I-TASSER results

I-TASSER results for job id Rv2565

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

Input Sequence in FASTA format

>protein (583 residues)
MTTARRRPKRRGTDARTALRNVPILADIDDEQLERLATTVERRHVPANQWLFHAGEPADS
IYIVDSGRFVAVAPEGHVFAEMASGDSIGDLGVIAGAARSAGVRALRDGVVWRIAAETFT
DMLEATPLLQSAMLRAMARMLRQSRPAKTARRPRVIGVVSNGDTAAAPMVDAIATSLDSH
GRTAVIAPPVETTSAVQEYDELVEAFSETLDRAERSNDWVLVVADRGAGDLWRHYVSAQS
DRLVVLVDQRYPPDAVDSLATQRPVHLITCLAEPDPSWWDRLAPVSHHPANSDGFGALAR
RIAGRSLGLVMAGGGARGLAHFGVYQELTEAGVVIDRFGGTSSGAIASAAFALGMDAGDA
IAAAREFIAGSDPLGDYTIPISALTRGGRVDRLVQGFFGNTLIEHLPRGFFSVSADMITG
DQIIHRRGSVSGAVRASISIPGLIPPVHNGEQLLVDGGLLNNLPANVMCADTDGEVICVD
LRRTFVPSKGFGLLPPIVTPPGLLRRLLTGTDNALPPLQETLLRAFDLAASTANLRELPR
VAAIIEPDVSKIGVLNFKQIDAALEAGRMAARAALQAQPDLVR

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MTTARRRPKRRGTDARTALRNVPILADIDDEQLERLATTVERRHVPANQWLFHAGEPADSIYIVDSGRFVAVAPEGHVFAEMASGDSIGDLGVIAGAARSAGVRALRDGVVWRIAAETFTDMLEATPLLQSAMLRAMARMLRQSRPAKTARRPRVIGVVSNGDTAAAPMVDAIATSLDSHGRTAVIAPPVETTSAVQEYDELVEAFSETLDRAERSNDWVLVVADRGAGDLWRHYVSAQSDRLVVLVDQRYPPDAVDSLATQRPVHLITCLAEPDPSWWDRLAPVSHHPANSDGFGALARRIAGRSLGLVMAGGGARGLAHFGVYQELTEAGVVIDRFGGTSSGAIASAAFALGMDAGDAIAAAREFIAGSDPLGDYTIPISALTRGGRVDRLVQGFFGNTLIEHLPRGFFSVSADMITGDQIIHRRGSVSGAVRASISIPGLIPPVHNGEQLLVDGGLLNNLPANVMCADTDGEVICVDLRRTFVPSKGFGLLPPIVTPPGLLRRLLTGTDNALPPLQETLLRAFDLAASTANLRELPRVAAIIEPDVSKIGVLNFKQIDAALEAGRMAARAALQAQPDLVR
Prediction	CCCCCCCCCCHHHHHHHHHHHCHHHCCCCHHHHHHHHHHCEEEEHCCCEEEEHCCCCCCEEEEEEHCEEEEEHCCCEEEEEHCCCCEEEEHHHHCCCCCCEEEEEEHCEEEEEHCHHHHHHHHHHCHHHHHHHHHHHHHHHHHHHCCCCCCCCCEEEEHCCCCCCCHHHHHHHHHHHHHHCCCCCCCCHHHCCCHHHHHHHHHHHHHHHHHHHHHHCCEEEEEHCCCCCCHHHHHHHHHCCEEEEHCCCCCCCHHHHHHHHHHHHHHHCCCCCCCHHHHHHCCCCCCCCCCCCHHHHHHHHHCCCCEEEEHCCCHHHHHHHHHHHHHHHHHCCCCCEEEHCCHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHCCCCCCCCCEHCCHHHHHHHHHHHCCCCHHHCCCCEEEEEEHCCCCCEEEHCCCHHHHHHHHHHHCCCCCCCEEHCCEEEEHCCCCCCCCHHHHHHHCCCEEEEEHCCCCCCCCCCCCCCCCCCCHHHHHHHHHCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHCCCCEEEHCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHC
Conf.Score	9987667764579999999978676589999999999983568886997999589888869999966899996898699998699567655765699986589999756999988999999999886999999999999999875666667765677655777775589999999999988533355455545467788888789999999999987879999679998689999999888799995899885566677777666554456677768887656666666766468888877658858999878667899999999999999999769997688899999999799999999999999987766556555656455549999999999699887878887799998689996899778879999999976666679789899999854556886699999989998999969998877777777765554678887665567888888999999999999999999996799899957888877668789999999999999999999999979
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MTTARRRPKRRGTDARTALRNVPILADIDDEQLERLATTVERRHVPANQWLFHAGEPADSIYIVDSGRFVAVAPEGHVFAEMASGDSIGDLGVIAGAARSAGVRALRDGVVWRIAAETFTDMLEATPLLQSAMLRAMARMLRQSRPAKTARRPRVIGVVSNGDTAAAPMVDAIATSLDSHGRTAVIAPPVETTSAVQEYDELVEAFSETLDRAERSNDWVLVVADRGAGDLWRHYVSAQSDRLVVLVDQRYPPDAVDSLATQRPVHLITCLAEPDPSWWDRLAPVSHHPANSDGFGALARRIAGRSLGLVMAGGGARGLAHFGVYQELTEAGVVIDRFGGTSSGAIASAAFALGMDAGDAIAAAREFIAGSDPLGDYTIPISALTRGGRVDRLVQGFFGNTLIEHLPRGFFSVSADMITGDQIIHRRGSVSGAVRASISIPGLIPPVHNGEQLLVDGGLLNNLPANVMCADTDGEVICVDLRRTFVPSKGFGLLPPIVTPPGLLRRLLTGTDNALPPLQETLLRAFDLAASTANLRELPRVAAIIEPDVSKIGVLNFKQIDAALEAGRMAARAALQAQPDLVR
Prediction	6544454244445402400350300450447104301510442305412200323250100000130302012665411120343000000000063212000201130100102261034004510400230041004103413434323312100111123220120042024004422341233440333323420441353034003401630100000013443320131001100000000225322531432124211321313244324104213113333424420120023245430000000001000000000100373703000000000001010020011204201400240033222011000101000205201410361054430440311000000103301211055330030000000000000002154100000000010003103625031000000124334444243344332123113311433343121012001100100333233441550000000306503113262043005201610361055046137
	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

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

Sec.Str
Seq

CCCCCCCCCCHHHHHHHHHHHCHHHCCCCHHHHHHHHHHCEEEEHCCCEEEEHCCCCCCEEEEEEHCEEEEEHCCCEEEEEHCCCCEEEEHHHHCCCCCCEEEEEEHCEEEEEHCHHHHHHHHHHCHHHHHHHHHHHHHHHHHHHCCCCCCCCCEEEEHCCCCCCCHHHHHHHHHHHHHHCCCCCCCCHHHCCCHHHHHHHHHHHHHHHHHHHHHHCCEEEEEHCCCCCCHHHHHHHHHCCEEEEHCCCCCCCHHHHHHHHHHHHHHHCCCCCCCHHHHHHCCCCCCCCCCCCHHHHHHHHHCCCCEEEEHCCCHHHHHHHHHHHHHHHHHCCCCCEEEHCCHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHCCCCCCCCCEHCCHHHHHHHHHHHCCCCHHHCCCCEEEEEEHCCCCCEEEHCCCHHHHHHHHHHHCCCCCCCEEHCCEEEEHCCCCCCCCHHHHHHHCCCEEEEEHCCCCCCCCCCCCCCCCCCCHHHHHHHHHCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHCCCCEEEHCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHC
MTTARRRPKRRGTDARTALRNVPILADIDDEQLERLATTVERRHVPANQWLFHAGEPADSIYIVDSGRFVAVAPEGHVFAEMASGDSIGDLGVIAGAARSAGVRALRDGVVWRIAAETFTDMLEATPLLQSAMLRAMARMLRQSRPAKTARRPRVIGVVSNGDTAAAPMVDAIATSLDSHGRTAVIAPPVETTSAVQEYDELVEAFSETLDRAERSNDWVLVVADRGAGDLWRHYVSAQSDRLVVLVDQRYPPDAVDSLATQRPVHLITCLAEPDPSWWDRLAPVSHHPANSDGFGALARRIAGRSLGLVMAGGGARGLAHFGVYQELTEAGVVIDRFGGTSSGAIASAAFALGMDAGDAIAAAREFIAGSDPLGDYTIPISALTRGGRVDRLVQGFFGNTLIEHLPRGFFSVSADMITGDQIIHRRGSVSGAVRASISIPGLIPPVHNGEQLLVDGGLLNNLPANVMCADTDGEVICVDLRRTFVPSKGFGLLPPIVTPPGLLRRLLTGTDNALPPLQETLLRAFDLAASTANLRELPRVAAIIEPDVSKIGVLNFKQIDAALEAGRMAARAALQAQPDLVR

5fquA

0.30

0.12

0.41

1.22

MUSTER

---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RPKIGLVLSGGAARGLAHIGVLKALDEQGIQIDAIAGTS-GAVVGGLYASGYTPAELERIALEDWQPLGVIQGQNL--------AVLESLLVHTSDNRDFDKLAIPFRAVSTDIATGEKVVFRKGHLPQAIRASS-IPAVFAP--VEIRLLVDGG-VDNIPVDVARD--VDVVIVVDIGNPLRDRKDLSTVLDV-----------------------NQSITLTRKNSEAQLATLKPGDVLIQPPLSGYGTTDFGRVPQLIDAGYRATTVLAARLAEL--

5fquA

0.30

0.12

0.41

1.72

dPPAS

---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RPKIGLVLSGGAARGLAHIGVLKALDEQGIQIDAIAGTS-GAVVGGLYASGYTPAELERIALEDWQPLGVIQGQNL--------AVLESLLVHTSDNRDFDKLAIPFRAVSTDIATGEKVVFRKGHLPQAIRASS-IPAVFAP--VEIRLLVDGG-VDNIPVDVARDG-VDVVIVVDIGNPLRDRKDLSTVLDV-----------------------NQSITLTRKNSEAQLATLKPGDVLIQPPLSGYGTTDFGRVPQLIDAGYRATTVLAARLAEL--

5fquA

0.30

0.12

0.40

2.74

wdPPAS

---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RPKIGLVLSGGAARGLAHIGVLKALDEQGIQIDAIAGTS-GAVVGGLYASGYTPAELERIALE-----------DWQPLGVIQGAVLESLLVHTSDNRDFDKLAIPFRAVSTDIATGEKVVFRKGHLPQAIRASS-IPAVFAP--VEIRLLVDGGV-DNIPVDVARD--VDVVIVVDIGNPLRDRKDLST-------------------------VLDVNQSITLTRKNSEAQLAKPGDVLIQPPLSGYGTTDFGRVPQLIDAGYRATTVLAARLAEL--

5fquA

0.30

0.13

0.41

1.48

wMUSTER

-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------R----PKIGLVLSGGAARGLAHIGVLKALDEQGIQIDAIAGTS-GAVVGGLYASGYTPAELERIALEDWQPLGVIQGQNL--------AVLESLLVHTSDNRDFDKLAIPFRAVSTDIATGEKVVFRKGHLPQAIRASS-IPAVFAP--VEIRLLVDGG-VDNIPVDVARD--VDVVIVVDIGNPLRDRKDLSTVLDV-----------------------NQSITLTRKNSEAQLATLKPGDVLIQPPLSGYGTTDFGRVPQLIDAGYRATTVLAARLAEL--

5fquA

0.30

0.12

0.40

2.72

wPPAS

---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RPKIGLVLSGGAARGLAHIGVLKALDEQGIQIDAIAGTS-GAVVGGLYASGYTPAELERIALE-----------DWQPLGVIQGAVLESLLVHTSDNRDFDKLAIPFRAVSTDIATGEKVVFRKGHLPQAIRASS-IPAVFAPVE--IRLLVDGGV-DNIPVDVARD--VDVVIVVDIGNPLRDRKDLST-------------------------VLDVNQSITLTRKNSEAQLATPGDVLIQPPLSGYGTTDFGRVPQLIDAGYRATTVLAARLAEL--

5fquA

0.30

0.12

0.41

3.90

dPPAS2

---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RPKIGLVLSGGAARGLAHIGVLKALDEQGIQIDAIAGTS-GAVVGGLYASGYTPAELERIALEDWQPLGVIQGQNL--------AVLESLLVHTSDNRDFDKLAIPFRAVSTDIATGEKVVFRKGHLPQAIRASS-IPAVFAP--VEIRLLVDGG-VDNIPVDVARDG-VDVVIVVDIGNPLRDRKDLSTVLDV-----------------------NQSITLTRKNSEAQLATLKPGDVLIQPPLSGYGTTDFGRVPQLIDAGYRATTVLAARLAEL--

5fquA

0.31

0.13

0.41

2.46

PPAS

---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RPKIGLVLSGGAARGLAHIGVLKALDEQGIQIDAIAGTS-GAVVGGLYASGYTPAELERIALEDWQPLGVIQGQNL--------AVLESLLVHTSDNRDFDKLAIPFRAVSTDIATGEKVVFRKGHLPQAIRASS-IPAVFAPVE--IRLLVDGG-VDNIPVDVARD--VDVVIVVDIGNPLRDRKDLS-----------------------TVLDVNQSITLTRKNSEAQLATLKPGDVLIQPPLSGYGTTDFGRVPQLIDAGYRATTVLAARLAEL--

5fquA

0.31

0.13

0.41

4.61

Env-PPAS

---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RPKIGLVLSGGAARGLAHIGVLKALDEQGIQIDAIAGTS-GAVVGGLYASGYTPAELERIALEDWQPLGVIQGQNL--------AVLESLLVHTSDNRDFDKLAIPFRAVSTDIATGEKVVFRKGHLPQAIRASS-IPAVFAPVE--IRLLVDGG-VDNIPVDVARDG-VDVVIVVDIGNPLRD-----------------RKDLSTV------LDVNQSITLTRKNSEAQLATLKPGDVLIQPPLSGYGTTDFGRVPQLIDAGYRATTVLAARLAEL--

4b3fX

0.09

0.92

0.72

MUSTER

SAAVESLDLLELERDAEVEERRSWQENISLKELQSRGVCLSQRTGLYGRLLVT-RYAALPSNSFTSGIVGLYDAANGILTRVTQKSVTVAFDSLDRENSYRLLKLANDVTYRRL-KKALIALKKYHSGPASSLIEVLFG------RSAPSPASEIHPLTFFNTCLDTSQKEAVLFALSQKELAIIHGPPGTG---------KTTTVVEIILQAVKQGLKVLCCAPSNIADNLVERLALCKQRILRLGHPARLLESIQQHSLDAVLARSDSAQIVADIRKDIDQVFVKNKKKSNFRNEIKLLRK-----------ELKEREEAAMLESLTSANV---VLATN--------TGASADGPLKLLPECAQAL-EASCWIPLLKARKCILAGD--HKQLPPTTVSHKAALAGLSLSLMERLAEEYGARVVRT--LTVQYRMHQAIMRWASDTMYLGQ-LTAHSSVARHLLRDLTEETGVPLLLVDTAGCGLFELESKGNPGEVRLVSLHIQALVDAGVPARDIA-VVSNLQVDLLRQSLVHRHPELEVILSFRKGEVGFLEDRRINVAVTRASRTVNAFLKTLVEYFT

4avaA

0.14

0.08

0.53

0.88

dPPAS

-----DGIAELTGARVEDLAGMDVFQGCPAEGLVSLAASVQPLRAAAGQVLLRQGEPAVSFLLISSGSAEVSHVGDAIIARALPGMIVGEIALLRDSPRSATVTTIEPLTGWTGGRGAFATMVHIPGVGERLLRTARQRLAAFVSPIPVRLADGTQLMLRPVLPGDRERT---------------VHGHIQFSGETLYRRFMSPALMHYLSEVDYVDHFVWVVTDGSDPVADARFVRDETDIAFTVADAYQGRSFLIGALSVAARVDGVERSDNVPMRTIMDRYGAVWQREDVGVITTMIDVPGPGELSL--GREMVDQINRVARQVIEAVG-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

(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=-4.16

Estimated TM-score = 0.27±0.08

Estimated RMSD = 18.5±2.2Å

Download Model 2

C-score=-4.03

Download Model 3

C-score=-4.32

Download Model 4

C-score=-3.96

Download Model 5

C-score=-4.11

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	4akfA	0.499	1.86	0.162	0.520
2	1cjyA2	0.380	5.22	0.076	0.477
3	5ikyA	0.373	7.60	0.068	0.600
4	3iytA	0.368	7.66	0.037	0.594
5	4xqkA	0.364	7.50	0.045	0.576
6	5ixcA3	0.354	5.29	0.112	0.449
7	3ecqB	0.354	7.87	0.063	0.580
8	2iwhB	0.354	7.71	0.046	0.575
9	4pj3A	0.342	7.84	0.048	0.561
10	4durA	0.341	8.00	0.061	0.568

(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	0.12	6	3gydA	CMP	Rep, Mult	71,80,88,89,90,91,92,99,100,101,103,144
2	0.02	1	4mvjB	POP	Rep, Mult	567,568,569
3	0.02	1	1gr0A	ZN	Rep, Mult	320,563
4	0.02	1	4nqqA	CA	Rep, Mult	314,480
5	0.02	1	3sfzA	GBL	Rep, Mult	307,328,331
6	0.02	1	2bx2L	MG	Rep, Mult	416,456
7	0.02	1	4jcbQ	BCL	Rep, Mult	321,324
8	0.02	1	3m81A	CA	Rep, Mult	404,416
9	0.02	1	1q90M	BCR	Rep, Mult	499,503
10	0.02	1	3c46A	2HP	Rep, Mult	351,355,356
11	0.02	1	2q5dB	III	Rep, Mult	480,483,535
12	0.02	1	1i1eA	DM2	Rep, Mult	413,414,447,448,449,454,456
13	0.02	1	4pkbA	MAY	Rep, Mult	313,342,343,438,456
14	0.02	1	4a8sA	MG	Rep, Mult	548,549,550
15	0.02	1	1ethA	BMA	Rep, Mult	505,506
16	0.02	1	2zhcA	MG	Rep, Mult	456,457
17	0.02	1	3lw5K	CLA	Rep, Mult	132,136
18	0.02	1	2ibfA	III	Rep, Mult	319,320,322,323,326,327,330,361,365
19	0.02	1	3shfA	GBL	Rep, Mult	339,341,348,352
20	0.02	1	3gt3A	BRV	Rep, Mult	341,344

	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	2fgeA	0.311	8.17	0.054	0.535	3.4.24.-	NA
2	0.060	2j5wA	0.322	8.05	0.040	0.544	1.16.3.1	NA
3	0.060	1j0mA	0.308	7.97	0.058	0.508	4.2.2.12	341,434
4	0.060	3gf7A	0.318	7.45	0.055	0.499	4.1.1.70	NA
5	0.060	1iv8A	0.317	7.80	0.043	0.516	5.4.99.15	NA
6	0.060	2vz8B	0.319	7.84	0.065	0.511	2.3.1.85	NA
7	0.060	2je8B	0.298	7.76	0.061	0.484	3.2.1.25	NA
8	0.060	1i8qA	0.319	7.17	0.048	0.496	4.2.2.1	NA
9	0.060	3gtgB	0.311	7.61	0.030	0.499	2.7.7.6	NA
10	0.060	1pixA	0.325	7.06	0.062	0.496	4.1.1.70	436
11	0.060	2vuaA	0.222	7.39	0.048	0.348	3.4.24.69	NA
12	0.060	1l5jA	0.337	7.95	0.042	0.557	4.2.1.3	464
13	0.060	2vz8A	0.321	7.84	0.054	0.518	2.3.1.85	NA
14	0.060	1cjyA	0.347	5.44	0.063	0.453	3.1.1.4,3.1.1.5	NA
15	0.060	1t3tA	0.322	8.01	0.056	0.533	6.3.5.3	NA
16	0.060	2fknB	0.312	7.64	0.063	0.504	4.2.1.49	339,480,481
17	0.060	1ileA	0.325	7.07	0.046	0.485	6.1.1.5	340
18	0.060	2zkmX	0.317	7.96	0.056	0.528	3.1.4.11	NA
19	0.060	1z0hB	0.219	7.50	0.035	0.350	3.4.24.69	449

(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	0.15	0.340	2.75	0.26	0.37	5fyaB	GO:0006629 GO:0008152 GO:0009279 GO:0016020 GO:0016021 GO:0016787 GO:0019867
1	0.10	0.499	1.86	0.16	0.52	4akfA	GO:0006629 GO:0008152
2	0.08	0.322	4.27	0.14	0.38	4akxB	GO:0006629 GO:0008152
3	0.06	0.373	7.60	0.07	0.60	5ikyA	GO:0003824 GO:0016740 GO:0019475
4	0.06	0.347	5.44	0.06	0.45	1cjyA	GO:0001542 GO:0001554 GO:0004620 GO:0004622 GO:0004623 GO:0005509 GO:0005544 GO:0005634 GO:0005737 GO:0005743 GO:0005783 GO:0005789 GO:0005794 GO:0005829 GO:0006629 GO:0006644 GO:0006654 GO:0006663 GO:0006690 GO:0007568 GO:0008152 GO:0008284 GO:0008970 GO:0009395 GO:0009408 GO:0009725 GO:0010033 GO:0010226 GO:0010243 GO:0016023 GO:0016042 GO:0016787 GO:0019369 GO:0030501 GO:0031340 GO:0031394 GO:0031410 GO:0031622 GO:0032496 GO:0033280 GO:0035035 GO:0035965 GO:0036148 GO:0036149 GO:0036150 GO:0036151 GO:0036152 GO:0042127 GO:0042542 GO:0042588 GO:0043065 GO:0043129 GO:0043231 GO:0046456 GO:0046697 GO:0046872 GO:0047498 GO:0048471 GO:0050482 GO:0050729 GO:0051384 GO:0051592 GO:0051597 GO:0071236
5	0.06	0.310	8.34	0.05	0.54	5iz5A	GO:0004620 GO:0004622 GO:0004623 GO:0005737 GO:0005829 GO:0006629 GO:0006644 GO:0006654 GO:0008152 GO:0008970 GO:0009395 GO:0016020 GO:0016042 GO:0016787 GO:0030659 GO:0031410 GO:0036148 GO:0036149 GO:0036150 GO:0036151 GO:0036152 GO:0046872
6	0.06	0.363	5.27	0.09	0.45	5iz5B	GO:0004620 GO:0004622 GO:0004623 GO:0005737 GO:0005829 GO:0006629 GO:0006644 GO:0006654 GO:0008152 GO:0008970 GO:0009395 GO:0016020 GO:0016042 GO:0016787 GO:0030659 GO:0031410 GO:0036148 GO:0036149 GO:0036150 GO:0036151 GO:0036152 GO:0046872
7	0.06	0.347	5.50	0.08	0.44	5ixcA	GO:0004620 GO:0004622 GO:0004623 GO:0005737 GO:0005829 GO:0006629 GO:0006644 GO:0006654 GO:0008152 GO:0008970 GO:0009395 GO:0016020 GO:0016042 GO:0016787 GO:0030659 GO:0031410 GO:0036148 GO:0036149 GO:0036150 GO:0036151 GO:0036152 GO:0046872
8	0.06	0.346	5.58	0.08	0.44	5izrC	GO:0004620 GO:0004622 GO:0004623 GO:0005737 GO:0005829 GO:0006629 GO:0006644 GO:0006654 GO:0008152 GO:0008970 GO:0009395 GO:0016020 GO:0016042 GO:0016787 GO:0030659 GO:0031410 GO:0036148 GO:0036149 GO:0036150 GO:0036151 GO:0036152 GO:0046872
9	0.06	0.277	7.86	0.04	0.46	5aijA	GO:0016787 GO:0042802 GO:0046872 GO:0046983
10	0.06	0.250	7.88	0.03	0.42	4nnaA	GO:0003824 GO:0016740 GO:0019475 GO:0046872
11	0.06	0.249	7.25	0.04	0.39	5aecA	GO:0004497 GO:0016491 GO:0016705 GO:0055114
12	0.06	0.234	7.48	0.06	0.37	4qmkA	GO:0006629 GO:0008152
13	0.06	0.244	5.22	0.10	0.31	4rpmA	GO:0003824 GO:0008152 GO:0016740
14	0.06	0.233	7.67	0.08	0.38	4x6uA	GO:0004806 GO:0016787 GO:0046872
15	0.06	0.231	7.69	0.03	0.37	5hy5A	GO:0000166 GO:0016491 GO:0055114
16	0.06	0.211	7.74	0.06	0.34	3t5oA	GO:0001701 GO:0001970 GO:0002376 GO:0005576 GO:0005579 GO:0006955 GO:0006956 GO:0006958 GO:0019835 GO:0030449 GO:0045087 GO:0045766 GO:0045917 GO:0070062
17	0.06	0.243	8.10	0.05	0.41	4e0sB	GO:0001701 GO:0001970 GO:0002376 GO:0005576 GO:0005579 GO:0006955 GO:0006956 GO:0006958 GO:0019835 GO:0030449 GO:0045087 GO:0045766 GO:0045917 GO:0070062
18	0.06	0.183	7.13	0.05	0.28	1j93A	GO:0004853 GO:0006779 GO:0006782 GO:0009507 GO:0009536 GO:0015995 GO:0016829 GO:0016831

Consensus prediction of GO terms

Molecular Function	GO:0016740	GO:0005544	GO:0047498	GO:0008970	GO:0035035	GO:0005509	GO:0004622
GO-Score	0.06	0.06	0.06	0.06	0.06	0.06	0.06
Biological Processes	GO:0006629
GO-Score	0.34
Cellular Component	GO:0009279	GO:0016021	GO:0042588	GO:0005789	GO:0005794	GO:0005829	GO:0005634	GO:0005743	GO:0048471
GO-Score	0.15	0.15	0.06	0.06	0.06	0.06	0.06	0.06	0.06

(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.