I-TASSER results

I-TASSER results for job id Rv2591

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

Input Sequence in FASTA format

>protein (543 residues)
MSFVTAAPEMLATAAQNVANIGTSLSAANATAAASTTSVLAAGADEVSQAIARLFSDYAT
HYQSLNAQAAAFHHSFVQTLNAAGGAYSSAEAANASAQALEQNLLAVINAPAQALFGRPL
IGNGANGTAASPNGGDGGILYGNGGNGFSQTTAGVAGGAGGSAGLIGNGGNGGAGGAGAA
GGAGGAGGWLLGNGGAGGPGGPTDVPAGTGGAGGAGGDAPLIGWGGNGGPGGFAAFGNGG
AGGNGGASGSLFGVGGAGGVGGSSEDVGGTGGAGGAGRGLFLGLGGDGGAGGTSNNNGGD
GGAGGTAGGRLFSLGGDGGNGGAGTAIGSNAGDGGAGGDSSALIGYAQGGSGGLGGFGES
TGGDGGLGGAGAVLIGTGVGGFGGLGGGSNGTGGAGGAGGTGATLIGLGAGGGGGIGGFA
VNVGNGVGGLGGQGGQGAALIGLGAGGAGGAGGATVVGLGGNGGDGGDGGGLFSIGVGGD
GGNAGNGAMPANGGNGGNAGVIANGSFAPSFVGFGGNGGNGVNGGTGGSGGILFGANGAN
GPS

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MSFVTAAPEMLATAAQNVANIGTSLSAANATAAASTTSVLAAGADEVSQAIARLFSDYATHYQSLNAQAAAFHHSFVQTLNAAGGAYSSAEAANASAQALEQNLLAVINAPAQALFGRPLIGNGANGTAASPNGGDGGILYGNGGNGFSQTTAGVAGGAGGSAGLIGNGGNGGAGGAGAAGGAGGAGGWLLGNGGAGGPGGPTDVPAGTGGAGGAGGDAPLIGWGGNGGPGGFAAFGNGGAGGNGGASGSLFGVGGAGGVGGSSEDVGGTGGAGGAGRGLFLGLGGDGGAGGTSNNNGGDGGAGGTAGGRLFSLGGDGGNGGAGTAIGSNAGDGGAGGDSSALIGYAQGGSGGLGGFGESTGGDGGLGGAGAVLIGTGVGGFGGLGGGSNGTGGAGGAGGTGATLIGLGAGGGGGIGGFAVNVGNGVGGLGGQGGQGAALIGLGAGGAGGAGGATVVGLGGNGGDGGDGGGLFSIGVGGDGGNAGNGAMPANGGNGGNAGVIANGSFAPSFVGFGGNGGNGVNGGTGGSGGILFGANGANGPS
Prediction	CCEEHCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Conf.Score	976764579999999999888889999988766665544567776557889998888767777887788899999999997565545788877777656666656777764454578998888888999999999998887888888888989889999988888999999999999999999999999899999999999999999999999999999899999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999998889999999999999999999999999999999999999999999999999999999999999999999999999999998999999999998999999999999999999999999999888999889989999999
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MSFVTAAPEMLATAAQNVANIGTSLSAANATAAASTTSVLAAGADEVSQAIARLFSDYATHYQSLNAQAAAFHHSFVQTLNAAGGAYSSAEAANASAQALEQNLLAVINAPAQALFGRPLIGNGANGTAASPNGGDGGILYGNGGNGFSQTTAGVAGGAGGSAGLIGNGGNGGAGGAGAAGGAGGAGGWLLGNGGAGGPGGPTDVPAGTGGAGGAGGDAPLIGWGGNGGPGGFAAFGNGGAGGNGGASGSLFGVGGAGGVGGSSEDVGGTGGAGGAGRGLFLGLGGDGGAGGTSNNNGGDGGAGGTAGGRLFSLGGDGGNGGAGTAIGSNAGDGGAGGDSSALIGYAQGGSGGLGGFGESTGGDGGLGGAGAVLIGTGVGGFGGLGGGSNGTGGAGGAGGTGATLIGLGAGGGGGIGGFAVNVGNGVGGLGGQGGQGAALIGLGAGGAGGAGGATVVGLGGNGGDGGDGGGLFSIGVGGDGGNAGNGAMPANGGNGGNAGVIANGSFAPSFVGFGGNGGNGVNGGTGGSGGILFGANGANGPS
Prediction	411000001201000310330210021011000000000010121000000000013003201200210020011002001000210222421111123223201310222012004331235535434334412000002233444244334334123111113324212212223223224214203231441232342242442441242342442442342443242342442441442443342443344344144244144234244245244244143244234134255245244144254244344354143244344244234244336434345424334234335243442542443444444442441451541444442563462442454444343442243342343441422442441534443442443542533423424424414424524414413525514425424425424414322435422435423414414514524414214444256356248
	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

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

Sec.Str
Seq

CCEEHCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
MSFVTAAPEMLATAAQNVANIGTSLSAANATAAASTTSVLAAGADEVSQAIARLFSDYATHYQSLNAQAAAFHHSFVQTLNAAGGAYSSAEAANASAQALEQNLLAVINAPAQALFGRPLIGNGANGTAASPNGGDGGILYGNGGNGFSQTTAGVAGGAGGSAGLIGNGGNGGAGGAGAAGGAGGAGGWLLGNGGAGGPGGPTDVPAGTGGAGGAGGDAPLIGWGGNGGPGGFAAFGNGGAGGNGGASGSLFGVGGAGGVGGSSEDVGGTGGAGGAGRGLFLGLGGDGGAGGTSNNNGGDGGAGGTAGGRLFSLGGDGGNGGAGTAIGSNAGDGGAGGDSSALIGYAQGGSGGLGGFGESTGGDGGLGGAGAVLIGTGVGGFGGLGGGSNGTGGAGGAGGTGATLIGLGAGGGGGIGGFAVNVGNGVGGLGGQGGQGAALIGLGAGGAGGAGGATVVGLGGNGGDGGDGGGLFSIGVGGDGGNAGNGAMPANGGNGGNAGVIANGSFAPSFVGFGGNGGNGVNGGTGGSGGILFGANGANGPS

1vt4I3

0.40

0.39

0.99

3.21

MUSTER

PPYL---QYFYSHIGHHLKNIEHPERMTLFRMVFLDFRFLASGS-QQLKFYKPYICDNDPKYERLVNAILDFLPKYTDLLRIAAEDEAIFEEAHKQVQRGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

1vt4I3

0.38

0.99

3.81

dPPAS

SGSILNTLQQLKFYKPYICDNDPKYERLVNAILDFLPKIEENLICSKYTDLLRIALMAEDE-----AIFEEAHKQVQRGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG--GGGGGGGGG

3hr2A

0.22

0.19

0.86

5.16

wdPPAS

-----------------------------------------------------------------------------QMSYGYDEKSAGVSVPGPMGPSGPRGLGPGAGPQGFQGPGEGEGGSGPMGPPGPPGPQGARGLGTAGLGMGHRGFSGLDGAKGDTGPAGPKGEGSGENGTGQMGPRGLGEGRGPGTAGARGNDGAVGAAGPGPTGPTGPGFGAAGAKGEAGPQGARGSEGPQGVRGEGPGPAGAAGPAGAKGANGAGIAGAGFGARGPSGPQGPSGAGPKGTSGEGAGNKGDTGAKGEAGEEGKRGARGEGPSGLGPGERGGGSRGFGADGVAGPKGPSGERGSGPAGPKGSGEGRGEAGLGAKGLTGSGSGPDGKTGPGPAGQDGRGPAGPGARGQAGVMGFGPKGTAGEGKAGERGVGPGAVGPAGKDGEAGAQGAGPAGPAGERGEQGPAGSGFQGLGPAGPGEAGKGEQGVGDLGAGPSGARGERGFGERGVQGPGPAGPRGNNGAGNDGAKGDTGAGAGSQLGPKGDRGDA

1vt4I3

0.39

0.38

0.96

4.45

wMUSTER

MVFL--LEQKIRNTLQQLKFYKPYICDNDPKYERLVNAIL-ICSKYTDLLRIALMA------EAIFEEAHKQVQR------GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG--GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG--GGGGGGGGGGG

1vt4I3

0.39

0.38

0.97

6.63

wPPAS

LKF---KPYICDNDPKYERLVNAILDFLPKIEEN-------ICSKYTDLLRIALMAEDEAIFEEAHKQVQRGG-------GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG-GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

1vt4I3

0.41

0.38

0.93

7.32

dPPAS2

------YERLVNAILDFLPKICSKYTDLLRIALM-------AEDE---------------------AIFEEAHKQVQRGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG--GGGGGGGGG

1vt4I3

0.39

0.38

0.98

6.37

PPAS

KN--IEHPERMTLF-LDFRFLEQKIR---------STAWNASGSDKYERLVNAILDFLPKKYTDLLRIALMAEDEAIFEEAHKQVQRGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

1vt4I3

0.38

1.00

1.12

Env-PPAS

LHRSIVDHYNIPKTQYFYSHIGHHLKNIEHPERMTLFRMVASGSDKYERLVNAILDFLPKKYTDLLRIALMAEDEAIFEEAHKQVQRGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

3jacA1

0.48

0.31

0.64

2.09

MUSTER

------------------------------------------------------------------------------------------------------------------------------------------------GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG--------GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG----GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG-----GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG--------------------GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG----------------

3hr2A

0.23

0.19

0.86

2.98

dPPAS

-----------------------------------------------------------------------------QMSYGYDEKSAGVSVPGPMGPSGPRGLGPGAGPQGFQGPGEGEGGSGPMGPPGGPGPQGARGLGTAGLGMGHRGFSGLDGAKGDTGPAGPKGEGSGENGTGQMGPRGLGEGRGPGTAGARGNDGAVGAAGPGPTGPTGPGFGAAGAKGEAGPQGARGSEGPQGVRGEGPGPAGAAGPANGADGQGAKGANGAGIAGAGFGARGPSGPQGPSGAGPKGTSGEGAGNKGDTGAKGEVQGPGPAGEEGKRGARGEGPSGLGPGERGGGSRGFGADGVAGPKPSGERGSGPAGPKGSGEAGRGEAGLGAKGLTGSGSGPDGKTGPGPAGQDGRGPAGPGARGQAGVMGFGPKGTAGEGKAGERGVGPGAVGPAGKDGEAGAQGAGPAGPAGERGEQGPAGSGFQGLGPAGPGEAGKGEQGVGDLGAGPSGARGERGFGERGVQGPGPAGPRGNNGAGDGAKGDTGAGAGS

(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=-1.00

Estimated TM-score = 0.59±0.14

Estimated RMSD = 9.8±4.6Å

Download Model 2

C-score=-0.45

Download Model 3

C-score=-1.47

Download Model 4

C-score=-2.49

Download Model 5

C-score=-2.01

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	1vt4I	0.832	3.61	0.382	0.954
2	3iytA	0.649	4.87	0.052	0.810
3	5ifeA	0.566	5.69	0.053	0.770
4	4nsxA	0.565	5.53	0.065	0.740
5	4lgnA	0.554	5.20	0.080	0.718
6	3a0fA	0.545	5.32	0.070	0.711
7	5fkqA	0.542	5.90	0.086	0.742
8	4xfvA	0.541	5.21	0.038	0.691
9	5jwzA	0.538	5.89	0.090	0.739
10	2cn2A	0.536	5.23	0.074	0.696

(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	0.14	7	4j78A	III	Rep, Mult	101,103,146,183,184,186,198,216,218,234,260,275
2	0.08	4	1go7P	CA	Rep, Mult	335,336,337,339,349,350,351
3	0.06	3	1go7P	CA	Rep, Mult	334,335,336,337,339,361,365
4	0.04	2	3sbpA	CUK	Rep, Mult	186,219,259,260,301
5	0.04	2	3pslB	III	Rep, Mult	101,102,103,142,145,146,162,184,186,302
6	0.02	1	1satA	CA	Rep, Mult	409,410,411,413,439
7	0.02	1	3sbpB	CUA	Rep, Mult	258,273,275,277,282
8	0.02	1	1sqj0	III	Rep, Mult	225,240,248,285,286,287,288,289
9	0.02	1	3iurA	III	Rep, Mult	304,319,348
10	0.02	1	1go7P	CA	Rep, Mult	298,300,337,339
11	0.02	1	2zvdA	CA	Rep, Mult	329,331,333,345,346,347,359
12	0.02	1	4v0oF	PB	Rep, Mult	106,148,149,349

	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	1madH	0.405	4.68	0.070	0.503	1.4.99.3	115,154,193
2	0.060	1z68A	0.407	6.24	0.040	0.571	3.4.21.-	NA
3	0.060	1kb0A	0.438	5.91	0.074	0.597	1.1.99.-	NA
4	0.060	2madH	0.406	4.65	0.073	0.503	1.4.99.3	226
5	0.060	1g72A	0.398	4.70	0.076	0.501	1.1.99.8	148
6	0.060	1qksB	0.384	5.09	0.056	0.488	1.7.2.1	219,276,304
7	0.060	1jofA	0.404	4.12	0.067	0.479	5.5.1.5	279
8	0.060	2gbcA	0.410	6.15	0.043	0.575	3.4.14.5,3.4.15.5	NA
9	0.060	2d5lA	0.385	6.42	0.037	0.549	3.4.14.-	NA
10	0.060	1ri6A	0.408	3.50	0.042	0.464	3.1.1.31	NA
11	0.060	2ecfA	0.442	6.91	0.051	0.661	3.4.14.5	NA
12	0.060	2qr5A	0.442	5.06	0.068	0.565	3.4.19.1	NA
13	0.060	1kitA	0.388	5.72	0.065	0.525	3.2.1.18	NA
14	0.060	2ebsB	0.459	5.92	0.095	0.639	3.2.1.150	317
15	0.060	2agsA	0.388	5.30	0.047	0.499	3.2.1.18	106
16	0.060	1aomB	0.395	5.05	0.055	0.503	1.7.99.1,1.7.2.1	NA
17	0.060	1s0kA	0.384	5.19	0.034	0.495	3.2.1.18	293,307
18	0.060	1bxrA	0.388	7.52	0.070	0.619	6.3.5.5	NA
19	0.060	1yiqA	0.445	5.23	0.051	0.575	1.1.99.-	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	0.604	4.97	0.04	0.77	3j2tA	GO:0000166 GO:0001666 GO:0001843 GO:0005524 GO:0005634 GO:0005737 GO:0005829 GO:0006915 GO:0006919 GO:0007275 GO:0007399 GO:0007420 GO:0007568 GO:0007584 GO:0008635 GO:0008656 GO:0010659 GO:0030154 GO:0030900 GO:0031072 GO:0034349 GO:0042802 GO:0042981 GO:0043065 GO:0043293 GO:0043531 GO:0051260 GO:0051402 GO:0070059 GO:0070062 GO:0071560 GO:0072432 GO:0097190 GO:0097193 GO:1902510 GO:2001235
1	0.07	0.570	5.59	0.06	0.77	3sfzA	GO:0000166 GO:0001666 GO:0001843 GO:0005524 GO:0005634 GO:0005737 GO:0005829 GO:0006915 GO:0006919 GO:0007275 GO:0007420 GO:0007568 GO:0007584 GO:0008635 GO:0008656 GO:0010659 GO:0030154 GO:0030900 GO:0031072 GO:0034349 GO:0042802 GO:0042981 GO:0043293 GO:0043531 GO:0051260 GO:0051402 GO:0070059 GO:0070062 GO:0071560 GO:0097190 GO:1902510 GO:2001235
2	0.07	0.565	5.53	0.07	0.74	4nsxA	GO:0005634 GO:0005654 GO:0005730 GO:0006364 GO:0030529 GO:0031167 GO:0032040 GO:0034388 GO:0042254 GO:0042274
3	0.07	0.526	6.04	0.07	0.73	4ci8A	GO:0000226 GO:0002244 GO:0005509 GO:0005737 GO:0005829 GO:0005856 GO:0005874 GO:0005875 GO:0007052 GO:0007405 GO:0007420 GO:0008017 GO:0015631 GO:0048471 GO:0097431 GO:1990023
4	0.07	0.534	5.20	0.06	0.67	2ymuA	GO:0016020 GO:0016021
5	0.07	0.541	5.21	0.04	0.69	4xfvA	GO:0002098 GO:0005634 GO:0005654 GO:0005737 GO:0006351 GO:0006355 GO:0006357 GO:0006810 GO:0008017 GO:0015031 GO:0032447 GO:0033588
6	0.07	0.508	5.36	0.07	0.66	1pguB	GO:0003779 GO:0005737 GO:0005856 GO:0005884 GO:0006970 GO:0030042 GO:0030479 GO:0032466 GO:0051016
7	0.07	0.518	5.38	0.07	0.67	1nr0A	GO:0003779 GO:0005737 GO:0005856 GO:0016528 GO:0030016 GO:0030240 GO:0030836 GO:0030837 GO:0040011 GO:0040012 GO:0042643 GO:0051015 GO:0071689
8	0.07	0.472	4.99	0.06	0.59	5cvlA	GO:0000724 GO:0005634 GO:0005737 GO:0005764 GO:0005768 GO:0005770 GO:0006974 GO:0007283 GO:0007338 GO:0008584 GO:0016032 GO:0016579 GO:0035264 GO:0043588 GO:0048568 GO:0048705 GO:0048872 GO:0050679 GO:0072520 GO:1902525
9	0.06	0.383	3.78	0.05	0.44	5a31R	GO:0005634 GO:0005680 GO:0005737 GO:0007049 GO:0007067 GO:0010697 GO:0010997 GO:0030332 GO:0045842 GO:0051301 GO:0097027 GO:1904668 GO:2000060 GO:2000600
10	0.06	0.424	3.47	0.06	0.48	4j0xB	GO:0000154 GO:0005634 GO:0005654 GO:0005730 GO:0006364 GO:0030515 GO:0030529 GO:0031167 GO:0031428 GO:0032040 GO:0042254
11	0.06	0.385	3.63	0.07	0.44	2h9lA	GO:0000123 GO:0001501 GO:0005622 GO:0005634 GO:0005654 GO:0005671 GO:0006351 GO:0006355 GO:0016568 GO:0018024 GO:0031175 GO:0035064 GO:0035097 GO:0035948 GO:0042800 GO:0043966 GO:0043981 GO:0043982 GO:0043984 GO:0043995 GO:0043996 GO:0044666 GO:0046972 GO:0048188 GO:0051568 GO:0071339
12	0.06	0.382	3.92	0.04	0.45	4lg8A	GO:0000209 GO:0000244 GO:0000245 GO:0000398 GO:0000974 GO:0001833 GO:0004842 GO:0005634 GO:0005654 GO:0005662 GO:0005681 GO:0005737 GO:0005811 GO:0005819 GO:0005856 GO:0006281 GO:0006283 GO:0006303 GO:0006397 GO:0006974 GO:0008380 GO:0008610 GO:0010498 GO:0016020 GO:0016567 GO:0016607 GO:0016874 GO:0034450 GO:0034613 GO:0035861 GO:0042802 GO:0045665 GO:0048026 GO:0048711 GO:0061630 GO:0070534 GO:0071013 GO:0072422
13	0.06	0.418	3.61	0.03	0.48	3cfvB	GO:0000122 GO:0003723 GO:0004407 GO:0005634 GO:0005654 GO:0006260 GO:0006351 GO:0006355 GO:0007275 GO:0008283 GO:0016568 GO:0016575 GO:0016581 GO:0030308 GO:0034080 GO:0035098 GO:0045814 GO:0045892 GO:0048545 GO:0070370 GO:1901796
14	0.06	0.426	3.59	0.06	0.48	3zwlD	GO:0001731 GO:0002183 GO:0002188 GO:0003743 GO:0005737 GO:0005852 GO:0006412 GO:0006413 GO:0006446 GO:0016282 GO:0033290 GO:0043614
15	0.06	0.418	3.83	0.07	0.48	4ui9R	GO:0005634 GO:0005654 GO:0005680 GO:0005737 GO:0005829 GO:0006281 GO:0006974 GO:0007049 GO:0007067 GO:0008284 GO:0010997 GO:0016567 GO:0031145 GO:0031572 GO:0031965 GO:0040020 GO:0042787 GO:0045732 GO:0051301 GO:0051436 GO:0051437 GO:0051439 GO:0070306 GO:0070979 GO:0090344 GO:0097027 GO:1904668
16	0.06	0.415	4.11	0.05	0.50	4bzjC	GO:0000139 GO:0005198 GO:0005783 GO:0005789 GO:0006810 GO:0012507 GO:0015031 GO:0016020 GO:0016192 GO:0030127 GO:0031410 GO:0090114
17	0.06	0.423	3.29	0.06	0.47	3jcrD	GO:0000375 GO:0000398 GO:0005634 GO:0005654 GO:0005681 GO:0005682 GO:0005732 GO:0005737 GO:0006396 GO:0006397 GO:0008380 GO:0044822 GO:0071011 GO:0071013
18	0.06	0.380	3.57	0.04	0.43	2pbiD	GO:0001750 GO:0001917 GO:0004871 GO:0005096 GO:0005634 GO:0005829 GO:0005886 GO:0007165 GO:0007186 GO:0016020 GO:0031682 GO:0043209 GO:0043547 GO:0051087 GO:1901386

Consensus prediction of GO terms

Molecular Function	GO:0043531	GO:0005524	GO:0008656	GO:0031072	GO:0042802	GO:0008017	GO:0005509
GO-Score	0.13	0.13	0.13	0.13	0.13	0.07	0.07
Biological Processes	GO:0060322	GO:0048513	GO:0007417
GO-Score	0.37	0.37	0.37
Cellular Component	GO:0044444	GO:0043231
GO-Score	0.37	0.37

(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.