I-TASSER results

I-TASSER results for job id Rv3533c

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

Input Sequence in FASTA format

>protein (582 residues)
MNYAVLPPELNSLRMFTGAGSAPMLAAAVAWDGLAAELGSAASSFGSVTSDLASQAWQGP
AAAAMAAAAAPYAGWLSAAAARAAGAAAQAKAVASAFEAARAATVHPLLVAANRNAFAQL
VMSNWFGLNAPLIAAVEGAYEQMWAADVAAMVGYHSGASAAAEQLVPFQQALQQLPNLGI
GNIGNANLGGGNTGDLNTGNGNIGNTNLGSGNRGDANLGSGNIGNSNVGGGNVGNGNFGS
GNGRAGLPGSGNVGNGNLGNSNLGSGNTGNSNVGFGNTGNNNVGTGNAGSGNIGAGNTGS
SNWGFGNNGIGNIGFGNTGNGNIGFGLTGNNQVGIGGLNSGSGNIGLFNSGTNNVGFFNS
GNGNLGIGNSSDANVGIGNSGATVGPFVAGHNTGFGNSGSLNTGMGNAGGVNTGFGNGGA
INLGFGNSGQLNAGSFNAGSINTGNFNSGQGNTGDFNAGVRNTGWSNSGLTNTGAFNAGS
LNTGFGAVGTGSGPNSGFGNAGTNNSGFFNTGVGSSGFQNGGSNNSGLQNAVGTVIAAGF
GNTGAQTVGIANSGVLNSGFFNSGVHNSGGFNSENQRSGFGN

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MNYAVLPPELNSLRMFTGAGSAPMLAAAVAWDGLAAELGSAASSFGSVTSDLASQAWQGPAAAAMAAAAAPYAGWLSAAAARAAGAAAQAKAVASAFEAARAATVHPLLVAANRNAFAQLVMSNWFGLNAPLIAAVEGAYEQMWAADVAAMVGYHSGASAAAEQLVPFQQALQQLPNLGIGNIGNANLGGGNTGDLNTGNGNIGNTNLGSGNRGDANLGSGNIGNSNVGGGNVGNGNFGSGNGRAGLPGSGNVGNGNLGNSNLGSGNTGNSNVGFGNTGNNNVGTGNAGSGNIGAGNTGSSNWGFGNNGIGNIGFGNTGNGNIGFGLTGNNQVGIGGLNSGSGNIGLFNSGTNNVGFFNSGNGNLGIGNSSDANVGIGNSGATVGPFVAGHNTGFGNSGSLNTGMGNAGGVNTGFGNGGAINLGFGNSGQLNAGSFNAGSINTGNFNSGQGNTGDFNAGVRNTGWSNSGLTNTGAFNAGSLNTGFGAVGTGSGPNSGFGNAGTNNSGFFNTGVGSSGFQNGGSNNSGLQNAVGTVIAAGFGNTGAQTVGIANSGVLNSGFFNSGVHNSGGFNSENQRSGFGN
Prediction	CCCCCCCCHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHCCCCCCCCHHHHCCCCHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Conf.Score	986558865666544678997789999999999999999999999999987556778886899999999999999999999999999999999999999998678877877778999999987556888654445456655544456666666667766666778888888877778888877777788888887887777777788888888888888888888888888998889998888888888888888888888888888988888888899889888889988899889998899888888888888889888998888988888888888888888888999899988899988888889988888888998888888888888888998888888889888888889988888888898899988999888998889988899989998889988899888998889988898888888888888888899999988888888899888999899988889888888888888888888888888888888888889988889888988889
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MNYAVLPPELNSLRMFTGAGSAPMLAAAVAWDGLAAELGSAASSFGSVTSDLASQAWQGPAAAAMAAAAAPYAGWLSAAAARAAGAAAQAKAVASAFEAARAATVHPLLVAANRNAFAQLVMSNWFGLNAPLIAAVEGAYEQMWAADVAAMVGYHSGASAAAEQLVPFQQALQQLPNLGIGNIGNANLGGGNTGDLNTGNGNIGNTNLGSGNRGDANLGSGNIGNSNVGGGNVGNGNFGSGNGRAGLPGSGNVGNGNLGNSNLGSGNTGNSNVGFGNTGNNNVGTGNAGSGNIGAGNTGSSNWGFGNNGIGNIGFGNTGNGNIGFGLTGNNQVGIGGLNSGSGNIGLFNSGTNNVGFFNSGNGNLGIGNSSDANVGIGNSGATVGPFVAGHNTGFGNSGSLNTGMGNAGGVNTGFGNGGAINLGFGNSGQLNAGSFNAGSINTGNFNSGQGNTGDFNAGVRNTGWSNSGLTNTGAFNAGSLNTGFGAVGTGSGPNSGFGNAGTNNSGFFNTGVGSSGFQNGGSNNSGLQNAVGTVIAAGFGNTGAQTVGIANSGVLNSGFFNSGVHNSGGFNSENQRSGFGN
Prediction	430001000100010100000000100010022003002200300100000010221101000000000000030012002102200310230010020000000000101101210010000011334100002020213312131112322232122222232332332333233322323323211222223333332224421212133122111121213322121110321212213132131331213413244341431413313142340341212213134131431314414143141431314314143231441314442141321314313033131431314213142130321414434143131443444334312132131321214214143131432423302131241331314313133110422313312142131331213324133131321414213132232344433413113144120321314423123131442212213343443312112144131321314412122131342102213344421234
	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

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

Sec.Str
Seq

CCCCCCCCHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHCCCCCCCCHHHHCCCCHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
MNYAVLPPELNSLRMFTGAGSAPMLAAAVAWDGLAAELGSAASSFGSVTSDLASQAWQGPAAAAMAAAAAPYAGWLSAAAARAAGAAAQAKAVASAFEAARAATVHPLLVAANRNAFAQLVMSNWFGLNAPLIAAVEGAYEQMWAADVAAMVGYHSGASAAAEQLVPFQQALQQLPNLGIGNIGNANLGGGNTGDLNTGNGNIGNTNLGSGNRGDANLGSGNIGNSNVGGGNVGNGNFGSGNGRAGLPGSGNVGNGNLGNSNLGSGNTGNSNVGFGNTGNNNVGTGNAGSGNIGAGNTGSSNWGFGNNGIGNIGFGNTGNGNIGFGLTGNNQVGIGGLNSGSGNIGLFNSGTNNVGFFNSGNGNLGIGNSSDANVGIGNSGATVGPFVAGHNTGFGNSGSLNTGMGNAGGVNTGFGNGGAINLGFGNSGQLNAGSFNAGSINTGNFNSGQGNTGDFNAGVRNTGWSNSGLTNTGAFNAGSLNTGFGAVGTGSGPNSGFGNAGTNNSGFFNTGVGSSGFQNGGSNNSGLQNAVGTVIAAGFGNTGAQTVGIANSGVLNSGFFNSGVHNSGGFNSENQRSGFGN

3chnS

0.11

0.96

1.41

MUSTER

I-FG--PEEVNSVSIYPPTSVNRHTR--KYW-------QGARGGCITLISS-VSSKYAGRANLTNFPENGTFVVNIAQLSQD----SGRYKCGLGINSRGLSFDVSLEVSQGPGLLNDTKVYTVDLGRTVTI----NCPFKTENAQKRKSQIGLYPVLVIDSSGYVNPNYTGRIRLDIQGTGQLLFSVVINQLRLSDAGQYLCQAGDDSNSNKKNADLQVLKPEPELVYEDLRGSVTFHCALGPEVANVAKFLCRQSSGENCDVVVNTLGKRAPAFEGRILLNPQDKDGSFSVVITGLRKEDAGRYLCGAHSDGQLQEGSPIQAWQLFVNEESTIPSPTVVKGVAGSSVAVLCPYNRKESKSIKYWCLWEGAQNGRCPLLVDSEGWVKAQYEGRLSLLEEPGNGTFTVILNQLTSRDAGFYWCLTNGDTLWRTTVEIKIIEGEPNLKVPGNVTAVLGETLKVPCHFPCKFSSYEKYWCKWNNTGCQALPSQDEGPSKAFVNCDENSRLVSLTLNLVTRADEGWYWCGVKQGHFYGETAAVYEERKAAGSRDVSLAKADAAPDEKVLDSGFREIENKAIQDPR

3chnS

0.11

0.10

0.88

1.33

wMUSTER

I-FG--PEEVN---SVEG---------------------------NSVS--IYYPPTSVN---------HTRKYWCRQGA----------------------TLISSSSKYAGRANLTNFPENGTFVVNIAQLSQDDSGRYKCGLGINSRGLSFDVSLEVSQGPGLLNDTKVYTVDLGRTVTINCPFKTENAQKRKSLYKQIGLYPVLVIDSSGYVNPNYTGRIRLDIQGTGQLLFSVVINQLRLSDAGQYLCQAGDDSNSNKKNADLQVLKPEPEVYEDLRGSVTFHCALGPEVANVARQSSGENCDVVVNTLGKRAPAFEGRILLNPQDKDGSFSTGLRKEDAGRYLCGAHSDGQLQEGSPIQAWQLFVNEESTIPRSPTVVKGVAGSS-PYNRKESKSIKYWCLWEGAQNGRCPLLVDSEGWVKAQYEGLEEPGNGTFTVILNQLTSRDAGFNGDTLWRTTVEIKIIEGEPNLKVPGNVTAVLGETLKVPPCKFSSYENTGCQALPSQDEGPSKAFVNCDENSRLVSNLVTRADEGWKQGHFYGETAAEERKAAGSRDVSLAKADAAPDEKVLDSGFRN

2g38B

0.28

0.08

0.30

1.83

dPPAS

-AFEAYPPEVNSANIYAGPGPDSMLAAARAWRSLDVEMTAVQRSFNRTLLSLM-DAWAGPVVMQLMEAAKPFVRWLTDLCVQLSEVERQIHEIVRAYEWAHHDMVPLAQIYNNRAERQILIDNNALGQFTAQIADLDQEYDDFWDEDGEVMRDYRLRVSDALSKLTPWKAPPPIA-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

5gaoE

0.11

0.07

0.58

1.70

PPAS

-------------------------------------------------------------------------------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAARAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAATTKEAYKKLSQKFHGTKSNKK---------------------------------------------------------------------------------------------------------------------------------------------------------------

2g38B

0.28

0.08

0.30

3.01

wdPPAS

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

4b2nA

0.09

0.96

1.30

wMUSTER

PDSTPLPVD-PRSLVKQGVNSNP---AALQFNAYFVDLHNPPPPF------VNRLPPRPTCGQFRASATRGRVNLEERQFFQP---MALATSYHFIFLQWGYLIRPPDFEEQVSKRYG------LYPAPFRNPYPLPGEDPNQTNGGSGQLLGLIQGKDDNGRWTGRLGTASEASFKWGLPNSANDAGLLASDMFRTTPITALGNLLPLPWSTGRGSSDAIGLISLLPALFDMETLTLAPSLLEYVADAPHAGMTKAPAWWARAFKTRQFWD---GSLSSDNVHSEAFGVANIFRDANARR-SPATYPKTINTALAEQGAVIYHERDLWASGANGAIPKPAGNGSGVYSPRHAADPNYLPDPRLKGVAAVRTDPRRMRLMADERQRRAWNSGWWAYNNLSPSWTGYPSDNIVASELRRVPRAIYNNGGPIYSPLGPNIWEEPTGYIAPPLYGAWATAPYFHNGSVPNLWGVLKPSDRPKLWKRPYTAAGIGGKNAGYD--YSFASYDWQKLGYTAVACNNSIFTSPFLPCTHNMATIDILYSMWDNVAAQYLNLAYQSPPPITDQQIKSRMVYNSYLYGNDN

2g38B

0.28

0.08

0.30

1.88

wMUSTER

--FEAYPPEVNSANIYAGPGPDSMLAAARAWRSLDVEMTAVQRSFNRTLLSLM-DAWAGPVVMQLMEAAKPFVRWLTDLCVQLSEVERQIHEIVRAYEWAHHDMVPLAQIYNNRAERQILIDNNALGQFTAQIADLDQEYDDFWDEDGEVMRDYRLRVSDALSKLTPWKAPPPIA-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

5fmwA

0.07

0.05

0.75

1.68

dPPAS2

------------------------------------------------------------------------------------------------------------------------------------------------SSQCDPCLRQMFRSRSIEVFGQFNGKRCTDAVGDRRQCVPTEPCECGNDFQCSTGRCIKMRLRCNGDNDCGDFSDEDDCESEPRPPCRDRVVEESELARTAGYGINILGMDPLSTPFDNEFYNGLCNRDRDGNTLTYYRRPWNVASLIYETKGEKNFRTEHYEEQIEAFKSIIQEKTSNFNAAISLKFTPGKGSFRFSYSKNETYQLFLSYSSKKEKMFLHVKGEIHLGRFVMRNRDVVTTYEKGEYFAFLETYGTHYSSSGSLGGLYELIYVLDKASMKRKGVELKDIKRCLGYHLDVSLAFSEISVGAEFNKDDCVKRGEGRAVNITSENLIDDVVSLIRGGTRKYAFELKEKLLRGTVIDVTDFVNWASSINDAPVLISQKLSPIYNLVPVKMKNAHLKKQNLERAIEDY--INEFSVRKCHTCQNGGTVILMDG

2g38B

0.28

0.08

0.30

4.05

wPPAS

-AFEAYPPEVNSANIYAGPGPDSMLAAARAWRSLDVEMTAVQRSFNRTLLSLM-DAWAGPVVMQLMEAAKPFVRWLTDLCVQLSEVERQIHEIVRAYEWAHHDMVPLAQIYNNRAERQILIDNNALGQFTAQIADLDQEYDDFWDEDGEVMRDYRLRVSDALSKLTPWKAPPPIA-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

2ocwA

0.10

0.09

0.91

1.66

PPAS

YPPTSVNRHTRKYWCRQGARGGCITLISS--------------------EGYVSSKYAG-------------------------------RANLTNFPENGTFVVNIAQLSQDDSGRYKCGLGINSRGLSFDVSL-EVSQGPGLLNDTKVYTVDLGRTVTINCPFKTENAQKRKSQIGLYPVLVIDSSGYVNPNYTGRIRLDIQGTGQLLFSVVINQLRLSDAGQYLCQAGDDSNSNKKNADLQVLKPEPELVYEDLRGSLGPEVANVAKQSSGENCDVVVNTLGKRAPAFEGRILLNPQDKDGSFSVVITGLRKEDAGHSDGQLQEGSPIQAWQLFVNEESTIPRSPTVVKGVAGSKESKSIKYWCLWEGAQNGRCPLLVDSEGWVKAQYEGRLSLLEEPGNGTFTVILNQLTSRDAGFYWCLTNGDTLWRTTVEIKIIEGEPNLKVPGNVTAVLGETLKVPCHFPCKFSSYEKYWCKWNNTGCQALPSQDEGPSKAFVNCDENSRLVSLTLNLVTRADEGWYWCGVKQGHFYGETAAVYEERKAAGSRDVSLAKADAAPDEKVLDSGF--REIENKAIQD

(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 4 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=-0.04

Estimated TM-score = 0.71±0.12

Estimated RMSD = 7.7±4.3Å

Download Model 2

C-score=-1.40

Download Model 3

C-score=-0.68

Download Model 4

C-score=-3.14

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	3chnS	0.852	3.72	0.100	0.964
2	3poyA	0.375	7.74	0.031	0.612
3	4bedB	0.354	7.77	0.032	0.581
4	1hn0A	0.354	7.81	0.057	0.572
5	2pn5A	0.354	7.41	0.041	0.543
6	3cu7A	0.352	8.02	0.032	0.589
7	3btaA	0.347	8.41	0.045	0.607
8	3cmuA	0.347	8.16	0.044	0.588
9	4acqA	0.344	6.90	0.041	0.509
10	2b39A	0.342	7.26	0.041	0.526

(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	0.06	3	4hxbL	CA	Rep, Mult	344,345,441,442
2	0.06	3	3cmvG	ANP	Rep, Mult	232,234,235,236,237,280
3	0.04	2	2qubE	CA	Rep, Mult	457,459,461,474,477,478,482
4	0.04	2	1jwlA	NUC	Rep, Mult	26,30
5	0.04	2	2quaA	CA	Rep, Mult	474,477,478,479,482,497,502,503,506
6	0.02	1	3cmvE	ANP	Rep, Mult	194,195,221,222,247,250
7	0.02	1	2nzmA	CA	Rep, Mult	372,379
8	0.02	1	3i9gL	MG	Rep, Mult	342,442
9	0.02	1	5hpmC	CY3	Rep, Mult	227,322
10	0.02	1	4xcnF	UNL	Rep, Mult	339,435,437
11	0.02	1	3hdbA	CA	Rep, Mult	34,35
12	0.02	1	2z8xA	CA	Rep, Mult	474,477,478,479,482,498
13	0.02	1	2z8xA	CA	Rep, Mult	491,503,505,506
14	0.02	1	2qkiD	III	Rep, Mult	239,240,241,242,247,268,292
15	0.02	1	1af0A	CA	Rep, Mult	407,408,409,412,418,419,420
16	0.02	1	1jz6A	MG	Rep, Mult	370,373,375
17	0.02	1	2g38B	MN	Rep, Mult	149,152,153
18	0.02	1	1srpA	CA	Rep, Mult	397,399,402,414,419,420
19	0.02	1	5k6wB	FUC	Rep, Mult	342,437,438,439
20	0.02	1	1hn1C	NA	Rep, Mult	425,428,429,431

	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	2e9bA	0.308	7.88	0.053	0.507	3.2.1.41	NA
2	0.060	3ffzA	0.333	7.29	0.038	0.517	3.4.24.69	NA
3	0.060	2vz8A	0.318	8.50	0.049	0.560	2.3.1.85	540
4	0.060	2je8B	0.287	6.72	0.048	0.414	3.2.1.25	141
5	0.060	2vkzG	0.323	8.19	0.033	0.543	2.3.1.38,3.1.2.14	449,466
6	0.060	1mc0A	0.216	7.03	0.033	0.330	3.1.4.17	222
7	0.060	2z8yP	0.242	8.26	0.048	0.411	2.3.1.169	NA
8	0.060	2uv8G	0.326	8.31	0.031	0.555	2.3.1.86	NA
9	0.060	2fhbA	0.298	8.08	0.034	0.498	3.2.1.41	NA
10	0.060	3lxuX	0.319	7.01	0.037	0.479	3.4.14.10	254,256,258,261
11	0.060	1z0hB	0.208	7.03	0.027	0.311	3.4.24.69	302
12	0.060	2vz8B	0.287	8.18	0.062	0.486	2.3.1.85	540
13	0.060	3fn9C	0.288	6.85	0.035	0.421	3.2.1.23	NA
14	0.060	2pffB	0.302	7.62	0.150	0.491	2.3.1.86	449,454,464,502
15	0.060	3ecqB	0.320	8.08	0.053	0.539	3.2.1.97	NA
16	0.060	1kv3A	0.281	7.98	0.037	0.462	2.3.2.13	NA
17	0.060	2q3zA	0.290	7.68	0.043	0.467	2.3.2.13	NA
18	0.060	2vuaA	0.212	6.69	0.029	0.308	3.4.24.69	465
19	0.060	1ojnA	0.246	8.56	0.059	0.442	4.2.2.1	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	0.20	0.852	3.72	0.10	0.96	3chnS	GO:0001580 GO:0001792 GO:0001895 GO:0002415 GO:0005576 GO:0005615 GO:0005886 GO:0005887 GO:0007173 GO:0016020 GO:0016021 GO:0038093 GO:0043113 GO:0043235 GO:0070062
1	0.06	0.264	7.87	0.04	0.43	3dmkA	GO:0003823 GO:0005887 GO:0006909 GO:0007411 GO:0007413 GO:0007419 GO:0007422 GO:0008046 GO:0016020 GO:0016021 GO:0016319 GO:0021551 GO:0030424 GO:0030425 GO:0032490 GO:0042802 GO:0042803 GO:0043005 GO:0043025 GO:0048666 GO:0048814 GO:0048846 GO:0050770 GO:0050976 GO:0070593
2	0.06	0.277	6.63	0.04	0.40	3b43A
3	0.06	0.258	6.17	0.04	0.35	2jllA	GO:0005886 GO:0007155 GO:0007158 GO:0016020 GO:0016021 GO:0030424
4	0.06	0.249	6.73	0.05	0.37	2v5yA	GO:0001937 GO:0004721 GO:0004725 GO:0005001 GO:0005737 GO:0005887 GO:0005911 GO:0005913 GO:0006470 GO:0007155 GO:0007156 GO:0007165 GO:0010596 GO:0010842 GO:0016020 GO:0016021 GO:0016311 GO:0016525 GO:0016787 GO:0016791 GO:0030027 GO:0031175 GO:0031290 GO:0035335 GO:0042493 GO:0042802 GO:0045296 GO:0045909 GO:0048471
5	0.06	0.232	4.88	0.05	0.29	1nqbA	GO:0003823 GO:0006910 GO:0006911 GO:0006958 GO:0009897 GO:0034987 GO:0042571 GO:0042742 GO:0045087 GO:0050853 GO:0050871 GO:0072562
6	0.06	0.230	5.87	0.03	0.32	4w4oC	GO:0002376 GO:0002479 GO:0005057 GO:0005886 GO:0006898 GO:0006911 GO:0006955 GO:0007165 GO:0016020 GO:0016021 GO:0019864 GO:0030669 GO:0031901 GO:0038096 GO:0045087 GO:0050776 GO:0060333
7	0.06	0.213	5.96	0.05	0.29	4xb7A	GO:0003823 GO:0005887 GO:0006909 GO:0007411 GO:0007413 GO:0007419 GO:0007422 GO:0008046 GO:0016020 GO:0016021 GO:0016319 GO:0021551 GO:0030424 GO:0030425 GO:0032490 GO:0042802 GO:0042803 GO:0043005 GO:0043025 GO:0048666 GO:0048814 GO:0048846 GO:0050770 GO:0050976 GO:0070593
8	0.06	0.219	6.29	0.02	0.31	4x9iB	GO:0003823 GO:0005887 GO:0006909 GO:0007411 GO:0007413 GO:0007419 GO:0007422 GO:0008046 GO:0016020 GO:0016021 GO:0016319 GO:0021551 GO:0030424 GO:0030425 GO:0032490 GO:0042802 GO:0042803 GO:0043005 GO:0043025 GO:0048666 GO:0048814 GO:0048846 GO:0050770 GO:0050976 GO:0070593
9	0.06	0.220	5.90	0.08	0.29	3lafA	GO:0001975 GO:0003713 GO:0005042 GO:0005886 GO:0006915 GO:0007275 GO:0007399 GO:0007411 GO:0010976 GO:0016020 GO:0016021 GO:0030424 GO:0032584 GO:0038007 GO:0042802 GO:0045121 GO:0070374 GO:1903506
10	0.06	0.223	4.27	0.05	0.26	4f9lA	GO:0002250 GO:0002376 GO:0005886 GO:0016020 GO:0016021 GO:0050663 GO:0050798 GO:0050852 GO:0072643
11	0.06	0.225	6.33	0.05	0.31	4x9fA	GO:0003823 GO:0005887 GO:0006909 GO:0007411 GO:0007413 GO:0007419 GO:0007422 GO:0008046 GO:0016020 GO:0016021 GO:0016319 GO:0021551 GO:0030424 GO:0030425 GO:0032490 GO:0042802 GO:0042803 GO:0043005 GO:0043025 GO:0048666 GO:0048814 GO:0048846 GO:0050770 GO:0050976 GO:0070593
12	0.06	0.220	4.64	0.05	0.26	2p1yA
13	0.06	0.213	5.29	0.08	0.28	3m8oL
14	0.06	0.211	5.06	0.04	0.27	2arjA
15	0.06	0.209	4.88	0.05	0.26	1ry7B	GO:0000165 GO:0000166 GO:0001501 GO:0001958 GO:0002062 GO:0003416 GO:0004672 GO:0004713 GO:0004714 GO:0005007 GO:0005088 GO:0005524 GO:0005576 GO:0005634 GO:0005737 GO:0005783 GO:0005794 GO:0005886 GO:0005887 GO:0005925 GO:0006468 GO:0006915 GO:0007259 GO:0007267 GO:0008284 GO:0008543 GO:0009986 GO:0010518 GO:0014066 GO:0016020 GO:0016021 GO:0016023 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0017134 GO:0018108 GO:0030133 GO:0030282 GO:0031410 GO:0035988 GO:0036092 GO:0042511 GO:0042517 GO:0043410 GO:0043547 GO:0043552 GO:0046777 GO:0046854 GO:0046934 GO:0048015 GO:0048640 GO:0060349 GO:0070374 GO:0070977 GO:1902178
16	0.06	0.185	3.34	0.06	0.20	1indH
17	0.06	0.223	4.31	0.06	0.26	4hh8A	GO:0016020 GO:0016021
18	0.06	0.204	4.84	0.03	0.26	4bfiA	GO:0004872 GO:0005886 GO:0009897 GO:0016020 GO:0016021 GO:0043235

Consensus prediction of GO terms

Molecular Function	GO:0019763
GO-Score	0.40
Biological Processes	GO:0050912	GO:0050913	GO:0002414	GO:0002386	GO:0072657	GO:0038127	GO:0051668	GO:0002768	GO:0001894
GO-Score	0.40	0.40	0.40	0.40	0.40	0.40	0.40	0.40	0.40
Cellular Component	GO:0031226	GO:0031988	GO:1903561	GO:0043234	GO:0016021
GO-Score	0.60	0.40	0.40	0.40	0.34

(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.