I-TASSER results

I-TASSER results for job id Rv3645

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

Input Sequence in FASTA format

>protein (549 residues)
MDAEAFVGFRQVPAARYGGLMATTAALPRRIHAFVRWVVRTPWPLFSLSMLQSDIIGALF
VLGFLRYGLPPQDNIQLQDLPPVNLLIFVSTVIILFLAGAVVNLKLLMPVFRWQRRDNLL
TEPDPAATELARSRALRMPLYRTLISLAVWATGGGVFILASWSVAKHAAPVVAVATALGA
TATAIIGYLQSERVLRPVAVAALRSGVPENVNAPGVILRLMLAWIPSTGVPLLAIVLAVA
ADKIALLHATPEALFNPILMMALAALGIGSVSTLLVAMSIADPLRQLRWALSEVQRGNYN
AHMQIYDASELGLLQAGFNDMVRELSERQRLRDLFGRYVGEDVARRALERGTELGGQERD
VAVLFVDLVGSTQLAATRPPAEVVQLLNEFFRVVVETVARHGGFVNKFQGDAALAIFGAP
IEHPDGAGAALSAARELHDELIPVLGSAEFGIGVSAGRAIAGHIGAQARFEYTVIGDPVN
EAARLTELAKLEDGHVLASAIAVSGALDAEALCWDVGEVVELRGRAAPTQLARPMNLAAP
EEVSSEVRG

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MDAEAFVGFRQVPAARYGGLMATTAALPRRIHAFVRWVVRTPWPLFSLSMLQSDIIGALFVLGFLRYGLPPQDNIQLQDLPPVNLLIFVSTVIILFLAGAVVNLKLLMPVFRWQRRDNLLTEPDPAATELARSRALRMPLYRTLISLAVWATGGGVFILASWSVAKHAAPVVAVATALGATATAIIGYLQSERVLRPVAVAALRSGVPENVNAPGVILRLMLAWIPSTGVPLLAIVLAVAADKIALLHATPEALFNPILMMALAALGIGSVSTLLVAMSIADPLRQLRWALSEVQRGNYNAHMQIYDASELGLLQAGFNDMVRELSERQRLRDLFGRYVGEDVARRALERGTELGGQERDVAVLFVDLVGSTQLAATRPPAEVVQLLNEFFRVVVETVARHGGFVNKFQGDAALAIFGAPIEHPDGAGAALSAARELHDELIPVLGSAEFGIGVSAGRAIAGHIGAQARFEYTVIGDPVNEAARLTELAKLEDGHVLASAIAVSGALDAEALCWDVGEVVELRGRAAPTQLARPMNLAAPEEVSSEVRG
Prediction	CCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCEEEEEHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHCCCCCCCEEEEEEEEEEHCCCHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHCCEEEEEHCCEEEEHCCCCCCCCHHHHHHHHHHHHHHHHHHHHCCCEEEEEEEEEEEEEEEEHCCCCCCEEEEHCHHHHHHHHHHHHHCCCCCEEEHCHHHHHHHCCCCCEEEEHCCEEEHCCCCCCEEEEEHCCCCCCHHHHHHHCC
Conf.Score	985556677888887777545788888665667666444676458999999999999999999999856888765566654688999999999999999999999987888887747888887766648999999998999999999999999999999986567578999999999999999999999988777777888764688776555654466777877667789999999999999987556657899999999999999999999999999999999999999998868864556544468999999999999999999999999999658999999999889878986889999998647856887569999999999999999999999989889866455899975999889859999999999999999997888588889875658998768999756788756778999999985667997998799999866778779998657998588875899998599987567776569
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MDAEAFVGFRQVPAARYGGLMATTAALPRRIHAFVRWVVRTPWPLFSLSMLQSDIIGALFVLGFLRYGLPPQDNIQLQDLPPVNLLIFVSTVIILFLAGAVVNLKLLMPVFRWQRRDNLLTEPDPAATELARSRALRMPLYRTLISLAVWATGGGVFILASWSVAKHAAPVVAVATALGATATAIIGYLQSERVLRPVAVAALRSGVPENVNAPGVILRLMLAWIPSTGVPLLAIVLAVAADKIALLHATPEALFNPILMMALAALGIGSVSTLLVAMSIADPLRQLRWALSEVQRGNYNAHMQIYDASELGLLQAGFNDMVRELSERQRLRDLFGRYVGEDVARRALERGTELGGQERDVAVLFVDLVGSTQLAATRPPAEVVQLLNEFFRVVVETVARHGGFVNKFQGDAALAIFGAPIEHPDGAGAALSAARELHDELIPVLGSAEFGIGVSAGRAIAGHIGAQARFEYTVIGDPVNEAARLTELAKLEDGHVLASAIAVSGALDAEALCWDVGEVVELRGRAAPTQLARPMNLAAPEEVSSEVRG
Prediction	741541142452423200000024434342011001100413000000000100110000021010000013321324402000000000110101211111000000000101235541454543234301310010001000100011130010000000011220000001000100110000010100100000000002322343131210101000000001311110000000021012122223200100101021112212220220000003003300300232232202120321224102301400220033222141035004410145005203746562464321000000000000300171404200400230042004003626011100100000000000253650022003001300510471254010000000000000001063201000001000000000120562602000022005204743202033144040232630030020142543753556368
	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

CCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCEEEEEHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHCCCCCCCEEEEEEEEEEHCCCHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHCCEEEEEHCCEEEEHCCCCCCCCHHHHHHHHHHHHHHHHHHHHCCCEEEEEEEEEEEEEEEEHCCCCCCEEEEHCHHHHHHHHHHHHHCCCCCEEEHCHHHHHHHCCCCCEEEEHCCEEEHCCCCCCEEEEEHCCCCCCHHHHHHHCC
MDAEAFVGFRQVPAARYGGLMATTAALPRRIHAFVRWVVRTPWPLFSLSMLQSDIIGALFVLGFLRYGLPPQDNIQLQDLPPVNLLIFVSTVIILFLAGAVVNLKLLMPVFRWQRRDNLLTEPDPAATELARSRALRMPLYRTLISLAVWATGGGVFILASWSVAKHAAPVVAVATALGATATAIIGYLQSERVLRPVAVAALRSGVPENVNAPGVILRLMLAWIPSTGVPLLAIVLAVAADKIALLHATPEALFNPILMMALAALGIGSVSTLLVAMSIADPLRQLRWALSEVQRGNYNAHMQIYDASELGLLQAGFNDMVRELSERQRLRDLFGRYVGEDVARRALERGTELGGQERDVAVLFVDLVGSTQLAATRPPAEVVQLLNEFFRVVVETVARHGGFVNKFQGDAALAIFGAPIEHPDGAGAALSAARELHDELIPVLGSAEFGIGVSAGRAIAGHIGAQARFEYTVIGDPVNEAARLTELAKLEDGHVLASAIAVSGALDAEALCWDVGEVVELRGRAAPTQLARPMNLAAPEEVSSEVRG

4yusA

0.19

0.11

0.60

1.52

MUSTER

--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MKRLTYISKFS---RPLSGDEIEAIGRISSQKNQQANVTGVLLCLDGIFFQILEGEAEKIDRIYERILADERHTDIL------------CLKSEVEVQERMFPDWSMQTINLDE----NTDFLIRPIKVLLQTLTESHRILEKYTQPSIFKIISQGTNNIRPKAVEKIVFFSDIVSFSTFAEKLPVEEVVSVVNSYFSVCTAIITRQGGEVTKFIGDCVMAYFDGD-----CADQAIQASLDILMELEILRRVLYSGIGLAKGKVIEGNIGSELKRDYTILGDAVNVAARLEALTRQLSQALVFSSEVKNSATKS--WNFIWLTDSELKGKSESIDIYSIDNTRKSSGGLEIARN

4clfA

0.16

0.13

0.80

1.50

MUSTER

MNTPK-EEFQDWPIVRIAAHLP---------DLIVYGHFSPERPFFDGVLMFVDISGFTAMTEKFSSA--------MYMDRGAEQLVEILNYHISAIVEKVLIFGGDI-AL-W--------RVERKQLKNIITVVIKCSLEIHGLF------------------ETDIRVKIGLAAISMLVF-THSHFLVIGQAVDDVRLAQNMAQMND----------------------------VILSPNCWQLCDRSMIEIESVPDQRAVKVNFLKPPPNFNFDEFFTKCTTFMHYYPSGEHKNLLRLATLKPD--------------------PELEMSLQKYVMESILKQIDNKLQGYLSELRPVTIVFVNLMFEDQ----DKAEEIGPAIQDAYMHITSVLKIFQGQINKVFMCSFLCVFGFPEKVPDELTHALECAMDIFDFCSQVHKIQTVSIGVASGIVFCGIVGHTVRHEYTVIGQKVNLAARMMMYYP---GIVTCDSVTYNGS-NLPAYFFKELPKKVMKGVADSGPLYQYWGRTEK---------

4yusA

0.18

0.10

0.56

1.28

dPPAS

-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MKRLTYISKFSRPLSGDEIEAIGRISSQKNQQANVTGVLLFFQILEGEAEKIDRIYERILADERHTDILCLKSNLDENTDFLIRPIKVLLQTLTESHRILEKYTQPSIFKIISQGTNNIRPKAVEKIVFFSDIVSFSTFAEKLPVEEVVSVVNSYFSVCTAIITRQGGEVTKFIGDCVMAYFDGD-----CADQAIQASLDILMELEILRRVLYSGIGLAKGKVIEGNIGSELKRDYTILGDAVNVAARLEALTRQLSQALVFSSEVKNSATKSWN--FIWLTDSELKGKSESIDIYSIDNEMTRKSSGGLEIA

4clfA

0.18

0.14

0.78

1.90

wMUSTER

TPKEEFQDWPIVRIAAHPDLIVYGHFSPERPFMDYFDG----------VLMFVDISGFTAMTEKFS---------AMYMDRGAEQLVEILNYHISAIVEKVLIF-----AL-W--------RVERKQLKNIITVVIKCSLEIHGLF------------------ETDIRVKIGLAA---GHISMLV----SHFLVQAVDDVRLAQNM---AQMNDVILSPNCWQLCDRSMIEIESVPDQRAVKVNFLKPPPNFN----------------------FDEFFTKCTTFMHYYPSGEHKNLLRLATLKPD--------------------PELEMSLQKYVMESILKQIDNKLQGYLSELRPVTIVFVNLMFEDQ----DKAEEIGPAIQDAYMHITSVLKIFQGQINKVF-CSFLCVFGFPEKVPDELTHALECAMDIFDFCSQVHKIQTVSIGVASGIVFCGIVGHTVRHEYTVIGQKVNLAARMMMYYP---GIVTCDSVTYNGS-NLPAYFFKELPKKVMKGVADSGPLYQYWGRTEK---------

4yusA

0.20

0.12

0.58

3.44

wdPPAS

------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MKRLTYISKFSRPLSGDEIEAIGRISSQKNQQAN---------VTGVLLCLDGIFFQILEAEKIDRIYERILADERHTDQERMFPDWSMQTINLDENTDFLIRPIKVLLQTLTESHRILEKYTQPSIFKIISQGTNNIRPKAVEKIVFFSDIVSFSTFAEKLPVEEVVSVVNSYFSVCTAIITRQGGEVTKFIGDCVMAYFDGD-----CADQAIQASLDILMELEILRRVLYSGIGLAKGKVIEGNIGSELKRDYTILGDAVNVAARLEALTRQLSQALVFSSEVKNSATK--SWNFIWLTDSELKGKSESIDIYSIDNEMTRSGGLEIARN

4yusA

0.19

0.12

0.60

2.13

wMUSTER

--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MKRLTYIS-KFSRPLSGDEIEAIGRISSQKNQQANV--TGVLLCLDGIFFQILEGEAEKIDRIYERILADERHTDIL------------CLKSEVEVQERMFPDWSMQTINLDEN----TDFLIRPIKVLLQTLTESHRILEKYTQPSIFKIISQGTNNIRPKAVEKIVFFSDIVSFSTFAEKLPVEEVVSVVNSYFSVCTAIITRQGGEVTKFIGDCVMAYFDGD-----CADQAIQASLDILMELEILRRVLYSGIGLAKGKVIEGNIGSELKRDYTILGDAVNVAARLEALTRQLSQALVFSSEVKNSATKS--WNFIWLTDSELKGKSESIDIYSIDNTRKSSGGLEIARN

4yusA

0.20

0.11

0.58

3.85

wPPAS

------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MKR--LTYISKFSRPLSGDEIEAIGRISSQK---NQQANVTGVLLCLDGIFFQIL-----AEKIDRIYERILADERHTDQERMFPDWSMQTINLDENTDFLIRPIKVLLQTLTESHRILEKYTQPSIFKIISQGTNNIRPKAVEKIVFFSDIVSFSTFAEKLPVEEVVSVVNSYFSVCTAIITRQGGEVTKFIGDCVMAYFDGD-----CADQAIQASLDILMELEILRRVLYSGIGLAKGKVIEGNIGSELKRDYTILGDAVNVAARLEALTRQLSQALVFSSEVKNSATK--SWNFIWLTDSELKGKSESIDIYSIDNEMTRSGGLEIARN

4yusA

0.18

0.10

0.56

2.56

dPPAS2

-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MKRLTYISKFSRPLSGDEIEAIGRISSQKNQQANVTGVLLFFQILEGEAEKIDRIYERILADERHTDILCLKSNLDENTDFLIRPIKVLLQTLTESHRILEKYTQPSIFKIISQGTNNIRPKAVEKIVFFSDIVSFSTFAEKLPVEEVVSVVNSYFSVCTAIITRQGGEVTKFIGDCVMAYFDGD-----CADQAIQASLDILMELEILRRVLYSGIGLAKGKVIEGNIGSELKRDYTILGDAVNVAARLEALTRQLSQALVFSSEVKNSAT--KSWNFIWLTDSELKGKSESIDIYSIDNEMTRKSSGGLEIA

4yusA

0.18

0.10

0.56

3.04

PPAS

---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MKRLTYISKFSRPLSGDEIEAIGRISSQKNQQLCLDGIFFQILEGEAEKIDRIYERILADERHTDILCLKINLDENTDFLIRPIKVLLQTLTESHRILEKYTQPSIFKIISQGTNNIRPKAVEKIVFFSDIVSFSTFAEKLPVEEVVSVVNSYFSVCTAIITRQGGEVTKFIGDCVMAYFDGD-----CADQAIQASLDILMELEILRRVLYSGIGLAKGKVIEGNIGSELKRDYTILGDAVNVAARLEALTRQLSQALVFSSEVKNSAT--KSWNFIWLTDSELKGKSESIDIYSIDNEMTRSGGLEIARN

4yusA

0.20

0.12

0.60

4.45

Env-PPAS

--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MKRLTYI--SKFSRPLSGDEIE-----------AIGRISSQKNQQANV--TGVLLCLDGIFFQILEGEAEKIDRIYERILAD------------ERHTDILCLKSEVEVQERMFPDWSMQTINLDE----NTDFLIRPIKVLLQTLTESHRILEKYTQPSIFKIISQGTNPIRPKAVEKIVFFSDIVSFSTFAEKLPVEEVVSVVNSYFSVCTAIITRQGGEVTKFIGDCVMAYFDGD-----CADQAIQASLDILMELEILRRVLYSGIGLAKGKVIEGNIGSELKRDYTILGDAVNVAARLEALTRQLSQALVFSSEVKNSAT--KSWNFIWLTDSELKGKSESIDIYSIDNEMTRKSSGGLEIA

(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=-0.97

Estimated TM-score = 0.59±0.14

Estimated RMSD = 9.8±4.6Å

Download Model 2

C-score=-3.11

Download Model 3

C-score=-1.62

Download Model 4

C-score=-1.94

Download Model 5

C-score=-2.18

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	4clfA	0.736	2.65	0.141	0.787
2	4uw2A	0.397	6.20	0.063	0.563
3	4yusA	0.382	2.78	0.176	0.417
4	2yevA	0.377	6.63	0.071	0.554
5	4w8yA	0.368	6.85	0.058	0.552
6	1t3tA	0.363	7.67	0.052	0.596
7	5a22A	0.348	7.47	0.040	0.554
8	1y11A	0.347	4.31	0.176	0.410
9	4lglA	0.345	7.36	0.058	0.548
10	3ungC	0.343	6.70	0.101	0.503

(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	0.22	14	1wc0A	APC	Rep, Mult	365,407,414,473,474,475,479,480,483,484,523
2	0.17	10	1y10B	CA	Rep, Mult	367,368,369,411
3	0.08	6	1wc0B	APC	Rep, Mult	367,368,369,370,371,372,409,410,411
4	0.07	5	4cm0A	APC	Rep, Mult	54,55,56,57,58,59,170,409,474,479,480,483,484,524
5	0.04	3	1wc6A	MG	Rep, Mult	367,409,411,412
6	0.01	1	2ckjD	FES	Rep, Mult	454,455,456,476,477,478,481,483
7	0.01	1	2ckjA	FES	Rep, Mult	453,454,483,484,485,486
8	0.01	1	3eubS	FES	Rep, Mult	457,458,459,475,476,477,478
9	0.01	1	2bw7A	ECS	Rep, Mult	365,367,409,412,480,483,484,486,487

	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	0.130	1y11A	0.347	4.31	0.176	0.410	4.6.1.1	484
2	0.060	3fg3A	0.236	7.54	0.044	0.379	4.2.1.92,1.13.11.40	NA
3	0.060	3b9jI	0.144	5.27	0.061	0.191	1.17.1.4,1.17.3.2	189,374,408,450
4	0.060	1ahuA	0.323	6.85	0.055	0.490	1.1.3.38,1.1.3.13	NA
5	0.060	2vdcF	0.335	7.48	0.039	0.545	1.4.1.13	NA
6	0.060	2qllA	0.320	7.55	0.031	0.514	2.4.1.1	NA
7	0.060	2b3xA	0.335	8.02	0.032	0.559	4.2.1.3	NA
8	0.060	1kqfA	0.321	7.73	0.045	0.528	1.2.1.2	NA
9	0.060	3gpbA	0.318	7.29	0.050	0.497	2.4.1.1	529
10	0.060	3hhsB	0.319	7.62	0.037	0.517	1.14.18.1	299
11	0.060	1t3tA	0.363	7.67	0.052	0.596	6.3.5.3	22
12	0.060	3h09B	0.332	7.85	0.041	0.557	3.4.21.72	NA
13	0.060	2e1qA	0.335	7.07	0.043	0.523	1.17.3.2,1.17.1.4	NA
14	0.060	3dy5A	0.324	7.15	0.039	0.503	1.13.11.40,4.2.1.92	NA
15	0.060	3cf4A	0.319	7.80	0.051	0.525	1.2.99.2	417
16	0.060	2vdcA	0.335	7.40	0.043	0.537	1.4.1.13	NA
17	0.060	1l5jA	0.320	7.43	0.060	0.508	4.2.1.3	483
18	0.060	2ckjA	0.309	7.86	0.029	0.517	1.17.1.4,1.17.3.2	435
19	0.060	3b9jC	0.256	7.48	0.044	0.410	1.17.3.2,1.17.1.4	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	0.31	0.307	2.64	0.29	0.33	1wc4A	GO:0000155 GO:0000160 GO:0004016 GO:0005622 GO:0006171 GO:0007165 GO:0009190 GO:0016310 GO:0016772 GO:0016829 GO:0016849 GO:0018298 GO:0023014 GO:0035556 GO:0046872
1	0.27	0.739	2.94	0.15	0.80	4oyzA	GO:0000166 GO:0000287 GO:0003351 GO:0004016 GO:0005524 GO:0005634 GO:0005737 GO:0005739 GO:0005829 GO:0005856 GO:0005886 GO:0005929 GO:0006171 GO:0007283 GO:0009190 GO:0015630 GO:0016020 GO:0016829 GO:0016849 GO:0030145 GO:0030424 GO:0030425 GO:0030426 GO:0031514 GO:0035556 GO:0042995 GO:0043025 GO:0043065 GO:0045177 GO:0045178 GO:0046872 GO:0048471 GO:0051117 GO:0071241 GO:0071890
2	0.23	0.384	2.59	0.18	0.42	4yutA	GO:0005622 GO:0009190 GO:0009785 GO:0009882 GO:0016849 GO:0035556 GO:0071949
3	0.18	0.298	3.19	0.23	0.33	4p2fA	GO:0000166 GO:0000287 GO:0004016 GO:0005524 GO:0005622 GO:0005886 GO:0006171 GO:0007165 GO:0009190 GO:0016020 GO:0016021 GO:0016829 GO:0016849 GO:0030145 GO:0035556 GO:0046872
4	0.17	0.308	2.34	0.26	0.33	3r5gB	GO:0004016 GO:0005622 GO:0005886 GO:0006171 GO:0007165 GO:0009190 GO:0009405 GO:0016020 GO:0016021 GO:0016849 GO:0035556
5	0.17	0.309	2.63	0.29	0.34	2w01A	GO:0004016 GO:0005622 GO:0005886 GO:0006171 GO:0007165 GO:0009190 GO:0016020 GO:0016021 GO:0016849 GO:0035556
6	0.14	0.302	2.50	0.23	0.33	3et6A	GO:0000166 GO:0004016 GO:0004383 GO:0005886 GO:0006182 GO:0007165 GO:0008074 GO:0009190 GO:0016829 GO:0016849 GO:0020037 GO:0035556
7	0.14	0.299	2.96	0.20	0.33	1azsA	GO:0000166 GO:0004016 GO:0005524 GO:0005622 GO:0005886 GO:0005929 GO:0006171 GO:0007189 GO:0007193 GO:0007204 GO:0009190 GO:0016020 GO:0016021 GO:0016829 GO:0016849 GO:0019933 GO:0035556 GO:0042995 GO:0046872 GO:0061178 GO:0072372 GO:1904322
8	0.12	0.309	2.38	0.20	0.33	4ni2B	GO:0000166 GO:0004016 GO:0004383 GO:0004872 GO:0005525 GO:0005737 GO:0005886 GO:0006182 GO:0007263 GO:0008015 GO:0008074 GO:0009190 GO:0016829 GO:0016849 GO:0020037 GO:0035556 GO:0038060 GO:0043231 GO:0046872 GO:0071732
9	0.11	0.279	2.63	0.22	0.30	3mr7A	GO:0005622 GO:0009190 GO:0016787 GO:0016849 GO:0035556
10	0.06	0.368	6.85	0.06	0.55	4w8yA	GO:0000166 GO:0003723 GO:0005737 GO:0046872 GO:0051607
11	0.06	0.334	6.91	0.07	0.50	3w2wA	GO:0000166 GO:0003723 GO:0005737 GO:0046872 GO:0051607
12	0.06	0.339	6.64	0.09	0.49	3x1lA	GO:0000166 GO:0003723 GO:0005737 GO:0046872 GO:0051607
13	0.06	0.359	6.72	0.09	0.53	4dozA	GO:0000166 GO:0003723 GO:0005737 GO:0046872 GO:0051607
14	0.06	0.291	6.59	0.05	0.43	1e3dB	GO:0008901 GO:0016151 GO:0016491 GO:0046872 GO:0055114
15	0.06	0.273	3.53	0.24	0.31	4wp3C	GO:0004016 GO:0005622 GO:0006171 GO:0009190 GO:0016829 GO:0016849 GO:0035556
16	0.06	0.245	6.68	0.06	0.36	3wfoB	GO:0000166 GO:0003723 GO:0005524 GO:0006396 GO:0016740 GO:0016779
17	0.06	0.208	7.46	0.06	0.34	4hh0A	GO:0000166 GO:0009785 GO:0009882 GO:0071949
18	0.06	0.220	6.91	0.04	0.34	4lv8A	GO:0000166 GO:0004672 GO:0005524 GO:0006468

Consensus prediction of GO terms

Molecular Function	GO:0004016	GO:0019899	GO:0043168	GO:0050660	GO:0009881	GO:0000287	GO:0005524	GO:0030145	GO:0000155
GO-Score	0.66	0.54	0.54	0.45	0.45	0.41	0.41	0.41	0.31
Biological Processes	GO:0006171	GO:0043068	GO:0003341	GO:0048232	GO:0070887	GO:0042981	GO:0010035	GO:0071483	GO:0030522	GO:0018298	GO:0000160	GO:0023014
GO-Score	0.66	0.54	0.54	0.54	0.54	0.54	0.54	0.45	0.45	0.31	0.31	0.31
Cellular Component	GO:0036477	GO:0044463	GO:0044444	GO:0043231	GO:0044297	GO:0043232	GO:0005929	GO:0043005	GO:0030427	GO:0005886	GO:0016021
GO-Score	0.54	0.54	0.54	0.54	0.54	0.54	0.54	0.54	0.54	0.51	0.33

(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.