I-TASSER results

I-TASSER results for job id Rv0755c

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

Input Sequence in FASTA format

>protein (645 residues)
MVGFAWLPPETNSLRMYLGAGSRPLLAAAGAWDGLAEELHAAASSFGSVTSELAGGAWQG
PASAAMANAAGPYASWLTAAGAQAELAARQARAAAGAFEEALAGVVHPAVVQANRVRTWL
LAVSNVFGQNAPAIAAMESTYEQMWAQDVAVMAGYHAASSAAAAQLASWQPALPNINLGV
GNIGNLNVGNGNTGDYNLGNGNLGNANFGGGNGSAFHGQISSFNVGSGNIGNFNLGSGNG
NVGIGPSSFNVGSGNIGNANVGGGNSGDNNFGFGNFGNANIGIGNAGPNMSSPAVPTPGN
GNVGIGNGGNGNFGGGNTGNANIGLGNVGDGNVGFGNSGSYNFGFGNTGNNNIGIGLTGS
NQIGFGGLNSGSGNIGFGNSGTGNIGFFNSGSGNFGVGNSGVTNTGVANSGNINTGFGNS
GFINTGFGNALSVNTGFGNSGQANTGIGNAGDFNTGNFNGGIINTGSFNSGAFNSGSFNG
GDANSGFLNSGLTNTGFANSGNINTGGFNAGNLNTGFGNTTDGLGENSGFGNAGSGNSGF
NNSGRGNSGAQNVGNLQISGFANSGQSVTGYNNSVSVTSGFGNKGTGLFSGFMSGFGNTG
FLQSGFGNLEANPDNNSATSGFGNSGKQDSGGFNSIDFVSGFFHR

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 540 560 580 600 620 640 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MVGFAWLPPETNSLRMYLGAGSRPLLAAAGAWDGLAEELHAAASSFGSVTSELAGGAWQGPASAAMANAAGPYASWLTAAGAQAELAARQARAAAGAFEEALAGVVHPAVVQANRVRTWLLAVSNVFGQNAPAIAAMESTYEQMWAQDVAVMAGYHAASSAAAAQLASWQPALPNINLGVGNIGNLNVGNGNTGDYNLGNGNLGNANFGGGNGSAFHGQISSFNVGSGNIGNFNLGSGNGNVGIGPSSFNVGSGNIGNANVGGGNSGDNNFGFGNFGNANIGIGNAGPNMSSPAVPTPGNGNVGIGNGGNGNFGGGNTGNANIGLGNVGDGNVGFGNSGSYNFGFGNTGNNNIGIGLTGSNQIGFGGLNSGSGNIGFGNSGTGNIGFFNSGSGNFGVGNSGVTNTGVANSGNINTGFGNSGFINTGFGNALSVNTGFGNSGQANTGIGNAGDFNTGNFNGGIINTGSFNSGAFNSGSFNGGDANSGFLNSGLTNTGFANSGNINTGGFNAGNLNTGFGNTTDGLGENSGFGNAGSGNSGFNNSGRGNSGAQNVGNLQISGFANSGQSVTGYNNSVSVTSGFGNKGTGLFSGFMSGFGNTGFLQSGFGNLEANPDNNSATSGFGNSGKQDSGGFNSIDFVSGFFHR
Prediction	CCCCCCCCCHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHCCCCCCCCCHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Conf.Score	998655786567665457899789999999999999999999999999999875677788599999999999999999999999999999999999999999877887788778999999998755567776545666666545555667777777777766667788888877888887777777778877778888887788788888877878888888888888888888888888888888888888888888888888888888888888888888888988888889889998888888888888888899988988899998998888898888899999989988888888899888889888888888999888888899988888889999999888999888888999999998889999998888999999888899999998899998998888998899888999999998899999999889999899988999999998888888888888888899899888999999998889998899888899998888889888888888888888888899888888888988888888888888888888899888888889988887889
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 540 560 580 600 620 640 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MVGFAWLPPETNSLRMYLGAGSRPLLAAAGAWDGLAEELHAAASSFGSVTSELAGGAWQGPASAAMANAAGPYASWLTAAGAQAELAARQARAAAGAFEEALAGVVHPAVVQANRVRTWLLAVSNVFGQNAPAIAAMESTYEQMWAQDVAVMAGYHAASSAAAAQLASWQPALPNINLGVGNIGNLNVGNGNTGDYNLGNGNLGNANFGGGNGSAFHGQISSFNVGSGNIGNFNLGSGNGNVGIGPSSFNVGSGNIGNANVGGGNSGDNNFGFGNFGNANIGIGNAGPNMSSPAVPTPGNGNVGIGNGGNGNFGGGNTGNANIGLGNVGDGNVGFGNSGSYNFGFGNTGNNNIGIGLTGSNQIGFGGLNSGSGNIGFGNSGTGNIGFFNSGSGNFGVGNSGVTNTGVANSGNINTGFGNSGFINTGFGNALSVNTGFGNSGQANTGIGNAGDFNTGNFNGGIINTGSFNSGAFNSGSFNGGDANSGFLNSGLTNTGFANSGNINTGGFNAGNLNTGFGNTTDGLGENSGFGNAGSGNSGFNNSGRGNSGAQNVGNLQISGFANSGQSVTGYNNSVSVTSGFGNKGTGLFSGFMSGFGNTGFLQSGFGNLEANPDNNSATSGFGNSGKQDSGGFNSIDFVSGFFHR
Prediction	642100000010001010000000010001001100300120020010000000012110000000000000003001100310220031023001001001100011010100000001000000001310110402432442313311223222210232232223122222223332322232222212221333322222222321222122222223232222121331222221322233233112221213312122131331312212143121211214332231221313313233131321103213133131321313213131131331414313133111321234443241421414212122131431312213142020201214413132131331213213133111211324412122131431203213143120221314313132131431313213143120211313311021141431201112133110221335443413131131321202212143110221313444413314143231231314313121131432323213131010221312313433424143120210314311011031433102114
	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                 640

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

Sec.Str
Seq

CCCCCCCCCHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHCCCCCCCCCHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
MVGFAWLPPETNSLRMYLGAGSRPLLAAAGAWDGLAEELHAAASSFGSVTSELAGGAWQGPASAAMANAAGPYASWLTAAGAQAELAARQARAAAGAFEEALAGVVHPAVVQANRVRTWLLAVSNVFGQNAPAIAAMESTYEQMWAQDVAVMAGYHAASSAAAAQLASWQPALPNINLGVGNIGNLNVGNGNTGDYNLGNGNLGNANFGGGNGSAFHGQISSFNVGSGNIGNFNLGSGNGNVGIGPSSFNVGSGNIGNANVGGGNSGDNNFGFGNFGNANIGIGNAGPNMSSPAVPTPGNGNVGIGNGGNGNFGGGNTGNANIGLGNVGDGNVGFGNSGSYNFGFGNTGNNNIGIGLTGSNQIGFGGLNSGSGNIGFGNSGTGNIGFFNSGSGNFGVGNSGVTNTGVANSGNINTGFGNSGFINTGFGNALSVNTGFGNSGQANTGIGNAGDFNTGNFNGGIINTGSFNSGAFNSGSFNGGDANSGFLNSGLTNTGFANSGNINTGGFNAGNLNTGFGNTTDGLGENSGFGNAGSGNSGFNNSGRGNSGAQNVGNLQISGFANSGQSVTGYNNSVSVTSGFGNKGTGLFSGFMSGFGNTGFLQSGFGNLEANPDNNSATSGFGNSGKQDSGGFNSIDFVSGFFHR

4b2nA

0.09

0.97

1.38

MUSTER

-----ALP------LLDQASIRSPLMVGCN--DSTPLPVDPRSLVKQGVNSNPNAALQFNAYFVDLHNPPPPFVNRLPPRPTTCGQFRASATRGRVNLEER--QFFQP---MALATSYHFIFLQWGYLIRPPDFEEQVSKRYGLYPAPFRNPYPLPGEDPNQTNGGSGQLPLGLIQGKDDNGRWTGLIGAS-DSRLGTASEASFKWGLPNSANDAGLLASDMFRTTPITALGNLLPLPWSTGRGSSDAIGLISLLPALFDMETLTLAPSLLEYVADAPHAGMTKAPAWWARAFKTRQFWDGSLSSDNVHSEAFGVANIFRDANARRGLEDEFEDINNFLISLSPATYPKTINTALAEQGAVIYHERDLWASGANGAIPKPAGNGSCASCHGVYSPRHAADPNYLPDPRLKGVAAVVTPIETRTDPRRMRLMADERQRRAWNSGWWAYNNLSPSWTGYPSDNIVASELRRVPRAIYNNGGPIYSPLG-PNIWEEPTGYIAPPLYGAWATAPYFHNGSVPNLWGVLKPSDRPKLWKRPYTAAGIGGKNAGYDYSFASYDWQKLGWKYTAVACNNSIFTSPFLPCTHNMATIDILYSMWDNVAAQYLNLAYQSPPPITDQQIKSRMVYNSYLYGNDNGG-HDFTQSLT

2g38B

0.34

0.09

0.27

1.67

dPPAS

--AFEAYPPEVNSANIYAGPGPDSMLAAARAWRSLDVEMTAVQRSFNRTLLSL-MDAWAGPVVMQLMEAAKPFVRWLTDLCVQLSEVERQIHEIVRAYEWAHHDMVPLAQIYNNRAERQILIDNNALGQFTAQIADLDQEYDDFWDEDGEVMRDYRLRVSDALSKLTPWKAPPPIA-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

5fmwA

0.06

0.04

0.74

1.59

dPPAS

-------------------------------------------------------------------------------------------------------------------------------------------------SHRMSPWSEWSQCDPCLRQMFRSRSIEVFGQFNGKRCTDAVGDRRQCVPTEPCECGNDFQCSTGRCIKMRLRCNGDNDCGDFSDEDDCESEPRPPCRDRVVEESELARTAGYGINILGMDPLSTPFDNEFYNGLCNRDRDGNTLTYYRRPWNVASLIYETKGEKNFRTEHYEEQIEAFKSIIQEKTSNFNAAISLKFTPGKGSFRFSYSKNETYQLFLSYSSKKEKMFLHVKGEIHLGRFVMRNRDVVTTTFVDDIKALPTTYEKGEYFAFLETYGTHYSSSGSLGGLYELIYVLDKASMKRKGVELKDIKRCLGYHLDVSLAFSEISVGAEFNKDDCVKRGEGRAVNITSENLIDDVVSLIRGGTRKYAFELKEKLLRGTVIDVTDFVNWASSINDAPVLISQKLSPIYNLVPVKMKNAHLKKQNLERAIEDYINEFSVRKCHTCQNGGTVILMDGKCLCACPFKFEGIACEISKQ-----------------------

2g38B

0.34

0.09

0.27

2.99

wdPPAS

--AFEAYPPEVNSANIYAGPGPDSMLAAARAWRSLDVEMTAVQRSFNRTLLSL-MDAWAGPVVMQLMEAAKPFVRWLTDLCVQLSEVERQIHEIVRAYEWAHHDMVPLAQIYNNRAERQILIDNNALGQFTAQIADLDQEYDDFWDEDGEVMRDYRLRVSDALSKLTPWKAPPPIA-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

5ak1A

0.13

0.99

1.48

wMUSTER

VKELGFLYPGYAVNEIDKGANNGNAQWARDFWKFYAPRYA-----ETHVLVAWGPPYSSSTANPPGAVDEIDVYRIIRTYAPGGKGGAAEALKDIRAFNKAVFGGYAGWQETTIAVEELLKAGYPCFGSGGGLDVELTYELERLGVSQYIPPTGVSDDVTKPEYFSALVENSGLSWTPDYGNWPAARGVYGNGGLARETATWINNFLTGTTRIEAEDFDWGGNGVSYYDTDSVNVGGQYRPDEGVKTSDTGGGYNVGWISEGVRNPGYYNLSLRVAGISGSRVQVSFGNQDKTGVWELPATGGFQTWTTATRQVFLGAGLQKLRINALSGGPISTGTIPDGTYKFLNRANGKTLQEVTGNNSIITADYKGITEQHWKIQHIGGGQYRISSAGRGWNWNWWGFGTVGWWGTGSSTC-SPTGDGYYRIVLVGDGTNLQISSGDPSKIEGKAFHGGANQQWAILPVSAPAFPTGLSAVLDSSGNTAAPGANSRSTKSGGPYTTNITSTNYTDTGVATGNGVETLNSAEAILQYPKLTGTVIGTQGSWNNIGNTIHKAFDGDLNTFFDGPTANGCWLGLDFGEGVRNVITQIKFCPRSGYEQRIGGIFQGANKEDFSDAVTLFTITSLPGSGTLTVDNPTGSPDGSNGN

2g38B

0.34

0.09

0.27

1.83

wMUSTER

---FEAYPPEVNSANIYAGPGPDSMLAAARAWRSLDVEMTAVQRSFNRTLLSL-MDAWAGPVVMQLMEAAKPFVRWLTDLCVQLSEVERQIHEIVRAYEWAHHDMVPLAQIYNNRAERQILIDNNALGQFTAQIADLDQEYDDFWDEDGEVMRDYRLRVSDALSKLTPWKAPPPIA-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

4uicA

0.08

0.99

1.77

PPAS

VTETGQFPDIKDVYAAYNKA-KQAYANAVAVVNKAGAKKDAYLADLQAIYETYVFKANPATKLDKMRQELKAAVDALKKAEELYHKISYELKTRTVILDRVYGQSTRELLRSTFKADAQALRDR-LIYDITVAMKAREAQDAVKAGNLDKAKAALDQVNQYVSKVTDAFKAELQKAAQDAKAAYEAALTPKVESVSAIDSTSFKVTFTKPVDKATAIPKNFSITLKGTETKLYPKSVEVSESGLTATVTLYDTLVDGKTYTVVTSGLKDTAGKEFETSTNEFTYNKPVPASITFNFNKLPEDSAVDLTKYVTVKDAAGNVIKSGFELEFTSSEKLTQGKFINTTGKKSVIVNATVKGTNVTTGNVILAVEDEKAAEVSELKLTKDNKEVVTLYANG--NAFDKDGNQISSGTLTLTAKFKDQYGNELTGKVAGTDYTFESLNPEVLVVAPDGSVTPI-VPGTALVKVKYGEVTKTIPVTVKANPVLETIAVDSTGVSVAKGQKATQYGNKFTGNVNVTSDKTETATVSVSNSGIGQSEYTVTVNGVAEGSTKSGTKEVKVPVNVVAGGPVANYQIKVLVQLKVYAVDANGNIVGDITNDVTITSGVIVNASKSTANGDTVYVITDNETKLGTVTLGTVDVEVLKA

2g38B

0.34

0.09

0.27

4.01

wPPAS

--AFEAYPPEVNSANIYAGPGPDSMLAAARAWRSLDVEMTAVQRSFNRTLLSL-MDAWAGPVVMQLMEAAKPFVRWLTDLCVQLSEVERQIHEIVRAYEWAHHDMVPLAQIYNNRAERQILIDNNALGQFTAQIADLDQEYDDFWDEDGEVMRDYRLRVSDALSKLTPWKAPPPIA-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

4uicA

0.09

1.00

1.02

Env-PPAS

VTETGQFPDIKDVYAAYNKA-KQAYANAVAVVNKAGAKKDAYLADLQAIYETYVFKANPATKLDKMRQELKAAVDALKKAEELYHKISYELKTRTVILDRVYGQSTRELLRSTFKADAQALRDR-LIYDITVAMKAREAQDAVKAGNLDKAKAALDQVNQYVSKVTDAFKAELQKAAQDAKAAYEAALTPKSTSFKVTFTKPVDKATAIPKNFSITLKGTETKLYPKSVEVSESGLTATVTLYDTLVDGKTYTVVTSGLKDTAGKEFETSTNEFTYNKPVPASITFNFNKLPEDSAVDLTKYVTVKDAAGNVIKSGFELEFTSSEKLTQGKFINTTGKKSVIVNATVKGTNVTTGNVILAVEDEKAAEVSELKLTKDNKEVVTLYANGNAFDKDGNQISSGTLTLTAKFKDQYGNELTGKVAGTDYTFESLNPEVLVVAPDGSVTPI-VPGTALVKVKYGEVTKTIPVTVKANPVLETIAVDSTGVSVAKGQKATLKDQYGNKFTGNVNVTSDKTETSVSNSGIGQSEYTVTVNGVAEGSTTITIKSGTKEVKVPVNVVAGGPVANYQIKVLVQLKVYAVDANGNGDITNDVTITSGVIVNASKSTANGDTVYVITDNETLTVKLGTVTLGTVDVEVLKATVVTK

2g38B

0.34

0.09

0.27

4.07

dPPAS2

--AFEAYPPEVNSANIYAGPGPDSMLAAARAWRSLDVEMTAVQRSFNRTLLSL-MDAWAGPVVMQLMEAAKPFVRWLTDLCVQLSEVERQIHEIVRAYEWAHHDMVPLAQIYNNRAERQILIDNNALGQFTAQIADLDQEYDDFWDEDGEVMRDYRLRVSDALSKLTPWKAPPPIA-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

(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 2 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=0.23

Estimated TM-score = 0.74±0.11

Estimated RMSD = 7.4±4.2Å

Download Model 2

C-score=-1.38

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	4b2nA	0.944	1.46	0.080	0.966
2	1llwA	0.345	8.37	0.066	0.574
3	5a22A	0.341	8.07	0.053	0.555
4	1t3tA	0.341	8.20	0.039	0.563
5	2cse1	0.337	7.80	0.039	0.532
6	4r04A	0.335	7.60	0.057	0.518
7	2vdcA	0.333	7.95	0.035	0.538
8	4a01A	0.330	8.14	0.056	0.539
9	4bgdA	0.329	7.76	0.024	0.524
10	4aayA	0.328	8.17	0.043	0.546

(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	0.09	5	1fiqA	FES	Rep, Mult	393,395,396,397,398,404,409,411
2	0.04	2	3njbB	IOD	Rep, Mult	88,89,92
3	0.04	2	2quaA	CA	Rep, Mult	418,419,420,421,424,436,441,442,454
4	0.02	1	1h80A	CA	Rep, Mult	440,474,476
5	0.02	1	4b2nA	HEM	Rep, Mult	238,246,248,249,283,284,285,286,288,291,294,297,298,299,311,313,332,339,427
6	0.02	1	4b2nA	HEM	Rep, Mult	299,385,386,389,390,417,423,497,498,499,500,502,511,512,513,520,523,524,637,639
7	0.02	1	4aljF	GLU	Rep, Mult	23,346,347
8	0.02	1	3nw3A	MU2	Rep, Mult	360,361
9	0.02	1	3huzP	MG	Rep, Mult	542,544
10	0.02	1	1wygA	CA	Rep, Mult	448,455,456,457,484
11	0.02	1	2g38B	MN	Rep, Mult	150,153,154
12	0.02	1	1go7P	CA	Rep, Mult	542,543,544,547,560,561,562,565
13	0.02	1	3x0oA	MN	Rep, Mult	138,142
14	0.02	1	1ktwA	CA	Rep, Mult	338,374,376
15	0.02	1	2zj6A	CA	Rep, Mult	580,582,590,591,594,598
16	0.02	1	2b9lA	UUU	Rep, Mult	530,532
17	0.02	1	4unwB	FUL	Rep, Mult	352,356
18	0.02	1	2ckjB	FES	Rep, Mult	517,518,522,523,525,528,529,636
19	0.02	1	4iblL	FUC	Rep, Mult	565,567
20	0.02	1	2c4dA	NAG	Rep, Mult	598,603,605,606,629

	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	3fedA	0.310	8.34	0.044	0.512	3.4.17.21	NA
2	0.060	2c1vA	0.311	4.42	0.055	0.367	1.11.1.5	NA
3	0.060	1yq2A	0.308	8.06	0.034	0.505	3.2.1.23	NA
4	0.060	2z8yD	0.303	7.85	0.059	0.487	1.2.7.4,1.2.99.2	440,447
5	0.060	2j5wA	0.314	8.08	0.026	0.518	1.16.3.1	NA
6	0.060	1e1cA	0.304	8.07	0.041	0.493	5.4.99.2	NA
7	0.060	2r7oA	0.303	8.46	0.036	0.516	2.7.7.48	NA
8	0.060	1ofdA	0.296	8.12	0.036	0.485	1.4.7.1	NA
9	0.060	1h0hA	0.318	7.66	0.081	0.502	1.2.1.2	NA
10	0.060	1vlbA	0.313	7.80	0.050	0.491	1.2.99.7	NA
11	0.060	1n1hA	0.338	7.87	0.049	0.536	2.7.7.48	476
12	0.060	1ea0A	0.329	7.84	0.033	0.527	1.4.1.13	NA
13	0.060	2ivfA	0.310	8.13	0.040	0.502	1.17.99.2	341
14	0.060	1l5jA	0.312	7.99	0.025	0.507	4.2.1.3	29,93,338,342
15	0.060	1bglA	0.311	7.63	0.061	0.491	3.2.1.23	NA
16	0.060	2hpiA	0.280	8.50	0.045	0.468	2.7.7.7	492
17	0.060	1reqA	0.304	8.01	0.044	0.491	5.4.99.2	NA
18	0.060	2eabA	0.321	7.96	0.039	0.515	3.2.1.63	NA
19	0.060	2vhdA	0.306	4.28	0.057	0.358	1.11.1.5	NA

(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	0.23	0.944	1.46	0.08	0.97	4b2nA	GO:0009055 GO:0020037 GO:0046872
1	0.06	0.333	7.95	0.04	0.54	2vdcA	GO:0003824 GO:0004355 GO:0006537 GO:0006541 GO:0006807 GO:0008152 GO:0008652 GO:0015930 GO:0016491 GO:0016638 GO:0046872 GO:0051536 GO:0051538 GO:0055114 GO:0097054
2	0.06	0.345	8.37	0.07	0.57	1llwA	GO:0003824 GO:0005737 GO:0006537 GO:0006541 GO:0006807 GO:0008152 GO:0008652 GO:0015930 GO:0016041 GO:0016491 GO:0016638 GO:0019676 GO:0046872 GO:0051536 GO:0051538 GO:0055114 GO:0097054
3	0.06	0.296	8.12	0.04	0.49	1ofdA	GO:0003824 GO:0005737 GO:0006537 GO:0006541 GO:0006807 GO:0008152 GO:0008652 GO:0015930 GO:0016041 GO:0016491 GO:0016638 GO:0019676 GO:0046872 GO:0051536 GO:0051538 GO:0055114 GO:0097054
4	0.06	0.329	7.84	0.03	0.53	1ea0A	GO:0003824 GO:0004355 GO:0006537 GO:0006541 GO:0006807 GO:0008152 GO:0008652 GO:0015930 GO:0016491 GO:0016638 GO:0046872 GO:0051536 GO:0051538 GO:0055114 GO:0097054
5	0.06	0.264	6.95	0.06	0.39	2cb1A	GO:0003824 GO:0016829 GO:0030170
6	0.06	0.271	7.73	0.06	0.43	3ictA	GO:0000166 GO:0003756 GO:0005623 GO:0016491 GO:0045454 GO:0050451 GO:0050660 GO:0050661 GO:0055114
7	0.06	0.248	7.26	0.03	0.38	1kbiA	GO:0003824 GO:0004460 GO:0005739 GO:0005743 GO:0005758 GO:0005829 GO:0006089 GO:0006626 GO:0010181 GO:0016491 GO:0020037 GO:0046872 GO:0055114 GO:0070469
8	0.06	0.204	7.51	0.05	0.32	1sezA	GO:0004729 GO:0005739 GO:0006779 GO:0006782 GO:0006783 GO:0016491 GO:0055114
9	0.06	0.223	7.13	0.04	0.34	1ldcB	GO:0003824 GO:0004460 GO:0005739 GO:0005743 GO:0005758 GO:0005829 GO:0006089 GO:0006626 GO:0010181 GO:0016491 GO:0020037 GO:0046872 GO:0055114 GO:0070469
10	0.06	0.208	6.60	0.06	0.30	4dppA	GO:0003824 GO:0008152 GO:0008652 GO:0008840 GO:0009085 GO:0009089 GO:0009507 GO:0009536 GO:0016829 GO:0019877
11	0.06	0.206	7.07	0.02	0.31	4n02A	GO:0000287 GO:0003824 GO:0004452 GO:0005737 GO:0008299 GO:0010181 GO:0016491 GO:0016853 GO:0046872 GO:0055114 GO:0070402
12	0.06	0.210	6.75	0.06	0.30	4hnnF	GO:0003824 GO:0008152 GO:0008840 GO:0009089 GO:0016829
13	0.06	0.199	6.35	0.05	0.28	4q16D	GO:0000166 GO:0003952 GO:0005524 GO:0005737 GO:0008795 GO:0009435 GO:0016874
14	0.06	0.183	8.05	0.02	0.30	4a0kA	GO:0000082 GO:0000715 GO:0000717 GO:0001701 GO:0005654 GO:0006281 GO:0006283 GO:0006293 GO:0006294 GO:0006295 GO:0006296 GO:0006511 GO:0006974 GO:0007050 GO:0008284 GO:0008285 GO:0016032 GO:0016567 GO:0030097 GO:0030853 GO:0031461 GO:0031464 GO:0031625 GO:0033683 GO:0035019 GO:0042769 GO:0042787 GO:0043161 GO:0051246 GO:0061630 GO:0070911 GO:0080008 GO:0097193 GO:1900087 GO:2000001 GO:2000819
15	0.06	0.246	7.25	0.05	0.37	1hr6A	GO:0003824 GO:0004222 GO:0005739 GO:0005743 GO:0005759 GO:0006508 GO:0006626 GO:0006627 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0017087 GO:0046872
16	0.06	0.207	7.48	0.05	0.32	1oc5A	GO:0000272 GO:0004553 GO:0005576 GO:0005975 GO:0008152 GO:0016162 GO:0016787 GO:0016798 GO:0030245 GO:0030248
17	0.06	0.180	6.56	0.04	0.26	4gq0A	GO:0001523 GO:0001758 GO:0004033 GO:0005576 GO:0005764 GO:0005829 GO:0006081 GO:0007586 GO:0008202 GO:0016488 GO:0016491 GO:0044597 GO:0044598 GO:0045550 GO:0047718 GO:0055114 GO:0070062
18	0.06	0.175	6.38	0.06	0.25	4z7rA	GO:0006810 GO:0018189

Consensus prediction of GO terms

Molecular Function	GO:0051536	GO:0046906	GO:0046872	GO:0003824
GO-Score	0.46	0.46	0.41	0.33
Biological Processes	GO:0006520	GO:0006537
GO-Score	0.46	0.46
Cellular Component	GO:0005737
GO-Score	0.12

(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.