I-TASSER results

I-TASSER results for job id Rv1084

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

Input Sequence in FASTA format

>protein (673 residues)
MSPANPSGTNTLALATSPYLRQHADNPVHWQQWTPQALAEAAARAVPILLSVGYAACHWC
HVMAHESFDDDEVAAAMNAGFVCIKVDREERPDIDAVYMNATVALTGQGGWPMTCFLTPN
GRPFFCGTYYPKAAFLQLLSAISETWRERRAEVEQASDHIAAELRSMASGLPGGGPEVAP
ELCDDAVAGVLREQDTAHGGFGGAPKFPPSALLEALMRHYERTRSPAALEAVARTGNAMA
RGGIYDQLGGGFARYSVDGAWVVPHFEKMLYDNALLLRAYAHWARRTGDPLARRVAAQTA
RFLLDELGSKAPADMFTSSLDADADGREGSTYVWTPVQLTEVLGGDDGRWAAEVFGVTEA
GTFEHGTSVLQLPADPDDAARLDRVRAALLVARLARAQPARDDKVVTSWNGLAITALAEA
SVALDDPALAHAARRCATRLLDLHVVDGRLRRASLGGVVGDSAAILEDHAMLATGLLALY
QLTSEGAWLTAATGLLDTAVAHFGDPQRPGRWFDTADDAERLMLRPSDPLDGATPSGASS
IAEALLTAGHVVDGARAERYWQLAADTLRAHAVLLARAPRSAGHWLAVAEAVVRGPLQIA
VACDLPRSSLLADARRLAPGGAIVVGGAAGSSALLVGRDRVAGADAAYVCRGRVCDLPVT
SAAELATALGVPG

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 540 560 580 600 620 640 660 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MSPANPSGTNTLALATSPYLRQHADNPVHWQQWTPQALAEAAARAVPILLSVGYAACHWCHVMAHESFDDDEVAAAMNAGFVCIKVDREERPDIDAVYMNATVALTGQGGWPMTCFLTPNGRPFFCGTYYPKAAFLQLLSAISETWRERRAEVEQASDHIAAELRSMASGLPGGGPEVAPELCDDAVAGVLREQDTAHGGFGGAPKFPPSALLEALMRHYERTRSPAALEAVARTGNAMARGGIYDQLGGGFARYSVDGAWVVPHFEKMLYDNALLLRAYAHWARRTGDPLARRVAAQTARFLLDELGSKAPADMFTSSLDADADGREGSTYVWTPVQLTEVLGGDDGRWAAEVFGVTEAGTFEHGTSVLQLPADPDDAARLDRVRAALLVARLARAQPARDDKVVTSWNGLAITALAEASVALDDPALAHAARRCATRLLDLHVVDGRLRRASLGGVVGDSAAILEDHAMLATGLLALYQLTSEGAWLTAATGLLDTAVAHFGDPQRPGRWFDTADDAERLMLRPSDPLDGATPSGASSIAEALLTAGHVVDGARAERYWQLAADTLRAHAVLLARAPRSAGHWLAVAEAVVRGPLQIAVACDLPRSSLLADARRLAPGGAIVVGGAAGSSALLVGRDRVAGADAAYVCRGRVCDLPVTSAAELATALGVPG
Prediction	CCCCCCCCCCCCCCCCCHHHHHHHCCCCCCCCCHHHHHHHHHHHCCCEEEEEHCCCCHHHHHHHHHHCCCHHHHHHHHHHCEEEEHCCCCCCHHHHHHHHHHHHHHCCCCCCEEEEHCCCCCEEEEHCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCHHHHHHHHHHHHHHHCHCCCCCCCCCCCCCHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHCCCCCCCCCEEEEEHCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCEEEHCCHHHHHHHCCHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHCCCCCCCCEEEHCCHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHCCCEEEEEHCCCCCCCCCCCHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHCCCCCCCCEHCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHCHHHHHHHHHHHHHHHHCCEEEEEHCCCHHHHHHHHHHHCCCCCEEEHCCCCCCCHHHHCCCCCCCCEEEEEHCCCEHCCCCCCHHHHHHHHHCCC
Conf.Score	9988998887656699989999755998887785999999999899799999868766788989886689999999998654577668878679999999999986899997489988999878875668968999999999999999899999999999999999875677777888899999999999998655579999999999979999999999997999999999999999999798766568677788689999876445677799999999999999899999999999999999985788889864445567888877746767899999987988999999998999899888987655688998999999999999999999799998888589845589999999999998999999999999999999964489799898499888887645789999999999999989999999999999999999777889975665889887655556788888877779999999999999989875689999999999999999998567999999999999859879999779858999999997789859998589888667756888899759999669866799999999999985679
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 540 560 580 600 620 640 660 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MSPANPSGTNTLALATSPYLRQHADNPVHWQQWTPQALAEAAARAVPILLSVGYAACHWCHVMAHESFDDDEVAAAMNAGFVCIKVDREERPDIDAVYMNATVALTGQGGWPMTCFLTPNGRPFFCGTYYPKAAFLQLLSAISETWRERRAEVEQASDHIAAELRSMASGLPGGGPEVAPELCDDAVAGVLREQDTAHGGFGGAPKFPPSALLEALMRHYERTRSPAALEAVARTGNAMARGGIYDQLGGGFARYSVDGAWVVPHFEKMLYDNALLLRAYAHWARRTGDPLARRVAAQTARFLLDELGSKAPADMFTSSLDADADGREGSTYVWTPVQLTEVLGGDDGRWAAEVFGVTEAGTFEHGTSVLQLPADPDDAARLDRVRAALLVARLARAQPARDDKVVTSWNGLAITALAEASVALDDPALAHAARRCATRLLDLHVVDGRLRRASLGGVVGDSAAILEDHAMLATGLLALYQLTSEGAWLTAATGLLDTAVAHFGDPQRPGRWFDTADDAERLMLRPSDPLDGATPSGASSIAEALLTAGHVVDGARAERYWQLAADTLRAHAVLLARAPRSAGHWLAVAEAVVRGPLQIAVACDLPRSSLLADARRLAPGGAIVVGGAAGSSALLVGRDRVAGADAAYVCRGRVCDLPVTSAAELATALGVPG
Prediction	5457635230303624121022005100302412650252037460000000001001002213542052630151035200002022553450352024102232320000000000140100000010237202400520261056325403620540152035225334254421232003300310131023521112311000000000000000212634201300230031003000000010000000014613202111000000000100010021043520230022003001210314332000000211434333000000026103600365003001300403530102311100222442512320440142015105634413213200000000000000100200426400500250041016201552100000130442512000000000000000001002355005102400420162010454120001026424400222241212011000000000001002002454354015103400520041034101000000000011132111010115442310120022201100000023654331155153264200000014220321043053027207668
	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                 560                 580                 600                 620                 640                 660

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

Sec.Str
Seq

CCCCCCCCCCCCCCCCCHHHHHHHCCCCCCCCCHHHHHHHHHHHCCCEEEEEHCCCCHHHHHHHHHHCCCHHHHHHHHHHCEEEEHCCCCCCHHHHHHHHHHHHHHCCCCCCEEEEHCCCCCEEEEHCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCHHHHHHHHHHHHHHHCHCCCCCCCCCCCCCHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHCCCCCCCCCEEEEEHCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCEEEHCCHHHHHHHCCHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHCCCCCCCCEEEHCCHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHCCCEEEEEHCCCCCCCCCCCHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHCCCCCCCCEHCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHCHHHHHHHHHHHHHHHHCCEEEEEHCCCHHHHHHHHHHHCCCCCEEEHCCCCCCCHHHHCCCCCCCCEEEEEHCCCEHCCCCCCHHHHHHHHHCCC
MSPANPSGTNTLALATSPYLRQHADNPVHWQQWTPQALAEAAARAVPILLSVGYAACHWCHVMAHESFDDDEVAAAMNAGFVCIKVDREERPDIDAVYMNATVALTGQGGWPMTCFLTPNGRPFFCGTYYPKAAFLQLLSAISETWRERRAEVEQASDHIAAELRSMASGLPGGGPEVAPELCDDAVAGVLREQDTAHGGFGGAPKFPPSALLEALMRHYERTRSPAALEAVARTGNAMARGGIYDQLGGGFARYSVDGAWVVPHFEKMLYDNALLLRAYAHWARRTGDPLARRVAAQTARFLLDELGSKAPADMFTSSLDADADGREGSTYVWTPVQLTEVLGGDDGRWAAEVFGVTEAGTFEHGTSVLQLPADPDDAARLDRVRAALLVARLARAQPARDDKVVTSWNGLAITALAEASVALDDPALAHAARRCATRLLDLHVVDGRLRRASLGGVVGDSAAILEDHAMLATGLLALYQLTSEGAWLTAATGLLDTAVAHFGDPQRPGRWFDTADDAERLMLRPSDPLDGATPSGASSIAEALLTAGHVVDGARAERYWQLAADTLRAHAVLLARAPRSAGHWLAVAEAVVRGPLQIAVACDLPRSSLLADARRLAPGGAIVVGGAAGSSALLVGRDRVAGADAAYVCRGRVCDLPVTSAAELATALGVPG

3wkfA

0.18

0.10

0.56

1.00

MUSTER

---------------------------------------------------------------------------------------------------------------------TET---------IPD---------------------VRRLRALQAEVHEELT----------ENILKFWATRTH---DPVHGGFPEAPRGLNARILWTFAAAYRQLGTPLYREMAERAYRYFVRHF-VDAEHGGVY-WMVAADGRPLDTRKHVYAQSFAIYALSEWHRATGGEAALALARSIYDLIETHCADR-VHGGYVEACDRAWRPLED--ARLSAKDAPEPRSMNTHLHVLEAY-----------ANLYRVWPETELAARLQALIELFLRAIYHPATGHLILFFDERWDIEASWLLLEAVDVLGQATLRPRVQQASLHLARATLADGSLYYEIGEQGHLDTDRHWWPQAEALVGFLNAYQESGEVLFYEAAEDVWRYIRERQRDTRGGEWFARVRDDGA--PYPDDKVDFWKGP-NGRACLEAIQRLRHLLEHV----------------------------------------------------------------------------------------------------------------------

3iraA

0.47

0.12

0.25

1.51

dPPAS

------AEPNRLIKEKSPYLLQHAYNPVDWYPWGEEAFEKARKENKPVFLSIGYSTCHWCHMMAHESFEDEEVAGLMNEAFVSIKVDREERPDIDNIYMTVCQIILGRGGWPLNIIMTPGKKPFFAGTYIPKIGMLELVPRIKEIWEQQHEEVLDSAEKITSTIQEMIKESS---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

3wkfA

0.18

0.10

0.54

1.20

dPPAS

-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------TETIPDVRRLRALQAEVHEELTPVHGGFDGRPHPEAARILWTFAAAYRQLGTPLYREMAERAYRYFVRHF-VDAEHGGVY-WMVAADGRPLDTRKHVYAQSFAIYALSEWHRATGGEAALALARSIYDLIETHCADR-VHGGYVEACDRAWRPLED--ARLSAKDAPEPRSMNTHLHVLEAY-----------ANLYRVWPETELAARLQALIELFLRAIYHPATGHLILFFDERWDIEASWLLLEAVDVLGQATLRPRVQQASLHLARATLADGSLYYEIGEQGHLDTDRHWWPQAEALVGFLNAYQESGEVLFYEAAEDVWRYIRERQRDTRGGEWFARVRDDG-APYPDDKVDFWKGPYHNGRACLEAIQRLRHLLEHV----------------------------------------------------------------------------------------------------------------------

3iraA

0.47

0.12

0.25

2.26

wdPPAS

------AEPNRLIKEKSPYLLQHAYNPVDWYPWGEEAFEKARKENKPVFLSIGYSTCHWCHMMAHESFEDEEVAGLMNEAFVSIKVDREERPDIDNIYMTVCQIILGRGGWPLNIIMTPGKKPFFAGTYIPKIGMLELVPRIKEIWEQQHEEVLDSAEKITSTIQEMIKESS---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

3wkfA

0.19

0.10

0.55

1.66

wdPPAS

---------------------------------------------------------------------------------------------------------------------TET---------IPD-------------------------VRRLRALQAEVH----------EELTENILKFWATRTDPVHGGFPEAPR--NARILWTFAAAYRQLGTPLYREMAERAYRYFVRH-FVDAEHGGVY-WMVAADGRPLDTRKHVYAQSFAIYALSEWHRATGGEAALALARSIYDLIETHCADR-VHGGYVEACDRAWRPLEDARLSAKDAPEPRSMNLHVLEAYANLYRVW---------------PETELAARLQALIELFLRAIYHPATGHLILFFDERWDIEASWLLLEAVDVLGQATLRPRVQQASLHLARATLADGSLYYEIGEQGHLDTDRHWWPQAEALVGFLNAYQESGEVLFYEAAEDVWRYIRERQRDTRGGEWFARVRDDG-APYPDDKVDF-WKGPHNGRACLEAIQRLRHLLEHV----------------------------------------------------------------------------------------------------------------------

3iraA

0.48

0.12

0.24

1.18

wMUSTER

--------PNRLIKEKSPYLLQHAYNPVDWYPWGEEAFEKARKENKPVFLSIGYSTCHWCHMMAHESFEDEEVAGLMNEAFVSIKVDREERPDIDNIYMTVCQIILGRGGWPLNIIMTPGKKPFFAGTYIPKIGMLELVPRIKEIWEQQHEEVLDSAEKITSTIQEMIKESS---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

3wkfA

0.18

0.10

0.56

1.17

wMUSTER

-----------------------------------------------------------------------------------------------------------------------------------------------------TETIPD--VRRLRALQAEVH----------EELTENILKFWATRTDPVHGGFPEAPRGLNARILWTFAAAYRQLGTPLYREMAERAYRYFVRH-FVDAEHGGVY-WMVAADGRPLDTRKHVYAQSFAIYALSEWHRATGGEAALALARSIYDLIETHCADR-VHGGYVEACDRAWRPLEDAR--LSAKDAPEPRSMNTHLHVLEAY-----------ANLYRVWPETELAARLQALIELFLRAIYHPATGHLILFFDERWDIEASWLLLEAVDVLGQATLRPRVQQASLHLARATLADGSLYYEIGEQGHLDTDRHWWPQAEALVGFLNAYQESGEVLFYEAAEDVWRYIRERQRDTRGGEWFARVRDDGA-PYPDDKVDF-WKGP-NGRACLEAIQRLRHLLEHV----------------------------------------------------------------------------------------------------------------------

3iraA

0.47

0.12

0.25

2.11

wPPAS

------AEPNRLIKEKSPYLLQHAYNPVDWYPWGEEAFEKARKENKPVFLSIGYSTCHWCHMMAHESFEDEEVAGLMNEAFVSIKVDREERPDIDNIYMTVCQIILGRGGWPLNIIMTPGKKPFFAGTYIPKIGMLELVPRIKEIWEQQHEEVLDSAEKITSTIQEMIKESS---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

3wkfA

0.17

0.10

0.56

1.52

wPPAS

---------------------------------------------------------------------------------------------------------------------TET---------IP-----------------DVRRLRALQAEVHEELTENIL----------KFWATRTH-------DPVHGGFGRAPRG-NARILWTFAAAYRQLGTPLYREMAERAYRYFVRH-FVDAEHGGVY-WMVAADGRPLDTRKHVYAQSFAIYALSEWHRATGGEAALALARSIYDLIETHCADR-VHGGYVEACDRAWRPLEDARLSAKDAPEPRSMNLHVLEAYANLYRVWPETELA-----------ARLQALIELFLRAIYHPATGHLILFFDRAVSFGHDIEASWLLLEAVDVLGQATLRPRVQQASLHLARATLADGSLYYEIGEQGHLDTDRHWWPQAEALVGFLNAYQESGEVLFYEAAEDVWRYIRERQRDTRGGEWFARVRDDGA-PYPDDK----DFWKGNGRACLEAIQRLRHLLEHV----------------------------------------------------------------------------------------------------------------------

3iraA

0.47

0.12

0.25

3.67

dPPAS2

------AEPNRLIKEKSPYLLQHAYNPVDWYPWGEEAFEKARKENKPVFLSIGYSTCHWCHMMAHESFEDEEVAGLMNEAFVSIKVDREERPDIDNIYMTVCQIILGRGGWPLNIIMTPGKKPFFAGTYIPKIGMLELVPRIKEIWEQQHEEVLDSAEKITSTIQEMIKESS---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

(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=-3.06

Estimated TM-score = 0.37±0.13

Estimated RMSD = 15.8±3.2Å

Download Model 2

C-score=-3.58

Download Model 3

C-score=-3.71

Download Model 4

C-score=-3.62

Download Model 5

C-score=-3.36

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	3wkfA	0.543	1.84	0.172	0.560
2	4z4jA	0.515	2.19	0.154	0.539
3	3vw5A	0.511	2.07	0.156	0.533
4	1fp3A	0.484	3.04	0.131	0.529
5	2zblB	0.482	3.47	0.142	0.536
6	3gt5A	0.479	2.72	0.144	0.516
7	1dl2A	0.468	4.54	0.083	0.560
8	1hcuB	0.468	4.59	0.085	0.565
9	3h7lA	0.467	4.12	0.105	0.541
10	1nxcA	0.466	4.47	0.095	0.556

(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	3wkiA	BGC	Rep, Mult	332,333,337,338,532
2	0.06	3	3wkiA	GLO	Rep, Mult	211,271,346,350,466,467,531,536
3	0.04	2	2j7nA	MG	Rep, Mult	321,323,325
4	0.02	1	2ohjA	FE	Rep, Mult	61,195,265
5	0.02	1	2b51A	MN	Rep, Mult	93,95
6	0.02	1	3rjyA	GLC	Rep, Mult	89,111,129
7	0.02	1	2ohiE	FE	Rep, Mult	58,66,195
8	0.02	1	1dogA	MAN	Rep, Mult	34,35,36,37,38,39
9	0.02	1	3c68A	BMA	Rep, Mult	19,87,89
10	0.02	1	1j7lA	MG	Rep, Mult	237,246
11	0.02	1	1dl2A	UUU	Rep, Mult	20,23,24,27,60,63,64
12	0.02	1	3azrA	BGC	Rep, Mult	89,135,146
13	0.02	1	4d4dA	IFM	Rep, Mult	271,346,347,350,403,467
14	0.02	1	1v7xA	SO4	Rep, Mult	465,467,513,533,535
15	0.02	1	1yt3A	ZN	Rep, Mult	87,89,272
16	0.02	1	3c67B	GLC	Rep, Mult	37,40,41,44
17	0.02	1	2qs8A	MG	Rep, Mult	58,61,321
18	0.02	1	4gttB	7TQ	Rep, Mult	207,208,214,275,278,282,353,467,471,528,535
19	0.02	1	2ri8A	GOL	Rep, Mult	208,212,467,533,535
20	0.02	1	1g6iA	UUU	Rep, Mult	60,63,64,69,114

	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	0.067	1fp3A	0.484	3.04	0.131	0.529	5.1.3.8	NA
2	0.066	1nxcA	0.466	4.47	0.095	0.556	3.2.1.113	NA
3	0.060	1dl2A	0.468	4.54	0.083	0.560	3.2.1.113	NA
4	0.060	2vn4A	0.451	4.94	0.089	0.547	3.2.1.3	520
5	0.060	1j0mA	0.363	4.98	0.060	0.444	4.2.2.12	NA
6	0.060	1clcA	0.420	5.03	0.060	0.520	3.2.1.4	NA
7	0.060	1ft1B	0.386	4.44	0.082	0.464	2.5.1.58,2.5.1.-	NA
8	0.060	3ebgA	0.373	7.47	0.050	0.563	3.4.11.-	129
9	0.060	1fmiA	0.463	4.59	0.094	0.557	3.2.1.113	NA
10	0.060	1l2aE	0.444	4.31	0.090	0.523	3.2.1.4	NA
11	0.060	1fo2A	0.463	4.61	0.094	0.557	3.2.1.113	25,135
12	0.060	1ia7A	0.408	3.96	0.087	0.471	3.2.1.4	NA
13	0.060	1hzfA	0.359	3.92	0.121	0.413	3.4.21.43	NA
14	0.060	1ksdA	0.405	4.34	0.112	0.481	3.2.1.4	21,24,70
15	0.060	2dqmA	0.374	7.48	0.056	0.572	3.4.11.2	NA
16	0.060	1hcuB	0.468	4.59	0.085	0.565	3.2.1.113	NA
17	0.060	1is9A	0.399	4.10	0.052	0.465	3.2.1.4	24
18	0.060	1h12A	0.408	4.45	0.084	0.486	3.2.1.8	NA
19	0.060	2drsA	0.406	4.20	0.060	0.475	3.2.1.156	139
20	0.060	1n4pB	0.376	4.45	0.075	0.450	2.5.1.59,2.5.1.-	NA
21	0.060	1w6jA	0.417	4.74	0.075	0.495	5.4.99.7	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	0.545	1.98	0.17	0.56	3wkgA	GO:0003824 GO:0016853 GO:0047736
1	0.07	0.515	2.19	0.15	0.54	4z4jA	GO:0003824 GO:0016853 GO:0047736
2	0.07	0.511	2.07	0.16	0.53	3vw5A	GO:0003824 GO:0005737 GO:0016853 GO:0047736
3	0.07	0.482	3.47	0.14	0.54	2zblB	GO:0003824 GO:0006044 GO:0016853 GO:0050121 GO:0061593 GO:1902777
4	0.07	0.479	2.72	0.14	0.52	3gt5A	GO:0003824
5	0.07	0.484	3.04	0.13	0.53	1fp3A	GO:0003824 GO:0004866 GO:0006044 GO:0010951 GO:0016853 GO:0019262 GO:0050121
6	0.06	0.371	3.62	0.09	0.42	4v1rA	GO:0003824
7	0.06	0.449	3.11	0.12	0.49	2gz6A	GO:0003824
8	0.06	0.400	3.54	0.09	0.45	5agdB	GO:0003824 GO:0030246
9	0.06	0.268	7.46	0.04	0.41	3a8uX	GO:0003824 GO:0008483 GO:0016223 GO:0016740 GO:0030170
10	0.06	0.228	7.36	0.03	0.35	2xdqB	GO:0000166 GO:0005524 GO:0015979 GO:0015995 GO:0016491 GO:0016636 GO:0016730 GO:0019685 GO:0036068 GO:0046148 GO:0046872 GO:0051536 GO:0051539 GO:0055114
11	0.06	0.200	7.17	0.05	0.30	7mdhB	GO:0003824 GO:0005975 GO:0006108 GO:0009507 GO:0009536 GO:0016491 GO:0016615 GO:0016616 GO:0046554 GO:0055114
12	0.06	0.199	7.60	0.03	0.31	5eb4A	GO:0016491 GO:0016614 GO:0016829 GO:0046593 GO:0050660 GO:0055114
13	0.06	0.227	6.83	0.03	0.33	4h7nA	GO:0004029 GO:0008152 GO:0016491 GO:0016620 GO:0055114
14	0.06	0.172	6.61	0.06	0.25	2lgzA	GO:0004576 GO:0004579 GO:0005783 GO:0005789 GO:0006486 GO:0006487 GO:0008250 GO:0016020 GO:0016021 GO:0016740 GO:0016757 GO:0018279 GO:0043687
15	0.06	0.175	6.33	0.06	0.25	2x4gA	GO:0003824 GO:0050662
16	0.06	0.185	6.80	0.03	0.27	3pq1A	GO:0000166 GO:0000287 GO:0002134 GO:0003723 GO:0004652 GO:0005524 GO:0005737 GO:0005739 GO:0006351 GO:0006378 GO:0006397 GO:0016740 GO:0016779 GO:0030145 GO:0042802 GO:0042803 GO:0043231 GO:0044822 GO:0046872 GO:0071044
17	0.06	0.150	5.23	0.03	0.19	3hveA	GO:0004842 GO:0005737 GO:0005856 GO:0007010 GO:0016567 GO:0031463 GO:0042787
18	0.06	0.166	6.86	0.05	0.24	4rkqA	GO:0003677 GO:0003700 GO:0006351 GO:0006355

Consensus prediction of GO terms

Molecular Function	GO:0016857
GO-Score	0.37
Biological Processes	GO:1902777	GO:0006044
GO-Score	0.07	0.07
Cellular Component	GO:0005737
GO-Score	0.07

(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.