVLTI---QAHCKLGLTATLVREDDK----KLYE--------------ANWMELQNNGYIAKVQCAEV-------PEFYREYVA------KTKKRILLYTMN--------PNKFRACQFLIKFHERR--NDKIIVFADNVFALKEYAIRLNKIYGPTSQ--------RMQILQNFKHNPKNTIFISKVGDTSFDLPEANVLIQISSGGSRRQEAQRLGRVLRA-KKGMVAFFY-----SLV--------------------SQDTQEMAYSTKRQR-----VDQGYS--------FKVITKLAGMEEDLAFSTKEEQQQL-------LQKVLA-------------------------------------------------------------------------------------------------

5ivwV

0.14

0.10

0.71

2.03

dPPAS

MDLFDFYEQMDKDEEEEEETQTVSFEVKQEMIEELQKRCIHAEYDFRNDSVNPDINIDLKPTAVLRPYQEKSLRKMFGNGRARSVIVLPCGAGKSLVGVTAACTVRK-----RCLVLGNSAVSVEQWKAQFKMWSTIDDSQICRFTSDKPIGCSVAISTYKRSWEAERVMEWLKTQEWGLMILDEVHTIP-AKMFRRVLTIV--QAHCKLGLTATLVREDDKIIGPKLYE--------------ANWMELQNNGYIAKVQCAEV-----WCPMSPEFYREYVAIKTKKRILLYTMN----------PNKFRACQFLIKFHERR--NDKIIVFADNVFALKEYAIRLNKIYGPTSQ------GERMQILQNFKHNPKNTIFISKVGDTSFDLPEANVLIQSSHGGSRRQEAQRLGRVLR-----------------------------------AKKGMVAE------------------------EYNAFFYSLVSQDT------------------------QEMAYSTKRQRFLVDQGYSFKVITKLAGMEEEDLAFSTKEEQQQLLQKVLA----------------------------------------------------

5ivwV

0.14

0.10

0.68

3.00

dPPAS2

KDEEEEEETQTVSFEVKQEQKRCIHLEYPLLAEYDFRNDSVNPDINIDLKPTA----------VLRPYQEKSLRKMFGNGRARSVIVLPCGAGKSLVGVTAACTVRK-----RCLVLGNSAVSVEQWKAQFKMWSTIDDSQICRFTSDKPIGCSVAISTYKRSWEAERVMEWLKTQEWGLMILDEVHTIP-AKMFRRVLTIV--QAHCKLGLTATLVREDDKP---KLYE--------------ANWMELQNNGIAKVQCAEVWCPM----SPEFYREYVAI----KTKKRILLYTMN--------PNKFRACQFLIKFHERR----NIIVFADNVFALKEYAIRLNKIYGPTSQ------GERMQILQNFKHNPKNTIFISKVGDTSFDLPEANVLIQSSHGGSRRQEAQRLGRVLR-----------------------------------AKKGMVAE------------------------EYNAFFYSLVS----------QDTQEMA----------------YSTKRQRFLVDQSFKVITKLAGMEEEDLAFSTKEEQQQLLQKVLA----------------------------------------------------

5ivwV

0.16

0.11

0.72

2.55

Env-PPAS

MDLFDFYEQMDKDEEEEEETQTVSFEVKQEMKRCIHLEYPLLAEYDFRNDSVNPDINILKPTAVLRPYQEKSLRKMFGNGRARSVIVLPCGAGKSLVGVTAACTVR-----KRCLVLGNSAVSVEQWKAQFKMWSTIDDSQICRFTSDKPIGCSVAISTYSMLGHTTKRSWEAERQEWGLMILDEVHTIP-AKMFRRVLTIV--QAHCKLGLTATLVREDDKIVDLNFL---IGPKL-----YEANWMELQNNGYIAKVQCAEV-----WCPMSPEFYREYVA--IKTKKRILLYTMN--------PNKFRACQFLIKFHERR--NDKIIVFADNVFALKEYAIRLNKIYGPTSQ----GE--RMQILQNFKHNPKNTIFISKVGDTSFDLPEANVLIQISSGGSRRQEAQRLGRVLR-AKKGMVAEEYNAFFYSLVS---------------------QDTQEMAYSTKRQ--RFLVDQGYS--------FKVITK--------LAGMEEE----DLA-FSTKEEQQQLLQKVLA------------------------------------------------------------------------------------------

2fwrA

0.21

0.14

0.64

1.90

dPPAS

MIAEIYYERGTIVVKGD---AHVPHAKFDSRSGTYRALAESNGIEFVDNAADPIPTPYFDAEISLRDYQEKALERWLVD--KRGCIVLPTGSGKTHVAMAAINELST-----PTLIVVPTLALAEQWKERLGIFGEEYVGEFSGRIKELKP---LTVSTYDSAYVN----AEKLGNRFMLLIFDEVHHLP-AESYVQIAQMS--IAPFRLGLTATFEREDGRVGGKVFELFPDSLAGKHLAKYTIAEDERVEYEKREKVYFLRARGITLRRAEDFNKIVMASGYDERAYEALRAWEEAR-----RIAFNSKNKIRKLREILERHRKDKIIIFTRHNELVYRISKVFLIITHRTSR------EEREEILEGFRTGRFRAIVSSQVLDEGIDVPDANVGVIMSGSGSAREYIQRLGRILRPSKGKKEAVLYEGTG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

2fwrA

0.22

0.13

0.58

1.49

wdPPAS

MIAEIYYERGT------KGDAHVPHAKFDSRSGTYRAGIEFVDNAAD-----PIPTPYFDAEISLRDYQEKALERWLVDK-RGCIVLPT-GSGKTHVAMAAINEL------TPTLIVVPTLALAEQWKERLGIFG------FSGRIKELKP---LTVSTYDSAYVN----AEKLGNRFMLLIFDEVHHLP-AESYVQIAQM---IAPFRLGLTATFEREDGGGK--VFEL----------------FPDSLAGKHLAKYTIKRI-----FVPLAEDERVEYEKREKVYKQFLRARGITLRRAEDEARRIAFNSKNKIRKLREILRKDKIIIFTRHNELVYRISKVFLIITHRTSR--------REEILEGFRTGRFRAIVSSQVLDEGIDVPDANVGVIMSGSGSAREYIQRLGRILRPSKGKKEAVLY--TG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

2fwrA

0.21

0.13

0.59

2.76

dPPAS2

MIAEIYGDAHVPHAKFDSRSGTYRALAFRYRDIIEYFESNGIEFVDNAADP--IPTPYFDAEISLRDYQEKALERWLVD--KRGCIVLPTGSGKTHVAMAAINELST-----PTLIVVPTLALAEQWKERLGIFGEEYVGEFSGRIKELKP---LTVSTYDSAYVN----AEKLGNRFMLLIFDEVHHLP-AESYVQIAQMS--IAPFRLGLTATFEREDGGGK--VFEL----------------FPDSLAGKHLAKYTIKRI-----FVPLAEDERVEYEKREKVLRAWEEARRIAFNS-----KNKIRKLREILERHRKD----KIIIFTRHNELVYRISKVFLIITHRTSR------EEREEILEGFRTGRFRAIVSSQVLDEGIDVPDANVGVIMSGSGSAREYIQRLGRILRPSKGKKTG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

5fmf1

0.17

0.12

0.71

2.06

Env-PPAS

---SAVIGGDNEREEEDDDIDAVHSFEIANESVEVEIDYPVLEEYDFRNDHRNPDLDDLKPSTQIRPYQEKSLSKMFGNRARSGIIVLPCGAGKTLVGITAACTIK-----KSVIVLCTSSVSVMQWRQQFLQWCTLQPENCSDNKEMFQTESGLVVSTYSMVANTRNRSHDSQKVMDGFIILDEVHVVP-AAMFRRVVSTI--AAHAKLGLTATLVREDD-KIGDLNF---LIGPKL------Y---EAIAN-------VQCAE---VWCPMTAEFYQEYLRE--TARKRMLLYIMN--------PTKFQACQFLIQYHERR--GDKIIVFSDNVYALQEYALKMGKIYGSTP------QQERMNILQNFQYNDQNTIFLSKVGDTSIDLPEATCLIQSSHYGSRRQEAQRLGRILRAKREGFNAFFY-----SLVS---------------------KDTQEMYYSTKRQ--------------------AFLVDGYAFKVITHLHGMENPNLA----YASPRERRELLQEVLAGI---EVDADNSVGR---------------------------------------------------------------------------

2ocaA

0.15

0.10

0.69

1.82

dPPAS

FRYGNWDGRIRLLDYNRLLPFGLVGFGYKAWIDPQINEKEELSRKDFDEWLSKLEIYSGNKRIEPHWYQKDAVFEGLVN--RRRILNLPTSAGRSLIQALLARYYLENYEG-KILIIVPTTALTTQMADDFVDYRIKKIGGGASKDDKYKNDAPVVVGTWQTVVKQP----KEWFSQFGMMMNDECHLATGK--SISSIISGLNNCMFKFGLSGSLRDGKANIFGEIFKPVTTSELKI-------------------NSIFLRYP----------DEFTTKLKGKTYQEEIKIITGL---------SKRNKWIAKLAIKLAQK--DENAFVMFKHVSHGKAIFDLIKNE-YDKVYYVSGEVDTRNIMKTLAENGKGIIIVASGVFSTGISVKNLHHVVLAHGVKSKIIVLQTIGRVLRKHGSKTIATVW--------DLIDDAGV----KPKSANTKKKYVHLNYLLKHGIDRIQRYADEKFNYVMKTVNLL--------------------------------------------------------------------------------------------------------------------------------------

5fmf1

0.19

0.13

0.66

1.43

wdPPAS

DDIDAVHSFEIANESVEVVKKRCQEIDYPVLEEYDFRNDHRNPD----------LDIDLKPSTQIRPYQEKSLSKMFGNRARSGIIVLPCGAGKTLVGITAACTI------KSVIVLCTSSVSVMQWRQQFLQW-CTLQPE-SDNKEMFQTESGLVVSTYSMVANSQKVMDFLTGREWGFIILDEVHVVP-AAMFRRVVST---AAHAKLGLTATLVREDDGP---KLYE-------------------AIANVQCAEVWC------------TAEFYQEYLRE--TARKRMLLYIMN--------PTKFQACQFLIQYHER----RGIIVFSDNVYALQEYALKMGKIYGSTPQ--------RMNILQNFQYNDQNTIFLSKVGDTSIDLPEATCLIQSSHYGSRRQEAQRLGRILRRNDEGFNAFFY-----SLV---------------------SKDTQEMYYSTKRQ-----VDQGYA--------FKVI---------HLHGMEN-------PNLASPRERRELLQEVLAG---IEVDADNSVGR---------------------------------------------------------------------------

(a)	Iden1 is the number of template residues identical to query divided by number of aligned residues.
(b)	Iden2 is the number of template residues identical to query divided by query sequence length.
(c)	Cov is equal the number of aligned template residues divided by query sequence length.
(d)	Norm. Zscore is the normalized Z-score of the threading alignments. A Normalized Z-score >1 means a good alignment.
(e)	Download Align. list the threading program used to identify the template provide the 3D structure of aligned regions of threading templates.

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.)

More about C-score

Local structure accuracy of first model

Download Model 1

C-score=-3.37

Estimated TM-score = 0.34±0.11

Estimated RMSD = 16.5±3.0Å

Download Model 2

C-score=-3.48

Download Model 3

C-score=-3.70

Download Model 4

C-score=-3.92

Download Model 5

C-score=-4.51

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.)

Top 10 Identified stuctural analogs in PDB

Rank	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov
1	5ivwV	0.684	2.23	0.150	0.722
2	5fmf1	0.619	3.71	0.154	0.714
3	5x0xO	0.551	5.83	0.114	0.713
4	4qqxA	0.515	5.74	0.099	0.668
5	1z3iX	0.508	5.71	0.090	0.661
6	5b7iA	0.508	6.23	0.082	0.695
7	5jc3A	0.507	5.10	0.112	0.634
8	3tmiA	0.495	5.44	0.084	0.625
9	5m59A	0.491	4.89	0.088	0.609
10	5aorA	0.490	5.91	0.062	0.656

(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 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
1	0.22	8	2fsgA	ATP	Rep, Mult	64,66,69,91,93,94,95,96
2	0.14	5	2y3tB	MG	Rep, Mult	94,95,184
3	0.03	1	3ebgA	ZN	Rep, Mult	166,170,175
4	0.03	1	2w00A	ATP	Rep, Mult	21,54,55,56,66,69,90,91,92,93,94,95,96,390,415,418
5	0.03	1	3af5A	ZN	Rep, Mult	242,243,361,587
6	0.03	1	4a36A	UUU	Rep, Mult	66,69,89,91,93,94,95,96,185,214,388,390,411,415,420
7	0.03	1	5e3hA	BEF	Rep, Mult	89,94,185,387

	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	0.060	1moqA	0.248	6.16	0.055	0.345	2.6.1.16	121
2	0.060	3kx2B	0.441	6.06	0.068	0.602	3.6.4.13	91,95,159,187,192
3	0.060	3pjrA	0.383	5.61	0.077	0.508	3.6.4.12	NA
4	0.060	2is6A	0.378	6.02	0.088	0.521	3.6.4.12	NA
5	0.060	2bhrA	0.386	4.93	0.079	0.479	3.4.21.91	NA
6	0.060	3ecqB	0.369	7.83	0.039	0.597	3.2.1.97	NA
7	0.060	1yksA	0.381	5.22	0.093	0.481	3.4.21.91	119,185,187,216
8	0.060	2is4B	0.377	5.91	0.071	0.511	3.6.1.-	NA
9	0.060	1ofdA	0.393	7.76	0.043	0.623	1.4.7.1	NA
10	0.060	1w36B	0.445	5.49	0.080	0.569	3.1.11.5	NA
11	0.060	8ohmA	0.368	4.76	0.079	0.455	2.7.7.48	119,185,187,216
12	0.060	3i62A	0.470	5.59	0.084	0.612	3.6.4.13	69,95,388,390,392,418
13	0.060	3e90D	0.120	5.65	0.064	0.161	3.4.21.91	120,124
14	0.060	2vsfA	0.428	4.31	0.132	0.503	3.6.4.12	92,94,214
15	0.060	1oyyA	0.446	5.11	0.107	0.557	3.6.4.12	91,94,123,185,411,415,418
16	0.060	2vf4X	0.248	6.03	0.055	0.342	2.6.1.16	134
17	0.060	1ea0A	0.383	7.67	0.036	0.602	1.4.1.13	NA
18	0.060	1bxrA	0.345	7.95	0.032	0.562	6.3.5.5	NA
19	0.060	2wwyA	0.435	5.62	0.099	0.572	3.6.4.12	415,418

(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
Homologous GO templates in PDB
0	0.25	0.684	2.23	0.15	0.72	5ivwV	GO:0000166 GO:0000439 GO:0000717 GO:0001666 GO:0003677 GO:0003684 GO:0004003 GO:0004386 GO:0004672 GO:0005524 GO:0005525 GO:0005634 GO:0005654 GO:0005675 GO:0006265 GO:0006281 GO:0006283 GO:0006289 GO:0006293 GO:0006294 GO:0006295 GO:0006296 GO:0006351 GO:0006355 GO:0006361 GO:0006362 GO:0006363 GO:0006366 GO:0006367 GO:0006368 GO:0006370 GO:0006468 GO:0006915 GO:0006974 GO:0006979 GO:0008022 GO:0008094 GO:0008104 GO:0008134 GO:0008353 GO:0009411 GO:0009650 GO:0016032 GO:0016787 GO:0016887 GO:0032564 GO:0033683 GO:0035315 GO:0042277 GO:0043065 GO:0043138 GO:0045944 GO:0047485 GO:0048568 GO:0070911 GO:1901990
1	0.24	0.619	3.71	0.15	0.71	5fmf1	GO:0000019 GO:0000112 GO:0000166 GO:0000439 GO:0000990 GO:0001111 GO:0001113 GO:0003677 GO:0004003 GO:0004386 GO:0005524 GO:0005634 GO:0005675 GO:0005829 GO:0006281 GO:0006289 GO:0006351 GO:0006355 GO:0006366 GO:0006367 GO:0006974 GO:0010525 GO:0015616 GO:0016787 GO:0016973 GO:0032508 GO:0033683 GO:0070816 GO:0097550
2	0.15	0.442	4.86	0.13	0.55	1wp9A	GO:0000166 GO:0003676 GO:0003677 GO:0004386 GO:0004518 GO:0005524 GO:0006259 GO:0006281 GO:0046872 GO:0090305
3	0.15	0.439	5.67	0.12	0.57	5jbjA	GO:0003677 GO:0005524 GO:0016787 GO:0016817
4	0.07	0.515	5.78	0.10	0.67	4qqwA	GO:0000166 GO:0005524 GO:0046872
5	0.07	0.507	5.94	0.09	0.67	4qqxG	GO:0000166 GO:0005524 GO:0046872
6	0.07	0.491	6.30	0.09	0.66	4q2dA	GO:0000166 GO:0005524
7	0.07	0.481	5.67	0.12	0.63	5jb2A	GO:0003677 GO:0005524 GO:0016787 GO:0016817
8	0.07	0.456	5.31	0.08	0.58	2zj8A	GO:0000166 GO:0003676 GO:0003677 GO:0004386 GO:0005524 GO:0006281 GO:0006974 GO:0016787 GO:0016818
9	0.07	0.465	4.38	0.14	0.56	3h1tA	GO:0000166 GO:0003677 GO:0003824 GO:0005524 GO:0006304 GO:0016787
10	0.06	0.303	5.61	0.10	0.39	1z6aA	GO:0004386 GO:0005524
11	0.06	0.311	3.77	0.10	0.36	2fwrA	GO:0000166 GO:0003677 GO:0005524 GO:0016787
12	0.06	0.288	6.66	0.03	0.42	3k9dA	GO:0004029 GO:0008152 GO:0016491 GO:0016620 GO:0055114
13	0.06	0.389	6.25	0.08	0.54	2eyqA	GO:0000166 GO:0000716 GO:0003676 GO:0003677 GO:0003684 GO:0004386 GO:0005524 GO:0005737 GO:0005829 GO:0006281 GO:0006355 GO:0006974 GO:0008026 GO:0015616 GO:0016787 GO:0043175
14	0.06	0.207	8.38	0.04	0.35	4o1pC	GO:0000166 GO:0004540 GO:0004672 GO:0005524 GO:0006397 GO:0006468 GO:0046872 GO:0090501
15	0.06	0.233	3.62	0.11	0.27	3i32A	GO:0000166 GO:0003676 GO:0004386 GO:0005524 GO:0016787
16	0.06	0.201	7.31	0.03	0.31	1gttA	GO:0003824 GO:0008152 GO:0008704 GO:0016829 GO:0016853 GO:0018800 GO:0019439 GO:0046872 GO:1901023
17	0.06	0.200	3.16	0.17	0.22	3b6eA	GO:0000166 GO:0002376 GO:0003677 GO:0003723 GO:0003725 GO:0003727 GO:0004386 GO:0005524 GO:0005634 GO:0005737 GO:0005829 GO:0008270 GO:0009597 GO:0009615 GO:0016032 GO:0016787 GO:0016817 GO:0016925 GO:0032480 GO:0032727 GO:0032728 GO:0034344 GO:0039528 GO:0039530 GO:0043021 GO:0045087 GO:0046872 GO:0051607
18	0.06	0.177	7.08	0.06	0.27	4g6zA	GO:0000049 GO:0000166 GO:0004812 GO:0004818 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006424 GO:0016874 GO:0016876 GO:0043039

Consensus prediction of GO terms

Molecular Function	GO:0005524	GO:0003677	GO:0032558	GO:0032561	GO:0004674	GO:0033218	GO:0005515	GO:0000988	GO:0004003	GO:0043169	GO:0016788
GO-Score	0.62	0.59	0.50	0.50	0.50	0.50	0.50	0.48	0.43	0.42	0.31
Biological Processes	GO:1901987	GO:0007346	GO:0009416	GO:0043068	GO:0006464	GO:0006354	GO:0048513	GO:0042981	GO:0009452	GO:0016310	GO:0044764	GO:0006397	GO:0044772	GO:0030182	GO:0032508	GO:0006360	GO:0044403	GO:0065004	GO:0036293	GO:0006353	GO:0031334	GO:0006357	GO:0009790	GO:0045893	GO:0009913	GO:0000018	GO:0001109	GO:0032197	GO:0001112	GO:0006406	GO:0006312	GO:0010528	GO:0006367	GO:0033683
GO-Score	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.50	0.48	0.48	0.48	0.48	0.48	0.48	0.48	0.43	0.43
Cellular Component	GO:0032993	GO:0044444	GO:0000109	GO:0000439	GO:0005675
GO-Score	0.48	0.48	0.48	0.43	0.43

(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 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.