I-TASSER results

I-TASSER results for job id Rv0341

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

Input Sequence in FASTA format

>protein (479 residues)
MTSLIDYILSLFRSEDAARSFVAAPGRAMTSAGLIDIAPHQISSVAANVVPGLNLGAGDP
MSGLRQAVAARHGFAQDVANVGFAGDAGAGVASVITTDVGAGLASGLGAGFLGQGGLALA
ASSGGFGGQVGLAAQVGLGFTAVIEAEVGAQVGAGLGIGTGLGAQAGMGFGGGVGLGLGG
QAGGVIGGSAAGAIGAGVGGRLGGNGQIGVAGQGAVGAGVGAGVGGQAGIASQIGVSAGG
GLGGVGNVSGLTGVSSNAVLASNASGQAGLIASEGAALNGAAMPHLSGPLAGVGVGGQAG
AAGGAGLGFGAVGHPTPQPAALGAAGVVAKTEAAAGVVGGVGGATAAGVGGAHGDILGHE
GAALGSVDTVNAGVTPVEHGLVLPSGPLIHGGTGGYGGMNPPVTDAPAPQVPARAQPMTT
AAEHTPAVTQPQHTPVEPPVHDKPPSHSVFDVGHEPPVTHTPPAPIELPSYGLFGLPGF

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MTSLIDYILSLFRSEDAARSFVAAPGRAMTSAGLIDIAPHQISSVAANVVPGLNLGAGDPMSGLRQAVAARHGFAQDVANVGFAGDAGAGVASVITTDVGAGLASGLGAGFLGQGGLALAASSGGFGGQVGLAAQVGLGFTAVIEAEVGAQVGAGLGIGTGLGAQAGMGFGGGVGLGLGGQAGGVIGGSAAGAIGAGVGGRLGGNGQIGVAGQGAVGAGVGAGVGGQAGIASQIGVSAGGGLGGVGNVSGLTGVSSNAVLASNASGQAGLIASEGAALNGAAMPHLSGPLAGVGVGGQAGAAGGAGLGFGAVGHPTPQPAALGAAGVVAKTEAAAGVVGGVGGATAAGVGGAHGDILGHEGAALGSVDTVNAGVTPVEHGLVLPSGPLIHGGTGGYGGMNPPVTDAPAPQVPARAQPMTTAAEHTPAVTQPQHTPVEPPVHDKPPSHSVFDVGHEPPVTHTPPAPIELPSYGLFGLPGF
Prediction	CCHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Conf.Score	86799999998768755555678988766667888888766777788888877889998888877888888888888888888888888888888878888888888888899888888888888888889888888888888888888888888888888888888888888888888888888898888888888888888888888888888899888888888899999998888888888888888888888888999888888888999888988899989888888888888888999888888899999998888888889998888888889889999889999998888888888999888889988889999999877899888899999888888888899999999999999988899998888888899999877788889988889988888888888898999
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MTSLIDYILSLFRSEDAARSFVAAPGRAMTSAGLIDIAPHQISSVAANVVPGLNLGAGDPMSGLRQAVAARHGFAQDVANVGFAGDAGAGVASVITTDVGAGLASGLGAGFLGQGGLALAASSGGFGGQVGLAAQVGLGFTAVIEAEVGAQVGAGLGIGTGLGAQAGMGFGGGVGLGLGGQAGGVIGGSAAGAIGAGVGGRLGGNGQIGVAGQGAVGAGVGAGVGGQAGIASQIGVSAGGGLGGVGNVSGLTGVSSNAVLASNASGQAGLIASEGAALNGAAMPHLSGPLAGVGVGGQAGAAGGAGLGFGAVGHPTPQPAALGAAGVVAKTEAAAGVVGGVGGATAAGVGGAHGDILGHEGAALGSVDTVNAGVTPVEHGLVLPSGPLIHGGTGGYGGMNPPVTDAPAPQVPARAQPMTTAAEHTPAVTQPQHTPVEPPVHDKPPSHSVFDVGHEPPVTHTPPAPIELPSYGLFGLPGF
Prediction	63200300020032462035213335321332303403243133102201311211323212223322343342243324241323222312311002212333331213133421132233412112322332423222223032424242322131122222423312212222123342123223313233233132432342411122333323313342424341424233423233422443322322324333244243424232433232322232434334333334342424333422211223343444332332233445244334343324334444433343343422333344433242223444343341332423232224242432423143342534343543533544444442435443545222221143435232433342314235332244645
	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

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Sec.Str
Seq

CCHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
MTSLIDYILSLFRSEDAARSFVAAPGRAMTSAGLIDIAPHQISSVAANVVPGLNLGAGDPMSGLRQAVAARHGFAQDVANVGFAGDAGAGVASVITTDVGAGLASGLGAGFLGQGGLALAASSGGFGGQVGLAAQVGLGFTAVIEAEVGAQVGAGLGIGTGLGAQAGMGFGGGVGLGLGGQAGGVIGGSAAGAIGAGVGGRLGGNGQIGVAGQGAVGAGVGAGVGGQAGIASQIGVSAGGGLGGVGNVSGLTGVSSNAVLASNASGQAGLIASEGAALNGAAMPHLSGPLAGVGVGGQAGAAGGAGLGFGAVGHPTPQPAALGAAGVVAKTEAAAGVVGGVGGATAAGVGGAHGDILGHEGAALGSVDTVNAGVTPVEHGLVLPSGPLIHGGTGGYGGMNPPVTDAPAPQVPARAQPMTTAAEHTPAVTQPQHTPVEPPVHDKPPSHSVFDVGHEPPVTHTPPAPIELPSYGLFGLPGF

2pffB

0.25

1.00

2.41

MUSTER

SERIVDCIIRLPVKWETTTQFKATHILDFGPGGASGLGVNKDGTGVRVIVAGTLDINPDDDYGFKQGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

1vt4I3

0.24

1.00

2.52

dPPAS

DEAIFEEAHKQVQRGGGGGGGGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

3hr2A

0.17

0.16

0.97

3.93

wdPPAS

-------------QMSYGYDEKSAGVSVPGPMGPSGPRG-LGPGAGPQGFQGPGEGEGGSGPMGPPGPGGKNGDDGEAGKPGGPGPQGARGLGTAGLGMGHRGFSGLD-GAKGDTGPAGPKGEGSGENGTGQMGPRGLGERGRGPGTAGARGNDGAVGAAGPGPTGPTGPGFGAAGAKGEAGPQGARGSEGPQGVRGEGPGPAGAAGPAGNGADGQGAKGANGAGIAGAGFGARGPSGPQGPSGAGPKGTSGEGAGNKGDTGAKGARGEGPSGLGPGERGGGSADGVAGPKGPSGERGSGPAGPKGSGEAGRGEAGLGAKGLTGSGSGPDGKTGPGPAGQDGRGPAGPGARGQAGMGFGPKGTAGEGKAGERGVGPGAVGPAGKDGEAGAQGAGPAGPAGERGEQGPAGSGFQGLGPAGPGEAGKGEQGVGDLGAGPSGARGERGFGERGVQGPGPAGPRGNNGAGNDGAKGDTGAGAG

1vt4I3

0.25

0.99

4.15

wMUSTER

YERLVNAILDFL-ENLICSKYTD--ALMAEDEAIFEEAHKQVGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

1vt4I3

0.25

0.99

6.31

wPPAS

YERLVNAILDFLPKIEGGGGGGGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG--GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

1vt4I3

0.25

0.24

1.00

5.43

dPPAS2

VNAILDFLPKIEENGGGGGGGGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

1vt4I3

0.25

0.24

1.00

6.11

PPAS

VNAILDFLPKIEENGGGGGGGGGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

1vt4I3

0.25

1.00

0.91

Env-PPAS

VNAILDFLPKLICSGGGGGGGGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

1vt4I3

0.25

1.00

2.21

MUSTER

VNAILDFLPKLICSKMAEDEAIFEEAHKQGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

3hr2A

0.18

1.00

2.17

dPPAS

RGFGADGVAGPKGPSGERGSGPAGPKGSGEAGRGEAGLGAKGGSGSGPDGKTGPGPAGQDGRGPAGPGARGQAGVMGFGPKGTAGEGKAGERGVGPGAVGPAGKDGEAGQGAGPAGPAGERGEQGPAGSGFQGLGPAGPGEAGKGEQGVGDLGAGPSGARGERGFGERGVQGPGPAGPRGNNGAGNDGAKGDTGAGAGSQGAGLQGERGAAGLGPKGDRGDAGPKGADGSPGKDGVRGLTGPIGGPAGAGDKGEAGPSGPAGPTGARGAGDRGEAGPPAGFAGPGADGQGAKGEGDTGVKGDAGPGPAGPAGPGPIGNVGAGPGSRGAAGPGATGFGAAGRVGPGPSGNAGPGPEGGKGPRGETGPAGRGEVGPGPGPAGEKGSGADGPGSGTPGPQGIAGQRGVVGLGQRGKRGFGLGPSGEGKQGPSGASGERGPGPMGPGLAGPGESGREGSGAEGSGRDGAGAKGDRGETGPAGP

(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 1 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=1.62

Estimated TM-score = 0.94±0.05

Estimated RMSD = 3.8±2.6Å

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	2pffB	0.918	2.82	0.248	0.992
2	3hmjG	0.907	2.96	0.067	0.994
3	2uvcG	0.900	2.99	0.073	0.992
4	4z9rA	0.513	3.86	0.072	0.597
5	4z38A	0.503	3.73	0.051	0.591
6	4cw5A	0.484	3.91	0.067	0.572
7	3hazA	0.471	5.85	0.075	0.651
8	3ecqB	0.459	6.74	0.062	0.691
9	2gjlA	0.454	3.44	0.102	0.516
10	4q4kA	0.451	3.59	0.102	0.522

(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	0.15	5	2uvcG	FMN	Rep, Mult	108,109,110,111,160,191,215,241,246,275,276,305,306,309
2	0.03	1	1af0A	CA	Rep, Mult	306,308,345,347
3	0.03	1	1o0tA	CA	Rep, Mult	239,240,241,243,253,255,258
4	0.03	1	1aklA	CA	Rep, Mult	221,222,223,225,238,239,240,243
5	0.03	1	1yklG	DHB	Rep, Mult	386,387
6	0.03	1	2civA	MAN	Rep, Mult	44,46
7	0.03	1	1af0A	CA	Rep, Mult	339,340,341,342,367
8	0.03	1	3ucpA	CA	Rep, Mult	59,60,61,78
9	0.03	1	1satA	CA	Rep, Mult	346,347,348,350,373
10	0.03	1	2z6jB	TUI	Rep, Mult	111,162,165,191,192,215,217,224,240,246,247
11	0.03	1	1af0A	CA	Rep, Mult	328,329,330,332,342,343,344
12	0.03	1	1om6A	CA	Rep, Mult	203,204,205,206,235,237

	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	2vkzG	0.907	2.96	0.067	0.994	2.3.1.38,3.1.2.14	108,244,246
2	0.060	2d0gA	0.410	5.55	0.051	0.553	3.2.1.135	NA
3	0.060	7reqB	0.407	5.62	0.039	0.557	5.4.99.2	NA
4	0.060	3ecqB	0.459	6.74	0.062	0.691	3.2.1.97	107,110
5	0.060	2x42A	0.404	6.50	0.069	0.603	3.2.1.21	239,301
6	0.060	3bw4A	0.445	3.52	0.098	0.507	1.7.3.1	246,299
7	0.060	2z6iB	0.448	3.43	0.091	0.507	1.3.1.9	108,131,246,275
8	0.060	1zfjA	0.402	4.28	0.074	0.486	1.1.1.205	NA
9	0.060	3khjH	0.407	3.92	0.072	0.480	1.1.1.205	109,191,243
10	0.060	1e1cA	0.449	5.91	0.047	0.630	5.4.99.2	NA
11	0.060	1izjA	0.410	5.55	0.051	0.553	3.2.1.135,3.2.1.1	NA
12	0.060	1ea9C	0.402	5.18	0.055	0.530	3.2.1.54	NA
13	0.060	2zxqA	0.430	6.98	0.049	0.683	3.2.1.97	166,197,222
14	0.060	1u22A	0.429	5.79	0.062	0.595	2.1.1.14	NA
15	0.060	2bleA	0.407	3.87	0.073	0.478	1.7.1.7	244,275,306
16	0.060	1me7A	0.409	3.92	0.071	0.484	1.1.1.205	253,275,340
17	0.060	1jcnB	0.384	3.89	0.068	0.455	1.1.1.205	243,275
18	0.060	2vvnA	0.421	5.75	0.054	0.583	3.2.1.52	98
19	0.060	2gq3A	0.438	5.89	0.059	0.605	2.3.3.9	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	0.07	0.462	3.34	0.12	0.52	3bo9A	GO:0003824 GO:0004318 GO:0016491 GO:0018580 GO:0055114
1	0.07	0.454	3.44	0.10	0.52	2gjlA	GO:0003824 GO:0004497 GO:0016491 GO:0018580 GO:0055114
2	0.07	0.460	3.41	0.10	0.52	2z6iB	GO:0000166 GO:0003824 GO:0004318 GO:0016491 GO:0018580 GO:0051213 GO:0055114
3	0.06	0.308	6.59	0.04	0.46	3etcB	GO:0003824 GO:0008152
4	0.06	0.301	6.94	0.04	0.47	3ihjA	GO:0003824 GO:0004021 GO:0005739 GO:0005759 GO:0006103 GO:0008483 GO:0008652 GO:0009058 GO:0016740 GO:0030170 GO:0042851 GO:0042853
5	0.06	0.246	7.42	0.03	0.41	1ng9A	GO:0000018 GO:0000166 GO:0003677 GO:0003684 GO:0005524 GO:0005829 GO:0006281 GO:0006298 GO:0006974 GO:0008301 GO:0016887 GO:0030983 GO:0032136 GO:0032300 GO:0042802 GO:0043531
6	0.06	0.304	7.55	0.03	0.52	4mz0B	GO:0003824 GO:0008152 GO:0016740 GO:0031177 GO:0046872
7	0.06	0.306	7.52	0.04	0.52	4mz0A	GO:0003824 GO:0008152 GO:0016740 GO:0031177 GO:0046872
8	0.06	0.221	7.33	0.04	0.36	3tzwA	GO:0003824 GO:0005618 GO:0005829 GO:0005886 GO:0008152 GO:0009058 GO:0016740 GO:0016747 GO:0016788 GO:0019367 GO:0031177 GO:0034081 GO:0040007 GO:0051260 GO:0071768 GO:0071769
9	0.06	0.280	6.93	0.03	0.43	4hnxA	GO:0004596 GO:0005737 GO:0006474 GO:0017196 GO:0022626 GO:0031415 GO:0031416
10	0.06	0.237	6.76	0.06	0.36	3b4xA	GO:0004497 GO:0005506 GO:0005737 GO:0016491 GO:0016705 GO:0020037 GO:0046872 GO:0055114
11	0.06	0.260	7.64	0.04	0.45	5iy6A	GO:0000398 GO:0000974 GO:0001055 GO:0001172 GO:0003677 GO:0003899 GO:0003968 GO:0005634 GO:0005654 GO:0005665 GO:0005730 GO:0006283 GO:0006351 GO:0006353 GO:0006355 GO:0006366 GO:0006367 GO:0006368 GO:0006370 GO:0008543 GO:0010467 GO:0016740 GO:0016779 GO:0031047 GO:0031625 GO:0033120 GO:0035019 GO:0042795 GO:0044822 GO:0046872 GO:0050434
12	0.06	0.230	7.12	0.06	0.37	4ryaA	GO:0005215 GO:0006810
13	0.06	0.247	8.06	0.06	0.44	3omlA	GO:0003824 GO:0004300 GO:0005777 GO:0006629 GO:0006631 GO:0006635 GO:0008152 GO:0016491 GO:0016616 GO:0016829 GO:0033540 GO:0042803 GO:0055114 GO:0080023
14	0.06	0.249	7.28	0.02	0.40	2pffB	GO:0003824 GO:0004312 GO:0004313 GO:0004314 GO:0004318 GO:0004319 GO:0004320 GO:0004321 GO:0005811 GO:0005829 GO:0005835 GO:0006629 GO:0006631 GO:0006633 GO:0008152 GO:0016295 GO:0016296 GO:0016297 GO:0016409 GO:0016491 GO:0016740 GO:0016787 GO:0016829 GO:0019171 GO:0042759 GO:0047451 GO:0055114
15	0.06	0.232	7.84	0.04	0.41	1pxyB	GO:0003779 GO:0005737 GO:0005856 GO:0007623 GO:0046872
16	0.06	0.247	7.22	0.04	0.41	5flmA	GO:0001047 GO:0001055 GO:0003677 GO:0003899 GO:0005665 GO:0005719 GO:0006351 GO:0006366 GO:0016740 GO:0016779
17	0.06	0.223	5.69	0.08	0.31	2ghiA	GO:0000166 GO:0005524 GO:0006810 GO:0016020 GO:0016021 GO:0016887 GO:0042626 GO:0055085
18	0.06	0.224	6.52	0.07	0.34	4omuB	GO:0004764 GO:0008652 GO:0009073 GO:0009423 GO:0016491 GO:0019632 GO:0050661 GO:0055114
19	0.06	0.219	6.88	0.05	0.35	4u0tB	GO:0008800 GO:0016787 GO:0017001 GO:0030288 GO:0046677
20	0.06	0.204	7.45	0.05	0.34	4trtA	GO:0003677 GO:0003887 GO:0005737 GO:0006260 GO:0008408 GO:0009360 GO:0016740 GO:0016779 GO:0071897 GO:0090305

Consensus prediction of GO terms

Molecular Function	GO:0016703
GO-Score	0.37
Biological Processes	GO:0044710
GO-Score	0.37
Cellular Component	GO:0005759
GO-Score	0.06

(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.