I-TASSER results

I-TASSER results for job id Rv1867

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

Input Sequence in FASTA format

>protein (494 residues)
MPVDPRTPVLIGYGQVNHRGDIDAEKQSIEPVDLMAAAARKAADSTVLEAVDSIRVVHML
SAHYRNPGQLLGERIKARTFTTGYSGVGGNMPQSLVNRACLDIQRGRAGVVLLAGAETWR
TRTGLRAKGSKLEWTVQDESVPLPDMAGDDVPMAGAAELRINLDRPAYVYPIFEQALRIA
YGESIENHRKRIGELWARFSAVAADNPHAWIRNPVTADEIWQPGPQNRMVSWPYTKLMNS
NNMVDQGAALLLTSVERATRLRIPAERWVYPQAGTDAHDTPAVADRHRLHRSTAIRIAGA
RALELAGLGLDDIEYVDLYSCFPSAVQVAAIELGLDTDDPARPLTVTGGLTFAGGPWSNY
VTHSIATMAELLAANPGRRGLITANGGYLTKHSFGVYGTEPPSEFRWEDMQPAVDREPTG
DGLVEWEGIGTVEAWTTPVNRDGQPEKAFLAVRTPDGSRSLAVITDPASVQATVREDIAG
VKVAVAPDGTATLR

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MPVDPRTPVLIGYGQVNHRGDIDAEKQSIEPVDLMAAAARKAADSTVLEAVDSIRVVHMLSAHYRNPGQLLGERIKARTFTTGYSGVGGNMPQSLVNRACLDIQRGRAGVVLLAGAETWRTRTGLRAKGSKLEWTVQDESVPLPDMAGDDVPMAGAAELRINLDRPAYVYPIFEQALRIAYGESIENHRKRIGELWARFSAVAADNPHAWIRNPVTADEIWQPGPQNRMVSWPYTKLMNSNNMVDQGAALLLTSVERATRLRIPAERWVYPQAGTDAHDTPAVADRHRLHRSTAIRIAGARALELAGLGLDDIEYVDLYSCFPSAVQVAAIELGLDTDDPARPLTVTGGLTFAGGPWSNYVTHSIATMAELLAANPGRRGLITANGGYLTKHSFGVYGTEPPSEFRWEDMQPAVDREPTGDGLVEWEGIGTVEAWTTPVNRDGQPEKAFLAVRTPDGSRSLAVITDPASVQATVREDIAGVKVAVAPDGTATLR
Prediction	CCCCCCCEEEEEEEHCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHCCCCCCEEEEEEHCCCCCCCHHHHHHHHHCCCCCEEEHCCCCCHHHHHHHHHHHHHHHHCCCCEEEEEEEEHCCCCHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHCCCCCHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCHHHHHHCCCCCCCHCCCCCCCCCCCCCCCCEEEEEEHCHHHHHHHCCCCCCEEEEEEEEHCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHCCCHHHCCEEEHCCCCCHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHCCCCCCEHCCCCCEHCCCCEEEHCCCCCHHHHHHHHHHHHHHCCCCCEEEEEHCCEEEEEEEEEEHCCCCCCEEEEEEHCCCCCEEEEHCCCHHHHHHHHHCCCCCCEEEEEHCCCCEHC
Conf.Score	99999866999886566777888887889999999999999999989985556889987578888989999999899987478758887699999999999999899989999977645665566655778888877777766656666666555677776887656789999999999988998999999999999998999869766678999999998678889865476665444677888558999969999999899977569999987578887655677766677999999999999799977877898668997999999999899999988765578998778888776688999999999997688765557876544578746656876556667766655654688765665554557899999995789975799999879997899857999999999867876757999867885559
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MPVDPRTPVLIGYGQVNHRGDIDAEKQSIEPVDLMAAAARKAADSTVLEAVDSIRVVHMLSAHYRNPGQLLGERIKARTFTTGYSGVGGNMPQSLVNRACLDIQRGRAGVVLLAGAETWRTRTGLRAKGSKLEWTVQDESVPLPDMAGDDVPMAGAAELRINLDRPAYVYPIFEQALRIAYGESIENHRKRIGELWARFSAVAADNPHAWIRNPVTADEIWQPGPQNRMVSWPYTKLMNSNNMVDQGAALLLTSVERATRLRIPAERWVYPQAGTDAHDTPAVADRHRLHRSTAIRIAGARALELAGLGLDDIEYVDLYSCFPSAVQVAAIELGLDTDDPARPLTVTGGLTFAGGPWSNYVTHSIATMAELLAANPGRRGLITANGGYLTKHSFGVYGTEPPSEFRWEDMQPAVDREPTGDGLVEWEGIGTVEAWTTPVNRDGQPEKAFLAVRTPDGSRSLAVITDPASVQATVREDIAGVKVAVAPDGTATLR
Prediction	76463200000000103333545352521200100020023004203043000000000001111100110011030321202202000000000011002101102140010000000021332343344242323443142231122212212111211101210210010011003412343540142003000302410240120112640201201424651100010011000000200000000000251056172444200100000000111201302100112000200420053060315000000000000000000021020047366230003110101000000000000010021014322420101000000010000000011013002401351363315433102012200000000101152403100000006522100010513400430174311324020315353417
	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

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

Sec.Str
Seq

CCCCCCCEEEEEEEHCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHCCCCCCEEEEEEHCCCCCCCHHHHHHHHHCCCCCEEEHCCCCCHHHHHHHHHHHHHHHHCCCCEEEEEEEEHCCCCHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHCCCCCHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCHHHHHHCCCCCCCHCCCCCCCCCCCCCCCCEEEEEEHCHHHHHHHCCCCCCEEEEEEEEHCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHCCCHHHCCEEEHCCCCCHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHCCCCCCEHCCCCCEHCCCCEEEHCCCCCHHHHHHHHHHHHHHCCCCCEEEEEHCCEEEEEEEEEEHCCCCCCEEEEEEHCCCCCEEEEHCCCHHHHHHHHHCCCCCCEEEEEHCCCCEHC
MPVDPRTPVLIGYGQVNHRGDIDAEKQSIEPVDLMAAAARKAADSTVLEAVDSIRVVHMLSAHYRNPGQLLGERIKARTFTTGYSGVGGNMPQSLVNRACLDIQRGRAGVVLLAGAETWRTRTGLRAKGSKLEWTVQDESVPLPDMAGDDVPMAGAAELRINLDRPAYVYPIFEQALRIAYGESIENHRKRIGELWARFSAVAADNPHAWIRNPVTADEIWQPGPQNRMVSWPYTKLMNSNNMVDQGAALLLTSVERATRLRIPAERWVYPQAGTDAHDTPAVADRHRLHRSTAIRIAGARALELAGLGLDDIEYVDLYSCFPSAVQVAAIELGLDTDDPARPLTVTGGLTFAGGPWSNYVTHSIATMAELLAANPGRRGLITANGGYLTKHSFGVYGTEPPSEFRWEDMQPAVDREPTGDGLVEWEGIGTVEAWTTPVNRDGQPEKAFLAVRTPDGSRSLAVITDPASVQATVREDIAGVKVAVAPDGTATLR

4egvA

0.34

0.29

0.87

2.64

MUSTER

--VDPRTPVIVGVGQFTEG----------SSVELATEAAKAALHDCGADADTVAAIDTVAGTRQSNYPRSVARNIGADPAHAVLEVIGGQSPQHLATEFGGKIAAGENDVVLIFGSENTSEY-----------------------------------TIRHGLIGAPVQYGLLENARRARLGLS-VADYRLAAELFAPFSKVAAKNPYSSAPTERSVEELLTVTASNR-IVDPYPRL--VAQVNQGAALLS---VESARKLGVPEEKWVYLRGHADKEPK--LLERADIGASPASVTAVNEALRVAGIGLDDVAAFDLYSCFPFPVFNICDGTGLATDDPR-GLTLTGGLPFFGGLGNNY-SHGIAEAVNERDKP-GQFALVGANGGIASKYSVGIYSTEPAVADNSAQLQAEHDAQPKVAITEKADGTGTIETYTVRY--DWTPHTGIIIGRLDDGSRFLAKTKDEDLVKLLSEGDPIGAKIVVTPGEKSN-R

4egvA

0.33

0.29

0.88

4.28

dPPAS

--VDPRTPVIVGVGQFTEG----------SSVELATEAAKAALHDCGADADTVARAITVAGTRQSNYPRSVARNIGADPAHAVLEVIGGQSPQHLATEFGGKIAAGENDVVLIFGSENTSEY-----------------------------------TIRHGLIGAPVQYGLLENARRARLGLS-VADYRLAAELFAPFSKVAAKNPYSSAPTERSVEELLTVTA-SNRIVDPYPRL--VAQVNQGAALLS---VESARKLGVPEEKWVYLRGHADKEPK--LLERADIGASPASVTAVNEALRVAGIGLDDVAAFDLYSCFPFPVFNICDGTGLATDDPRG-LTLTGGLPFFGGLGNNY-SHGIAEAVNERDK-PGQFALVGANGGIASKYSVGIYSTEPAVADNSAQLQAEHDAQPKVAITEKADGTGTIETYTVRY--DWTPHTGIIIGRLDDGSRFLAKTKDEDLVKLLSEGDPIGAKIVVTPGEKSNRA

4egvA

0.33

0.29

0.87

5.00

wdPPAS

--VDPRTPVIVGVGQFTEG----------SSVELATEAAKAALHDCGADAVARAIDTVAG-TRQSNYPRSVARNIGADPAHAVLEVIGGQSPQHLATEFGGKIAAGENDVVLIFGSENTSEY-----------------------------------TIRHGLIGAPVQYGLLENARRARLGLS-VADYRLAAELFAPFSKVAAKNPYSSAPTERSVEELLTVTAS-NRIVDPYPRL--VAQVNQGAALLS---VESARKLGVPEEKWVYLRGHADKEP--KLLERADIGASPASVTAVNEALRVAGIGLDDVAAFDLYSCFPFPVFNICDGTGLATDDPRG-LTLTGGLPFFGGLGNNYS-HGIAEAVNERDKP-GQFALVGANGGIASKYSVGIYSTEPADWVNSAQLQAEHDAQPKVAITEKADGTGTIETYTVRY--DWTPHTGIIIGRLDDGSRFLAKTKDEDLVKLLSEGDPIGAKIVVTPGEKSNRA

4egvA

0.33

0.29

0.87

3.57

wMUSTER

---DPRTPVIVGVGQFTEG----------SSVELATEAAKAALHDCGADAVARAIDTVA-GTRQSNYPRSVARNIGADPAHAVLEVIGGQSPQHLATEFGGKIAAGENDVVLIFGSENTSEY-----------------------------------TIRHGLIGAPVQYGLLENARRARLGLS-VADYRLAAELFAPFSKVAAKNPYSSAPTERSVEELLTVTAS-NRIVDPYPRL--VAQVNQGAALLS---VESARKLGVPEEKWVYLRGHADKEP--KLLERADIGASPASVTAVNEALRVAGIGLDDVAAFDLYSCFPFPVFNICDGTGLATDDP-RGLTLTGGLPFFGGLGNNY-SHGIAEAVNERDKP-GQFALVGANGGIASKYSVGIYSTEPAVADNSAQLQAEHDAQPKVAITEKADGTGTIETYTVRY--DWTPHTGIIIGRLDDGSRFLAKTKDEDLVKLLSEGDPIGAKIVVTPGEKSN-R

4egvA

0.33

0.29

0.87

5.08

wPPAS

V--DPRTPVIVGVGQFTEG----------SSVELATEAAKAALHDCGADAVARAIDTVA-GTRQSNYPRSVARNIGADPAHAVLEVIGGQSPQHLATEFGGKIAAGENDVVLIFGSENTSEY-----------------------------------TIRHGLIGAPVQYGLLENARRARLGLS-VADYRLAAELFAPFSKVAAKNPYSSAPTERSVEELLTVTA-SNRIVDPYPRL--VAQVNQGAALLS---VESARKLGVPEEKWVYLRGHADKEP--KLLERADIGASPASVTAVNEALRVAGIGLDDVAAFDLYSCFPFPVFNICDGTGLATDDPR-GLTLTGGLPFFGGLGNNYS-HGIAEAVNERDKP-GQFALVGANGGIASKYSVGIYSTEPAVADNSAQLQAEHDAQPKVAITEKADGTGTIETYTVRY--DWTPHTGIIIGRLDDGSRFLAKTKDEDLVKLLSEGDPIGAKIVVTPGEKSN-R

4egvA

0.33

0.29

0.88

9.90

dPPAS2

--VDPRTPVIVGVGQFTEG----------SSVELATEAAKAALHDCGADADTVARAITVAGTRQSNYPRSVARNIGADPAHAVLEVIGGQSPQHLATEFGGKIAAGENDVVLIFGSENTSEY-----------------------------------TIRHGLIGAPVQYGLLENARRARLGLS-VADYRLAAELFAPFSKVAAKNPYSSAPTERSVEELLTVTA-SNRIVDPYPRL--VAQVNQGAALLS---VESARKLGVPEEKWVYLRGHADKEPK--LLERADIGASPASVTAVNEALRVAGIGLDDVAAFDLYSCFPFPVFNICDGTGLATDDPRG-LTLTGGLPFFGGLGNNY-SHGIAEAVNERDK-PGQFALVGANGGIASKYSVGIYSTEPAVADNSAQLQAEHDAQPKVAITEKADGTGTIETYTVRY--DWTPHTGIIIGRLDDGSRFLAKTKDEDLVKLLSEGDPIGAKIVVTPGEKSNRA

4egvA

0.33

0.29

0.88

4.70

PPAS

V--DPRTPVIVGVGQFTEG----------SSVELATEAAKAALHDCGADADTVARAITVAGTRQSNYPRSVARNIGADPAHAVLEVIGGQSPQHLATEFGGKIAAGENDVVLIFGSENTSEY-----------------------------------TIRHGLIGAPVQYGLLENARRARLGLS-VADYRLAAELFAPFSKVAAKNPYSSAPTERSVEELLTVTA-SNRIVDPYPRL--VAQVNQGAALLS---VESARKLGVPEEKWVYLRGHADKEPK--LLERADIGASPASVTAVNEALRVAGIGLDDVAAFDLYSCFPFPVFNICDGTGLATDDPR-GLTLTGGLPFFGGLGNNY-SHGIAEAVNERDKP-GQFALVGANGGIASKYSVGIYSTEPAVADNSAQLQAEHDAQPKVAITEKADGTGTIETYTVRY--DWTPHTGIIIGRLDDGSRFLAKTKDEDLVKLLSEGDPIGAKIVVTPGEKSNRA

4egvA

0.33

0.29

0.88

6.83

Env-PPAS

V--DPRTPVIVGVGQFTEG----------SSVELATEAAKAALHDCGADADTVARAITVAGTRQSNYPRSVARNIGADPAHAVLEVIGGQSPQHLATEFGGKIAAGENDVVLIFGSENTSEY-----------------------------------TIRHGLIGAPVQYGLLENARRARLGLS-VADYRLAAELFAPFSKVAAKNPYSSAPTERSVEELLTVTA-SNRIVDPYPRL--VAQVNQGAALLS---VESARKLGVPEEKWVYLRGHADKEPK--LLERADIGASPASVTAVNEALRVAGIGLDDVAAFDLYSCFPFPVFNICDGTGLATDDPR-GLTLTGGLPFFGGLGNNYS-HGIAEAVNERDK-PGQFALVGANGGIASKYSVGIYSTEPAVADNSAQLQAEHDAQPKVAITEKADGTGTIETYTVRY--DWTPHTGIIIGRLDDGSRFLAKTKDEDLVKLLSEGDPIGAKIVVTPGEKSNRA

5ab4A

0.19

0.14

0.73

1.97

MUSTER

----SQVVRIVGVGRTGIGK------LHKSVDELAASALKCALVDANMKDLQALIAVPSLASPQFMQAHHIATVAGLFPFIVRTVDTGGAGPITALGMAVDLVRTRCAETVAVIAADAVLSMGSGAFAERSNASLRRSGLPEP---------------------CIPHGYDRYAQWYMSRYGLK----REQLAMVPVLMSKMAERHPEAMCQKAYTLDEVLH----SRCVAPVTN-LLECARRADGAVALIVSGEAHYAEHFGGSKPIIASVAEASGPLFPPGSSDDIVPDIFSCRHAARDAFLSANLNVGDIHFFGLYDCFPICLIQAVEAVGLCPEGKGGPINTHGGLQCFGAPWEVPAMYNITEAIAQLSEEAGDRQLVYGNGGIFSASSVAILISDL---------------------------------------------------------------------------------------------

5ab4A

0.18

0.13

0.73

3.28

dPPAS

----SQVVRIVGVGRTGIGK------LHKSVDELAASALKCALVDANMKQLQALIAVPSLASPQFMQAHHIATVAGLFPTIVRTVDTGGAGPITALGMAVDLVRTRCAETVAVIAADAVLSMGSGAFAERSNASLRRSGLPE---------------------PCIPHGYDRYAQWYMSRYGLK----REQLAMVPVLMSKMAERHPEAMCQKAYTLDEVLH----SRCVAPVTN-LLECARRADGAVALIVSGEAHYAEHFAHLGGIIASVAEASGPLFPPGSSDDIVPDIFSCRHAARDAFLSANLNVGDIHFFGLYDCFPICLIQAVEAVGLCPEGKGFPINTHGGLQCFGAPWEVPAMYNITEAIAQLSEEAGDRQLTPVPGGIFSASSVAILISDL---------------------------------------------------------------------------------------------

(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=0.72

Estimated TM-score = 0.81±0.09

Estimated RMSD = 5.7±3.6Å

Download Model 2

C-score=-0.96

Download Model 3

C-score=-1.90

Download Model 4

C-score=-0.07

Download Model 5

C-score=-3.33

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	4egvA	0.856	1.28	0.349	0.876
2	3zbgA	0.687	2.67	0.137	0.753
3	5ab4A	0.657	2.91	0.178	0.727
4	2d3tC	0.629	3.28	0.147	0.713
5	1afwB	0.626	3.49	0.152	0.713
6	1ulqC	0.623	3.28	0.163	0.702
7	4e1lA	0.621	3.62	0.156	0.707
8	4ubtA	0.619	3.52	0.144	0.705
9	4o99A	0.618	3.30	0.140	0.692
10	4dd5A	0.618	3.32	0.177	0.692

(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	0.19	15	5ab7A	MLC	Rep, Mult	88,89,127,166,170,215,228,236,238,240,242,243,319,321,322,350,385,386,387
2	0.10	9	2wkvB	COA	Rep, Mult	89,167,213,219,220,231,236,237,242,321,322,385
3	0.07	6	2d3tC	ACO	Rep, Mult	89,166,200,220,231,238,319,321,322,355,385
4	0.01	1	2wl5A	DNO	Rep, Mult	216,218,219
5	0.01	1	1wdlC	ACO	Rep, Mult	220,231,236,237,243
6	0.01	1	3f1f4	MG	Rep, Mult	319,320
7	0.01	1	4yzoD	CA	Rep, Mult	88,89,386,387
8	0.01	1	1i95K	WO2	Rep, Mult	233,234
9	0.01	1	2wl5C	DNO	Rep, Mult	148,149
10	0.01	1	1c3xB	CA	Rep, Mult	182,194
11	0.01	1	2v1rA	III	Rep, Mult	319,322,356,359,360
12	0.01	1	2w35A	MG	Rep, Mult	245,317
13	0.01	1	2wkuA	DNO	Rep, Mult	202,344,346
14	0.01	1	2wl5C	DNO	Rep, Mult	304,305,306,307
15	0.01	1	3begB	UUU	Rep, Mult	315,319
16	0.01	1	3ej3B	ACT	Rep, Mult	207,230

	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	0.109	1wdkD	0.630	3.27	0.147	0.713	2.3.1.16	240,322
2	0.107	1afwB	0.626	3.49	0.152	0.713	2.3.1.16	387
3	0.103	1m1tA	0.617	3.38	0.156	0.696	2.3.1.9	NA
4	0.098	2iikB	0.617	3.35	0.143	0.696	2.3.1.16	387
5	0.085	1pxtB	0.567	3.24	0.151	0.638	2.3.1.16	NA
6	0.067	2ebdA	0.455	3.56	0.147	0.524	2.3.1.180	NA
7	0.066	1hn9A	0.451	3.58	0.113	0.520	2.3.1.180	NA
8	0.066	3h77B	0.462	3.65	0.172	0.534	2.3.1.180	364
9	0.066	1tedA	0.481	3.93	0.135	0.563	2.3.1.74	NA
10	0.066	1mzjA	0.457	3.83	0.134	0.534	2.3.1.180	NA
11	0.060	2c7yB	0.602	3.19	0.162	0.674	2.3.1.16	386
12	0.060	2jfdA	0.230	7.12	0.042	0.364	2.3.1.85	NA
13	0.060	1j3nA	0.509	3.85	0.140	0.591	2.3.1.41	NA
14	0.060	2ix4A	0.513	3.84	0.133	0.595	2.3.1.41	386
15	0.060	1wdkC	0.631	3.27	0.150	0.713	2.3.1.16	387
16	0.060	2c9hA	0.511	3.89	0.141	0.595	2.3.1.41	NA
17	0.060	2wgdA	0.501	4.05	0.130	0.593	2.3.1.41	NA
18	0.060	1e5mA	0.510	3.96	0.125	0.595	2.3.1.179	NA
19	0.060	1w0iA	0.513	3.90	0.133	0.597	2.3.1.41	NA
20	0.060	3kzuA	0.512	3.79	0.115	0.593	2.3.1.41	NA
21	0.060	2ib7D	0.617	3.40	0.144	0.694	2.3.1.9	387
22	0.060	3e1hA	0.491	4.00	0.117	0.579	2.3.1.74	NA
23	0.060	1dd8A	0.503	3.96	0.098	0.587	2.3.1.41	NA
24	0.060	2c7zA	0.602	3.19	0.162	0.674	2.3.1.16	93
25	0.060	3fk5A	0.483	3.96	0.131	0.571	2.3.1.41	NA
26	0.060	2p0uA	0.483	4.10	0.113	0.577	2.3.1.74	NA
27	0.060	2gqdA	0.509	3.98	0.122	0.597	2.3.1.179	NA
28	0.060	3hmjA	0.521	3.97	0.074	0.611	2.3.1.86	NA
29	0.060	1kasA	0.507	3.87	0.140	0.591	2.3.1.179	386

(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	0.44	0.880	1.33	0.35	0.90	4egvC	GO:0003824 GO:0008152 GO:0016740
1	0.25	0.685	2.67	0.17	0.75	4bi9C	GO:0003824 GO:0003988 GO:0005739 GO:0008152 GO:0016740 GO:0016746 GO:0016747
2	0.23	0.656	2.91	0.17	0.73	5ab5A	GO:0003824 GO:0008152 GO:0016747
3	0.17	0.629	3.28	0.15	0.71	2d3tC	GO:0003824 GO:0003988 GO:0005737 GO:0006629 GO:0006631 GO:0006635 GO:0008152 GO:0016042 GO:0016740 GO:0016746 GO:0016747
4	0.17	0.617	3.40	0.14	0.69	2ib7D	GO:0001889 GO:0003824 GO:0003985 GO:0005739 GO:0005743 GO:0005759 GO:0007420 GO:0008152 GO:0009083 GO:0009725 GO:0014070 GO:0016740 GO:0016746 GO:0016747 GO:0019899 GO:0042594 GO:0042803 GO:0046872 GO:0046951 GO:0046952 GO:0050662 GO:0051260 GO:0060612 GO:0070062 GO:0072229
5	0.11	0.611	3.02	0.20	0.68	4u4eA	GO:0003824 GO:0008152 GO:0016747
6	0.11	0.618	2.75	0.17	0.68	4yzoA	GO:0003824 GO:0008152 GO:0016740 GO:0016746 GO:0016747
7	0.11	0.615	3.22	0.17	0.69	3goaB	GO:0003824 GO:0003988 GO:0005737 GO:0006629 GO:0006631 GO:0006635 GO:0008152 GO:0016042 GO:0016740 GO:0016746 GO:0016747
8	0.10	0.600	2.92	0.17	0.66	4e1lD	GO:0003824 GO:0003985 GO:0008152 GO:0016740 GO:0016746 GO:0016747
9	0.10	0.609	3.47	0.14	0.69	3ss6A	GO:0003824 GO:0003985 GO:0008152 GO:0016740 GO:0016746 GO:0016747
10	0.10	0.687	2.67	0.14	0.75	3zbgA	GO:0003824 GO:0003988 GO:0008152 GO:0016740 GO:0016746 GO:0016747
11	0.09	0.570	3.41	0.18	0.64	3svkA	GO:0003824 GO:0008152 GO:0016740 GO:0016746 GO:0016747
12	0.09	0.567	3.24	0.15	0.64	1pxtB	GO:0003729 GO:0003824 GO:0003988 GO:0005758 GO:0005777 GO:0005782 GO:0006629 GO:0006631 GO:0006635 GO:0008152 GO:0016740 GO:0016746 GO:0016747
13	0.07	0.625	3.36	0.18	0.71	5bz4G	GO:0003824 GO:0008152 GO:0016747
14	0.07	0.626	3.49	0.15	0.71	1afwB	GO:0003729 GO:0003824 GO:0003988 GO:0005758 GO:0005777 GO:0005782 GO:0006629 GO:0006631 GO:0006635 GO:0008152 GO:0016740 GO:0016746 GO:0016747
15	0.07	0.614	3.29	0.16	0.69	4nzsA	GO:0003824 GO:0003985 GO:0003988 GO:0008152 GO:0016740 GO:0016746 GO:0016747
16	0.07	0.620	3.40	0.17	0.70	4b3iD	GO:0003824 GO:0005618 GO:0005886 GO:0008152 GO:0016740 GO:0016746 GO:0016747
17	0.07	0.623	3.28	0.16	0.70	1ulqC	GO:0003824 GO:0008152 GO:0016740 GO:0016746 GO:0016747
18	0.07	0.618	3.34	0.14	0.69	4o9cA	GO:0003824 GO:0003985 GO:0005737 GO:0008152 GO:0016740 GO:0016746 GO:0016747 GO:0042619
19	0.07	0.618	3.31	0.15	0.70	2wuaB	GO:0003824 GO:0003988 GO:0008152 GO:0016740 GO:0016746 GO:0016747
20	0.07	0.618	3.32	0.18	0.69	4dd5A	GO:0003824 GO:0003985 GO:0005737 GO:0008152 GO:0016740 GO:0016746 GO:0016747
21	0.07	0.620	3.37	0.14	0.70	1wl4A	GO:0003824 GO:0003985 GO:0005634 GO:0005730 GO:0005737 GO:0006629 GO:0008152 GO:0016740 GO:0016746 GO:0016747 GO:0070062
22	0.07	0.621	3.62	0.16	0.71	4e1lA	GO:0003824 GO:0003985 GO:0008152 GO:0016740 GO:0016746 GO:0016747
23	0.07	0.617	3.35	0.14	0.70	2iikB	GO:0000038 GO:0003824 GO:0003988 GO:0005777 GO:0005782 GO:0006629 GO:0006631 GO:0006635 GO:0008152 GO:0008206 GO:0008775 GO:0016020 GO:0016401 GO:0016740 GO:0016746 GO:0016747 GO:0033540 GO:0036109 GO:0043231
24	0.07	0.619	3.42	0.17	0.70	2wu9A	GO:0003824 GO:0003988 GO:0005730 GO:0005739 GO:0005774 GO:0005777 GO:0005829 GO:0006629 GO:0006631 GO:0006633 GO:0006635 GO:0008152 GO:0009507 GO:0009514 GO:0009611 GO:0009695 GO:0009789 GO:0010111 GO:0016020 GO:0016740 GO:0016746 GO:0016747 GO:0031408
25	0.07	0.619	3.52	0.14	0.70	4ubtA	GO:0003824 GO:0008152 GO:0016740 GO:0016747

Consensus prediction of GO terms

Molecular Function	GO:0003988	GO:0046983	GO:0048037	GO:0043169	GO:0016453	GO:0042802
GO-Score	0.38	0.35	0.35	0.35	0.35	0.35
Biological Processes	GO:0010033	GO:0060322	GO:0072237	GO:1902224	GO:0009719	GO:0061448	GO:0006950	GO:0031667	GO:0061008	GO:0051259	GO:0009062	GO:0007417	GO:0048732	GO:0019395	GO:0044249	GO:0009081	GO:0044283	GO:1901576	GO:1901565	GO:0046950	GO:0072019
GO-Score	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35	0.35
Cellular Component	GO:0031966	GO:1903561	GO:0019866	GO:0031988	GO:0070013
GO-Score	0.35	0.35	0.35	0.35	0.35

(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.