I-TASSER results

I-TASSER results for job id Rv0210

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

Input Sequence in FASTA format

>protein (492 residues)
MIRAASDDPAGVDELVAAIAPGLAGLGLPVINRREVVLVTGPWLAGVSGVRAALAERLPQ
RRFVETAELGPGDAPVAVVFVVSAATALTESDCVLLDTAAEHTDAVVAVVSKIDVHRGWR
DVLTSNRDRLAARASRYARVPWVGAAAAPELGEPYLDDLVAAIQKQLADPAVARRNMLRA
WESRLLMVARRFDGDAQSAGRRARVDALRQQRRTVLRQGRQSKSEHTIALRAQIQHARVK
LSYFARNRCSLLRVELQEHVAGLSRKDIARFAAYTRGRVQEVVAEVGEGAVAHLADVAQL
LGVPVQPPVLENLPAVLPTVVAPPLTSRRLEIRLTTLLGAGFGLGIALTLSRLVAGLTPG
LAASGMVAGVAIGLAVTAWVVNARALLHDRVVVDRWTGEVTASLRSVVEQLVATRVVAVE
TLLSTAISERDDAENARVADQVSIIDGELREHAVAAARAAALRDREMPAVRAALEAVRAE
LGEPGAPTTGLF

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MIRAASDDPAGVDELVAAIAPGLAGLGLPVINRREVVLVTGPWLAGVSGVRAALAERLPQRRFVETAELGPGDAPVAVVFVVSAATALTESDCVLLDTAAEHTDAVVAVVSKIDVHRGWRDVLTSNRDRLAARASRYARVPWVGAAAAPELGEPYLDDLVAAIQKQLADPAVARRNMLRAWESRLLMVARRFDGDAQSAGRRARVDALRQQRRTVLRQGRQSKSEHTIALRAQIQHARVKLSYFARNRCSLLRVELQEHVAGLSRKDIARFAAYTRGRVQEVVAEVGEGAVAHLADVAQLLGVPVQPPVLENLPAVLPTVVAPPLTSRRLEIRLTTLLGAGFGLGIALTLSRLVAGLTPGLAASGMVAGVAIGLAVTAWVVNARALLHDRVVVDRWTGEVTASLRSVVEQLVATRVVAVETLLSTAISERDDAENARVADQVSIIDGELREHAVAAARAAALRDREMPAVRAALEAVRAELGEPGAPTTGLF
Prediction	CCCCCCCCCCHHHHHHHHCCCCEEEHCCCCCCCCCEEEEHCCCCCCCHHHHHHHHHHCCCCCEEHCCCCCCCCCCCEEEEEHCCCCCCCHHHHHHHHHHHHHCCEEEEEEHCCCCCCCHHHHHHHHHHHHHHHCCCCCCCEEEHCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCHHHCCHHHHHHHEEEHCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCC
Conf.Score	988788886556667765587655555777665657999878888754678888876566654544445566778599999869999999999999999998996999996655788789999999999999856777765775455544455667999999999998899999999999999999999988888877656789999999999999999999999999999999999999999999999999999999999788677899999999999999999999999999999999856555566666555555566676454555555554444444446777888888888888778888999999999999999988999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999999875566556779
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MIRAASDDPAGVDELVAAIAPGLAGLGLPVINRREVVLVTGPWLAGVSGVRAALAERLPQRRFVETAELGPGDAPVAVVFVVSAATALTESDCVLLDTAAEHTDAVVAVVSKIDVHRGWRDVLTSNRDRLAARASRYARVPWVGAAAAPELGEPYLDDLVAAIQKQLADPAVARRNMLRAWESRLLMVARRFDGDAQSAGRRARVDALRQQRRTVLRQGRQSKSEHTIALRAQIQHARVKLSYFARNRCSLLRVELQEHVAGLSRKDIARFAAYTRGRVQEVVAEVGEGAVAHLADVAQLLGVPVQPPVLENLPAVLPTVVAPPLTSRRLEIRLTTLLGAGFGLGIALTLSRLVAGLTPGLAASGMVAGVAIGLAVTAWVVNARALLHDRVVVDRWTGEVTASLRSVVEQLVATRVVAVETLLSTAISERDDAENARVADQVSIIDGELREHAVAAARAAALRDREMPAVRAALEAVRAELGEPGAPTTGLF
Prediction	733335421330340044132320414243242320000000310012102410353036241143341431410000000000224134500400420272021000000000223404400530252036204220401010001134323420540052036204543243242032034203423442445354364454145135414532552455345024302420340133024303510440153035203714263045025302510340043024102420340042023415325454244224534426354342442120001221101002100100011113122000210111011000000222233412430342034014302430242034104402540152034335412540353054025314533442444254046415404520540253155461433006
	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

CCCCCCCCCCHHHHHHHHCCCCEEEHCCCCCCCCCEEEEHCCCCCCCHHHHHHHHHHCCCCCEEHCCCCCCCCCCCEEEEEHCCCCCCCHHHHHHHHHHHHHCCEEEEEEHCCCCCCCHHHHHHHHHHHHHHHCCCCCCCEEEHCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCHHHCCHHHHHHHEEEHCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCC
MIRAASDDPAGVDELVAAIAPGLAGLGLPVINRREVVLVTGPWLAGVSGVRAALAERLPQRRFVETAELGPGDAPVAVVFVVSAATALTESDCVLLDTAAEHTDAVVAVVSKIDVHRGWRDVLTSNRDRLAARASRYARVPWVGAAAAPELGEPYLDDLVAAIQKQLADPAVARRNMLRAWESRLLMVARRFDGDAQSAGRRARVDALRQQRRTVLRQGRQSKSEHTIALRAQIQHARVKLSYFARNRCSLLRVELQEHVAGLSRKDIARFAAYTRGRVQEVVAEVGEGAVAHLADVAQLLGVPVQPPVLENLPAVLPTVVAPPLTSRRLEIRLTTLLGAGFGLGIALTLSRLVAGLTPGLAASGMVAGVAIGLAVTAWVVNARALLHDRVVVDRWTGEVTASLRSVVEQLVATRVVAVETLLSTAISERDDAENARVADQVSIIDGELREHAVAAARAAALRDREMPAVRAALEAVRAELGEPGAPTTGLF

4aurA

0.13

0.12

0.91

1.17

MUSTER

ELGEGINISDDLQKVTSAIVLRIALLGKPEGLPDQCEIVDTPGLFDGRLVYEDLTRR-------------YISEAHLIFYVVDATNPLKESHSDIVKWVLRDLNKTIFVINKDEVTSLFDEQAAIKKANLKGKLQRAADLNIVCVASNPYESRSRINDLKNAATEILKTNVPEVLLVKTG-DVVKDIVIQRVTLASRHLDELNTFVEKNDEDHRFSNDIKQSRIEVKRLAGELFEELNLEKLSQLRPLDLDDIRPFDDELGYTEDGVGFKLHLRIKQSVDRFFEQSTAVSQRLSDDITRQLSSSESFLSGLGEGAFRSLGGAFKGVSKISPATLKT------TILAARDTIGKLTGYATKLAGSIAKWAGPVGAAFTIGSDLWDAYK------AHEREQELKEVKASLAKIIKEPFEDIYDVLSSDEKFAFFAPQIQQEQVVTELAEKSQAIRDNRQKLSLIQTQLAQLVPAT-------------------

4aurA

0.11

0.10

0.91

1.08

dPPAS

WLGKVDDNISD-------ESSDRLSIYKPEGLPDQCEIVDTPGLFDGRLVYEDLTRRY-------------ISEAHLIFYVVDATNPLKESHSDIVKWVLRDLNKTIFVINKDEVTSLAAIKKANLKGKLQRAADLTAQLNIVCVASNPTYWFTKPEHYESRSRINDLKNAATEILKTNVPEVLLVKTGDVVKDIVIQRVTLASRHLDELNTFVEKNDEDHRFSNDIKQSRIEVKRLAGELFEELNLEKQLSQRPFDDELGYTEDGVGFKLHLRIKQSVDRFFEQSTAVSQRLSDDITRQLSSSESFLSGLGEGAFRSLGGAFKGVSKISPATLKTTI----LAARDTIGKLTGYVYKFKPWEATKLAGSIAKWAGPVGAAFTIGSDLWDAYKAHEREQELKEVKASLAKIIKEPFEDIYDVLSSDEKFAFFAPQIQQEQVVTELAEKSQAIRDNRQKLSLIQTQLAQLVPAT-------------------

4aurA

0.12

0.11

0.88

1.64

wdPPAS

WLGKVDDNISDE-------SSDRLSIYKPEGLPDQCEIVDTPGLFDGRLVYEDLTRR-------------YISEAHLIFYVVDATNPLKESHSDIVKWVLRDLNKTIFVINKDEVTSLFDEQAAIKKANLKGKLQRAADLNIVCVASNPYESRSRINDLKNAATEILKTNVPEVLLVKTG-----DVVKDIVIQRVTLASRHLDELNTFVEKNDEDHRFSNDIKQSRIEVKRLAGELFEELNLEKQLSQRPFDDELGYTEDGVGHLRIKQSVDRFFEQSTAVSQRLSDDITRQLSSSESFLSGLGEGAFRSLGGAFKGVSKISPATLKTTILAARDTIGKLTGYVYK-FKPWEATKLAGSIAKWAGPVGAAFTIGSDLWDA------------AHEREQELKEVKASLAKIIKEPFEDIYDVLSSDEKFAFFAPQIQQ--------EQVVTELAEKSQAIRDNRQKLSLIQTQLAQLVPAT-----------

4aurA

0.14

0.12

0.90

1.45

wMUSTER

ELGEGINISDDLQKVTSAIVLRIALLGKPEGLPDQCEIVDTPGLFDGRLVYEDLTRR-------------YISEAHLIFYVVDATNPLKESHSDIVKWVLRDLNKTIFVINKDEVTSLFDEQAAIKKANLKGKLQRAADLNIVCVASNPYESRSRINDLKNAATEILKTNVPEVLLVKTG-----DVVKDIVIQRVTLASRHLDELNTFVEKNDEDHRFSNDIKQSRIEVKRLAGELFEELNLEKLSQLRPLIRPFDDELGYTEDGVGFKLHLRIKQSVDRFFEQSTAVSQRLSDDITRQLSSSESFLSGLGEGAFRSLGGAFKGVSKISPATLKTTI-LAARDTIGKLTGYVATKLAGSIAKWAGPVGAAFTIGSDLWDAYK-------------------------AHEREQELKEVKASLAKIIKEPFEDIYDVLSSDEKFAFFAPQIQQEQVVTELAEKSQAIRDNRQKLSLIQTQLAQLVPAT----

4aurA

0.13

0.11

0.87

2.27

wPPAS

WLGKVDDNISDE--------SDRLSIYKPEGLPDQCEIVDTPGLFDGRLVYEDLTRR-------------YISEAHLIFYVVDATNPLKESHSDIVKWVLRDLNKTIFVINKDEVTSLFDEQAAIKKANLKGKLQRAADLNIVCVASNPYESRSRINDLKNAATEILKTNVPEVLLVKTG-----DVVKDIVIQRVTLASRHLDELNTFVEKNDEDHRFSNDIKQSRIEVKRLAGELFEELNLEKLSQLRPLIRPFDDELGYTEDGVGFKLHLRIKQSVDRFFEQSTAVSQRLSDDITRQL-SGLGEGAFRSLGGAFKGVSKISPAT--LKTTILA-----ARDTIGKLTGYVYTKLAGSIAKWAGPVGAAFTIGSDLWDA-------KAHEREQELKEVKASLAKIIKEPFEDIYDVLSSDEKFAFFA--------PQIQQ----EQVVTELAEKSQAIRDNRQKLSLIQTQLAQL-------PAT-----

4aurA

0.12

0.11

0.88

1.87

dPPAS2

ISDESSDRL---------------SIYKPEGLPDQCEIVDTPGLFDGRLVYEDLTRRY-------------ISEAHLIFYVVDATNPLKESHSDIVKWVLRDLNKTIFVINKDEVTSLFDEQAAIKKANLKGKLQRAADLNIVCVASNPTYWFTKPEHYESRSRINDLKNAATEILKTNVPEVLLVKTGDVVKDIVIQRVTLASRHLDELNTFVEKNDEDHRFSNDIKQSRIEVKRLAGELFEELNLEKQLSQRPFDDELGYTEDGVGFKLHLRIKQSVDRFFEQSTAVSQRLSDDITRQLSSSESFLSGLGEGAFRSLGGAFKGVSKISPATLKTTI-LAARDTIGKLTGYVYTKLAGSIAKWAGPVGAAFTIGSDLWDAYK----------AHEREQELKEVKASLAKIIKEPFEDIYDVLSSDEKFAFFAPQIQQEQVVTELAEKSQAIRDNRQKLSLIQTQLAQLVPAT-------------------

4aurA

0.12

0.11

0.89

1.90

PPAS

WLGKVDDNISDE-------SSDRLSIYKPEGLPDQCEIVDTPGLFDGRLVYEDLTRRY-------------ISEAHLIFYVVDATNPLKESHSDIVKWVLRDLNKTIFVINKDEVTSLFDEQAAIKKANLKGKLQRAADLNIVCVASNPYESRSRINDLKNAATEILKTNVPEVLLVKTG-----DVVKDIVIQRVTLASRHLDELNTFVEKNDEDHRFSNDIKQSRIEVKRLAGELFEELNLEKQLSQLDDIRPFDDELGYTEDGVGFKLHLRIKQSVDRFFEQSTAVSQRLSDDITRQLSSSESFLSGLGEGAFRSLGGAFKGVSKISPATLKTTILA-ARDTIGKLTGYVYTKLAGSIAKWAGPVGAAFTIGSDLWDA----------YKAHEREQELKEVKASLAKIIKEPFEDIYDVLSSDEKFAFFAPQIQQEQVVTELAEKSQAIRDNRQKLSLIQTQLAQLVPAT-------------------

4aurA

0.11

0.10

0.96

1.39

Env-PPAS

ELGEGINISDDLQKVTSAIVLRIALLGKPEGLPDQCEIVDTPGLFDGRLVYEDLTRRY-------------ISEAHLIFYVVDATNPLKESHSDIVKWVLRDLNKTIFVINKDEVTSLFDEQAAIKKANLKGKLQRAADLTAQECEQLNIVCVASNPNGRGLTYWFTKPEHYESRSRINDLKNAATEILKTNVPEVLLVKTG-DVVKDIVIQRVTLASRHLDELNTFVEKNDEDHRFSNDIKQSRIEVKRLAGELFEELNLEKQLSQLRPLDLDDIRPFDDELGYTEDGVGFKLHLRIKQSVDRFFEQSTAVSQRLSDDITRQLSSSESFLSGLGEGAFRSLGGAFKGVSKISPATLKTTILAARDTIGKLTGYVYKFATKLAGSIAKWAGPVGAAFTIGSDLWDAYKAHEREQELKEVKASLAKIIKEPFEDIYDVLSSDEKFAFFAPQIQQEQVVTELAEKSQAIRDNRQKLSLIQTQLAQLVPAT----

5ic0A

0.10

0.09

0.90

1.03

MUSTER

---HMAPGQKECDNALRQLETVRELLENPVQPIND---------MSYFGCLDSVMENSKVLG----EAMTGISQN--------AKNGNLPEFGDAIATASKALCGF------------TEAAAQAAYLVGVSDPNSQAGQQGLVEPTQFARANQAIQMACQSLGECTQAQVLSAATIVAKHTSALCNSCRLASARTANPTAKRQFVQSAKEVANSTANLVKTIKALDGDFTEENRAQCRAATAPLLEAVDNLSAFASNPEFSSVPAQISPEGRAAMEPIVISAKTMLESAGGLIQTARALAVNPRDPPRWSVLAGHS------RTVSDSIKKLITSMRDKAPGQLECETAIAALNSCLRDLDQASLAAVSSQEALHTQMLTAVQEISHLIEPLASAARAEASQLGHKVSQMAQYFEPLTLAAVGAASHPQQMALLDQTKTLAESALQLLYTAKEAAAHTQEALEEAVQMMTEAVEDLTTTLNEAAS------

2j69A

0.11

0.97

0.92

dPPAS

TIDPAEAKKLEQEKKQAFPDVDYAVVEYPLTLQKGIEIVDSPGLNDTEARNELSLGY--------------VNNCHAILFVMRASQPCTLGERRYLENYIGRGLTVFFLVNAWDIDPDDVEELQASENRLRQVFQNIYDERVFELSPQADLDGTGFPKFMDSLNTFLTRERAIAELRQVRTLARLACNHTREAVARRIPLLENELKKRIDSVEPEFNKLTGIRDEFQKEIINTRDTQARTISESFRSYVLNLGNTFENDFLRYQEAFNAALQKAFEQYITDKSAAWTLTAEKDINAAFKELSRSASQYGASYNQITTEKLTGKDVEEDNSPGWAKWAMGLLSAGFDWKNILLNYFTVIGIGGIITAVTGILLGPIGFALLGLGVGFLQADQARRELVKTAKKELVKHLPQVAHEQSQVVYNAVKECFDSYEREVSKRINDDIVSRKSELDNLVKQKQTREINRESEFNRLKNLQEDVIAQLQKIEAAYSNLL

(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=-1.62

Estimated TM-score = 0.52±0.15

Estimated RMSD = 11.1±4.6Å

Download Model 2

C-score=-2.47

Download Model 3

C-score=-3.21

Download Model 4

C-score=-4.18

Download Model 5

C-score=-4.87

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	2j69A	0.869	3.07	0.114	0.965
2	4f4cA	0.411	5.95	0.041	0.567
3	4k0eA	0.385	7.60	0.055	0.652
4	3k07A	0.381	7.67	0.056	0.644
5	3v0aB	0.380	7.20	0.031	0.598
6	3vuoA	0.380	6.97	0.024	0.579
7	4zktB	0.380	6.97	0.023	0.587
8	3g61A1	0.379	4.98	0.028	0.486
9	4mt1A	0.373	7.73	0.050	0.642
10	3jbrA	0.373	7.45	0.030	0.620

(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	2z90A	FE2	Rep, Mult	193,197
2	0.06	3	1qpwB	OXY	Rep, Mult	293,297
3	0.04	2	3vh7E	MG	Rep, Mult	232,235
4	0.02	1	3gwzD	CA	Rep, Mult	114,117
5	0.02	1	2w6dA	GDP	Rep, Mult	257,259,261,262,277
6	0.02	1	2h7hA	NUC	Rep, Mult	212,213,216,220
7	0.02	1	2w6dB	CPL	Rep, Mult	263,370,373,374
8	0.02	1	4dyzA	CA	Rep, Mult	221,224,225
9	0.02	1	2ckjD	FES	Rep, Mult	21,22,23,41,47
10	0.02	1	2w6dA	CPL	Rep, Mult	260,271,272,275,279,350,351,352,353,354,355,357,358,361,365,369,372,393
11	0.02	1	2ckjC	FES	Rep, Mult	143,144,146,157,158,159,160
12	0.02	1	3tahA	MG	Rep, Mult	126,128
13	0.02	1	2b0qA	MG	Rep, Mult	92,114
14	0.02	1	2hcjB	TAC	Rep, Mult	23,24,40,41,42
15	0.02	1	1t0iA	FMN	Rep, Mult	78,114
16	0.02	1	1mt1E	AG2	Rep, Mult	88,92,95,106
17	0.02	1	3e27A	MG	Rep, Mult	114,133
18	0.02	1	2hcjB	GDP	Rep, Mult	111,112,114,115,146,147
19	0.02	1	2w6dA	CPL	Rep, Mult	370,372,373,374,375,376
20	0.02	1	2w6dB	CPL	Rep, Mult	260,261,277,278,280

	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	2np0A	0.351	7.16	0.031	0.555	3.4.24.69	NA
2	0.060	1w07B	0.330	7.56	0.051	0.547	1.3.3.6	NA
3	0.060	2vuaA	0.229	6.36	0.010	0.337	3.4.24.69	NA
4	0.060	1f60A	0.332	5.59	0.059	0.443	3.6.5.3	NA
5	0.060	1skqA	0.337	5.94	0.053	0.459	3.6.5.3	97
6	0.060	3g61A	0.353	6.75	0.061	0.535	3.6.3.44	NA
7	0.060	1ordA	0.345	6.63	0.031	0.512	4.1.1.17	NA
8	0.060	1ob2A	0.316	5.25	0.075	0.406	3.6.1.48	NA
9	0.060	3b9jI	0.127	5.05	0.032	0.167	1.17.1.4,1.17.3.2	84,144
10	0.060	2vycA	0.360	6.39	0.067	0.530	4.1.1.19	NA
11	0.060	3b9jJ	0.218	6.45	0.049	0.329	1.17.1.4,1.17.3.2	85,87
12	0.060	2pflA	0.323	7.01	0.050	0.496	2.3.1.54	164
13	0.060	1ozgA	0.329	6.79	0.071	0.496	2.2.1.6	NA
14	0.060	2fugU	0.346	7.32	0.049	0.571	1.6.99.5	111,130
15	0.060	2j5wA	0.330	7.56	0.064	0.549	1.16.3.1	NA
16	0.060	2fonB	0.321	7.74	0.049	0.549	1.3.3.6	NA
17	0.060	3b8cB	0.342	7.12	0.075	0.539	3.6.3.6	44,98,108
18	0.060	1etuA	0.239	2.87	0.101	0.266	3.6.5.3	NA
19	0.060	1mo7A	0.163	6.33	0.057	0.242	3.6.3.9	91

(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	0.24	0.799	3.76	0.10	0.93	2j68A	GO:0000166 GO:0003924 GO:0005525 GO:0005886 GO:0008289 GO:0016020 GO:0016021 GO:0016787
1	0.06	0.411	5.95	0.04	0.57	4f4cA	GO:0000166 GO:0005524 GO:0006810 GO:0006855 GO:0008559 GO:0010038 GO:0015562 GO:0016020 GO:0016021 GO:0016324 GO:0016787 GO:0016887 GO:0042626 GO:0042908 GO:0045087 GO:0050829 GO:0055085 GO:0093002
2	0.06	0.325	7.51	0.06	0.55	2iw3B	GO:0000166 GO:0001933 GO:0003723 GO:0003746 GO:0005524 GO:0005737 GO:0005840 GO:0006412 GO:0006414 GO:0006415 GO:0006469 GO:0010494 GO:0016887 GO:0019843 GO:0022626 GO:0042788
3	0.06	0.332	6.16	0.09	0.47	4aurA	GO:0005525
4	0.06	0.328	4.95	0.04	0.43	4bejB	GO:0000166 GO:0000266 GO:0001836 GO:0003374 GO:0003924 GO:0005525 GO:0005737 GO:0005739 GO:0005741 GO:0005777 GO:0005794 GO:0005829 GO:0005874 GO:0005903 GO:0005905 GO:0006897 GO:0006921 GO:0008289 GO:0010821 GO:0012501 GO:0012505 GO:0015630 GO:0016020 GO:0016559 GO:0016787 GO:0030054 GO:0030672 GO:0031410 GO:0031625 GO:0032459 GO:0042802 GO:0042803 GO:0043065 GO:0043231 GO:0043234 GO:0043653 GO:0045202 GO:0048471 GO:0050714 GO:0051289 GO:0060047 GO:0061025 GO:0070266 GO:0070584 GO:0070585 GO:0090141 GO:0090149 GO:0090200 GO:1900063 GO:1903146 GO:1903578 GO:2001244
5	0.06	0.268	7.76	0.03	0.45	4ry2A	GO:0005524 GO:0006508 GO:0006810 GO:0008233 GO:0008234 GO:0016020 GO:0016021 GO:0016887 GO:0022885 GO:0042626 GO:0043213 GO:0055085
6	0.06	0.346	6.67	0.05	0.52	4m1mA	GO:0000086 GO:0000166 GO:0002481 GO:0002485 GO:0002489 GO:0002591 GO:0005524 GO:0005886 GO:0006810 GO:0006855 GO:0008559 GO:0009986 GO:0015893 GO:0016020 GO:0016021 GO:0016787 GO:0016887 GO:0042623 GO:0042626 GO:0042908 GO:0046581 GO:0055085 GO:0070062 GO:0072089
7	0.06	0.313	4.66	0.07	0.40	3w6nB	GO:0000166 GO:0000266 GO:0001836 GO:0003374 GO:0003924 GO:0005525 GO:0005737 GO:0005739 GO:0005741 GO:0005777 GO:0005794 GO:0005829 GO:0005874 GO:0005903 GO:0005905 GO:0006897 GO:0006921 GO:0008289 GO:0010821 GO:0012501 GO:0012505 GO:0015630 GO:0016020 GO:0016559 GO:0016787 GO:0030054 GO:0030672 GO:0031410 GO:0031625 GO:0032459 GO:0042802 GO:0042803 GO:0043065 GO:0043231 GO:0043234 GO:0043653 GO:0045202 GO:0048471 GO:0050714 GO:0051289 GO:0060047 GO:0061025 GO:0070266 GO:0070584 GO:0070585 GO:0090141 GO:0090149 GO:0090200 GO:1900063 GO:1903146 GO:1903578 GO:2001244
8	0.06	0.294	7.05	0.05	0.46	5do7D	GO:0005524 GO:0005886 GO:0006810 GO:0007584 GO:0007588 GO:0010949 GO:0015248 GO:0015914 GO:0015918 GO:0016020 GO:0016021 GO:0016324 GO:0016887 GO:0017127 GO:0030299 GO:0033344 GO:0042493 GO:0042626 GO:0042632 GO:0043190 GO:0043235 GO:0045796 GO:0046982 GO:0055085 GO:0055092
9	0.06	0.303	6.71	0.05	0.46	4a82A	GO:0000166 GO:0005524 GO:0005886 GO:0006810 GO:0016020 GO:0016021 GO:0016787 GO:0016887 GO:0042626 GO:0055085
10	0.06	0.298	6.74	0.04	0.45	5c73A	GO:0000166 GO:0005524 GO:0006810 GO:0016021 GO:0016887 GO:0042626 GO:0055085
11	0.06	0.292	6.27	0.03	0.42	3b5xA	GO:0000166 GO:0005319 GO:0005524 GO:0005886 GO:0006810 GO:0006869 GO:0016020 GO:0016021 GO:0016787 GO:0016887 GO:0034040 GO:0042626 GO:0043190 GO:0055085
12	0.06	0.270	6.78	0.05	0.41	4ayxA	GO:0000166 GO:0005215 GO:0005524 GO:0005739 GO:0005743 GO:0006810 GO:0016020 GO:0016021 GO:0016887 GO:0032592 GO:0042626 GO:0042803 GO:0055085
13	0.06	0.281	6.96	0.06	0.44	4q4aA	GO:0000166 GO:0005524 GO:0006810 GO:0006869 GO:0016020 GO:0016021 GO:0016887 GO:0034040 GO:0042626 GO:0046872 GO:0055085
14	0.06	0.295	6.59	0.04	0.45	4pl0B	GO:0000166 GO:0005524 GO:0005886 GO:0006810 GO:0015031 GO:0016020 GO:0016021 GO:0016887 GO:0030153 GO:0042626 GO:0043213 GO:0055085
15	0.06	0.265	6.81	0.04	0.40	3wmgA	GO:0000166 GO:0005524 GO:0006810 GO:0016020 GO:0016021 GO:0016887 GO:0042626 GO:0055085
16	0.06	0.279	7.05	0.07	0.44	3qf4B	GO:0000166 GO:0005524 GO:0005886 GO:0006810 GO:0016020 GO:0016021 GO:0016887 GO:0042626 GO:0055085
17	0.06	0.257	7.82	0.05	0.44	3ux8A	GO:0000166 GO:0003677 GO:0003824 GO:0004518 GO:0005524 GO:0005737 GO:0006281 GO:0006289 GO:0006974 GO:0008270 GO:0009380 GO:0009381 GO:0009432 GO:0016887 GO:0046872 GO:0090305
18	0.06	0.295	7.05	0.06	0.46	5do7A	GO:0000166 GO:0005524 GO:0005886 GO:0006810 GO:0007584 GO:0007588 GO:0010212 GO:0010949 GO:0015918 GO:0016020 GO:0016021 GO:0016324 GO:0016887 GO:0017127 GO:0030299 GO:0033344 GO:0042493 GO:0042626 GO:0042632 GO:0043190 GO:0043235 GO:0045177 GO:0045796 GO:0046982 GO:0055085

Consensus prediction of GO terms

Molecular Function	GO:0017111	GO:0005525
GO-Score	0.57	0.33
Biological Processes	GO:0050829	GO:0010038	GO:0042908	GO:0006855	GO:0093002	GO:0045087	GO:0090149	GO:2001244	GO:1900063	GO:0006897	GO:0070585	GO:0006469	GO:0050714	GO:0060047	GO:0070266	GO:1903146	GO:0006921	GO:0061025	GO:0090141	GO:0043653	GO:0051289	GO:0006414	GO:0032459	GO:0006415	GO:1903578	GO:0016559	GO:0003374	GO:0090200	GO:0070584
GO-Score	0.07	0.07	0.07	0.07	0.07	0.07	0.06	0.06	0.06	0.06	0.06	0.06	0.06	0.06	0.06	0.06	0.06	0.06	0.06	0.06	0.06	0.06	0.06	0.06	0.06	0.06	0.06	0.06	0.06
Cellular Component	GO:0071944	GO:0031224
GO-Score	0.48	0.46

(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.