I-TASSER results

I-TASSER results for job id Rv2414c

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

Input Sequence in FASTA format

>protein (514 residues)
MGFGASRLDVRLVPAALVSWIVTAAGIVWPIGNVCALCCVVVALGGGALWWCVARRSWHA
PRLGSISAGLVAVGMVGAGYGLAVALRSEAVDRHPITVAFGTSALVTVTPSESPVSLGRG
RLMFRATVQRLRDDETSGRVVVFARALDFGELMVGQPVQFRARISRPARHDLTVAVFNAT
GRPTVGRAGPVHRAAHIVRHRFAAAVREVLPADQATMLPALVLGDTSTVTALTSREFRAA
GLTHLTAVSGANVTIVCAAALVSARLIGPRAAVVCAAVALVAFVILVQPTASVLRAAVMG
AIALVGMLSARRRQAIPALSGSVLVLLAAAPHLAVDIGFALSVAATGALVVIAPVWSRRL
VDRGCPKVLADALAVAAAAQLVTAPLVAAISGRVSLVAVVANLAVAAVIAPITVLGSVAA
VLVVPWPAGAQVLIRFTGPEVWWVLRVAHWASGVPAATVPVAAGLPGVLLVGGATVFTVA
QWRWRWFRAAMCKTMAVAVICLLAWSLSGLVGPS

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MGFGASRLDVRLVPAALVSWIVTAAGIVWPIGNVCALCCVVVALGGGALWWCVARRSWHAPRLGSISAGLVAVGMVGAGYGLAVALRSEAVDRHPITVAFGTSALVTVTPSESPVSLGRGRLMFRATVQRLRDDETSGRVVVFARALDFGELMVGQPVQFRARISRPARHDLTVAVFNATGRPTVGRAGPVHRAAHIVRHRFAAAVREVLPADQATMLPALVLGDTSTVTALTSREFRAAGLTHLTAVSGANVTIVCAAALVSARLIGPRAAVVCAAVALVAFVILVQPTASVLRAAVMGAIALVGMLSARRRQAIPALSGSVLVLLAAAPHLAVDIGFALSVAATGALVVIAPVWSRRLVDRGCPKVLADALAVAAAAQLVTAPLVAAISGRVSLVAVVANLAVAAVIAPITVLGSVAAVLVVPWPAGAQVLIRFTGPEVWWVLRVAHWASGVPAATVPVAAGLPGVLLVGGATVFTVAQWRWRWFRAAMCKTMAVAVICLLAWSLSGLVGPS
Prediction	CCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCEEEEEEEEEEHCEEEHCCEEEEEEEEEEEHCCCCCCEEEEEEHCCCCCCCCCCCEEEEEEEEEHCCCCCCCEEEEEEEEHCEEHCCCCHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHCCCCCCCHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHCHHHHHCHHHHHHHHHHHHHHHHHHHHHHHHHHHCHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCC
Conf.Score	9888887653478999999999999999999999999999999999999999998766555678999999999999999999999888876556654445758999999975557767858999999998578765558999967776667899889999999968989986456665444445556657999999999999999999889767799999984788899999999999988577887788899999999999998756789999999999999999899878999999999999999999988789999999999999898888688799999999999999888888877756689999999999999999999999995876588999999999999999999999999999877899999999999999999999999979875444666569999999999999999877778899999999999999999865777899
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MGFGASRLDVRLVPAALVSWIVTAAGIVWPIGNVCALCCVVVALGGGALWWCVARRSWHAPRLGSISAGLVAVGMVGAGYGLAVALRSEAVDRHPITVAFGTSALVTVTPSESPVSLGRGRLMFRATVQRLRDDETSGRVVVFARALDFGELMVGQPVQFRARISRPARHDLTVAVFNATGRPTVGRAGPVHRAAHIVRHRFAAAVREVLPADQATMLPALVLGDTSTVTALTSREFRAAGLTHLTAVSGANVTIVCAAALVSARLIGPRAAVVCAAVALVAFVILVQPTASVLRAAVMGAIALVGMLSARRRQAIPALSGSVLVLLAAAPHLAVDIGFALSVAATGALVVIAPVWSRRLVDRGCPKVLADALAVAAAAQLVTAPLVAAISGRVSLVAVVANLAVAAVIAPITVLGSVAAVLVVPWPAGAQVLIRFTGPEVWWVLRVAHWASGVPAATVPVAAGLPGVLLVGGATVFTVAQWRWRWFRAAMCKTMAVAVICLLAWSLSGLVGPS
Prediction	7655342000000000200000000010122212111100000001001110101111212010000000000000000000000001111522203322443010202035333445311000102034165561201010104345145021012010101022134220000001112223324332023002200420151037304561000000000012440366025103400000000000000000000112202323320000000000020000001000000000000000001012131100000000000000000210001001000000000000021024212432012000000000000100000000130231013012202220332233333122012211232331110000000002000000210010110210001121011001100000121223332201000000000101200001112418
	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

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

Sec.Str
Seq

CCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCEEEEEEEEEEHCEEEHCCEEEEEEEEEEEHCCCCCCEEEEEEHCCCCCCCCCCCEEEEEEEEEHCCCCCCCEEEEEEEEHCEEHCCCCHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHCCCCCCCHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHCHHHHHCHHHHHHHHHHHHHHHHHHHHHHHHHHHCHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCC
MGFGASRLDVRLVPAALVSWIVTAAGIVWPIGNVCALCCVVVALGGGALWWCVARRSWHAPRLGSISAGLVAVGMVGAGYGLAVALRSEAVDRHPITVAFGTSALVTVTPSESPVSLGRGRLMFRATVQRLRDDETSGRVVVFARALDFGELMVGQPVQFRARISRPARHDLTVAVFNATGRPTVGRAGPVHRAAHIVRHRFAAAVREVLPADQATMLPALVLGDTSTVTALTSREFRAAGLTHLTAVSGANVTIVCAAALVSARLIGPRAAVVCAAVALVAFVILVQPTASVLRAAVMGAIALVGMLSARRRQAIPALSGSVLVLLAAAPHLAVDIGFALSVAATGALVVIAPVWSRRLVDRGCPKVLADALAVAAAAQLVTAPLVAAISGRVSLVAVVANLAVAAVIAPITVLGSVAAVLVVPWPAGAQVLIRFTGPEVWWVLRVAHWASGVPAATVPVAAGLPGVLLVGGATVFTVAQWRWRWFRAAMCKTMAVAVICLLAWSLSGLVGPS

5i6xA

0.11

0.10

0.94

1.02

MUSTER

IGYAVDLGNVWRFPYICAQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHISIWRKICPIFKGIGYAICIIAFYIASYYNTIMAWALYYLISSFTDQLPWTS-------CKNSWNTGNCTNYFSEDNITWTLHSTSPAEEFYTRHVLQIHRSKG--------LQDLGGISWQLYFSIWKGVKTSGKVVWVTATFPYIALSVLLVRGATLP----GAWRGVLFYLKPNWQKLLETGVWIDAAAQIFFSLGPGFGVLLAFASYNKFNNNCYQDALVTSVVNCMTSFVSGFVIFTVLGYMAEMREDVSEVAKDAGPSLLFITYAEAIANMPASTFFAIIFFLMLITLGLDSSFAGLEGVITAVLDEFPHVWAKRRERFVLAVVITCFFGSLVTLTFGGAYVVKLLEEYATGPAVLTVALIEAVAVSWFYGITQFCRDVKEML-WFWRICWVAISPLQLRLFQYNYPYWSIILGYAIGTSSF----------ICIPTYIAYRLIIFKERIIKSITPE

5aymA

0.10

0.08

0.76

0.98

dPPAS

LRIETQLLLGRLLTRSGDQAWDFVVPFALLVILQVAAFYYLIVKIGTFLLTPSSGKWIDTHPRIQVVKWGVWLQFFAILAGMVFFGMLDGLVR-------------------------------------------------------------------------------------------AGGRESWLLSVLFIALALSGVMASLGSQITDISVGNDLAPSLVAPEKLTHFNSWLRRIDLATEVGAPILAGALFPLAGLFLIGLWNLVSFVPEYFLLRNVIQRSGLLGSFSDPIFWLILSYALLWLSVLSPHGVLLAAYLKDEMRLPETEIGLFRGLGAVFGLISTVSFPYLVRRLG-----LISSSRWHLGFQGVTLGIAVTAFAMGSTASVYVFLGCILLSRVGLYGFSNGEFELRQRLIPEGRRGELNSLSSLTTTSATLILFSAGS---LLPQTEDFKYLVYVSLAAVLLANVVFIKWSSR-------------------------

5aymA

0.12

0.09

0.74

0.87

wdPPAS

SG-------DQAWDFVVPFALLVIFP---GKLQVAAFYYLIVKIGTFLLTPSSGKWIDTHPRIQVVKWGVWLQFFAILAGMVFFGMLDGLVRAGGRESWL---------------------------------------LSVL----------------------------------------------FIALALSGVMASLGSQITDIS--VGNDLAPSLV--APEKLTNSWLRRIDLATEVGAPILAGALFPLAGLFLIGLWNLVSFVPEYFLLRNVIQRSGLKIKVL-GSFSDPIFWLILSYALLWLSVLSPHGVLLAAYLKDEM---LPETEIGLFRGLGAVFGLISTVSFPYLVRRLG-----LISSSRWHLGFQGVTLGIAVTAFGSTASVYVFLGCILLSRVGLYGFSNGEFELRQRLIPEGRRGELNSLSSLTTTSATLILFSAG---SLLPQTEDFKYLVYVSLAAVLLANVVFIKWSSR-------------------------

5aymA

0.14

0.10

0.73

1.12

wMUSTER

LGRLLTRSGDQAWDFVVPFALLVIFP----KLQVAAFYYLIVKIGTFLLTPSSGKWIDTHPRIQVVKWGVWLQFFAILAGMVFFGMLDGLVRAGGRESW-------------------------------------------------------------------------------------LLSVLFIALALSGVMASLGSQITDIS--VGNDLAPSLV-------APE---KLTHF--SWLRRIDLATEVGAPILAGALFPLAGLFLIGLWNLVSFVPEYFLL---RNVIQRPIFWLILSYALLWLSVLSPHGVLLAAYLKDEMRLPETEIGLFRGLGAVFGLISTVSFPYLVRRLG-------LISSSRWHLGFQGVTLGIAVTAFGSTASVYVFLGCILLSRVGLYGFSNGEFELRQRLIPEGRRGELNSLSSLTTTSATLILFSAG---SLLPQTEDFKYLVYVSLAAVLLANVVFIKWSSR-------------------------

3wajA1

0.10

0.07

0.73

1.12

wPPAS

-------------------------------------------------------------------SVLVIAALISVKLRILNPWNSVFTWTVRLGG------LIENTIHNFPHRI-----------------------------DPFTYYPYGSYTH-----FGP-SATSGESLRA--------VLAFIPAIGGVLAILPVYLLTREVFDKRAAVIAAFLIA----IVP--GQFLQRSGFHHIWEAFWQVSALGTFLLAYNRWKTARQMAYPVIAGITIGLYVLSWGAGFIIAPIILAFMFFAFVLAGFVNADRKNLSLVAVVTFAVSPFAFNYPGFSTIFYSPFQLLVLLGSAVIAAAFYQIEKWNDVGFFERVGLGRKGMPLAVIVL--TALIMGLFFVLTNAVLHFALFFFGMAGILYSAYRFL-------FPEMALLIWAIAMFIALWGQN------FAAVSAVYSALALSVVFDKLHFRVAFALLIALAAIYPTYILADAQSSYAGG

5aymA

0.12

0.09

0.74

1.50

dPPAS2

SG-------DQAWDFVVPFALLVIFP---GKLQVAAFYYLIVKIGTFLLTPSSGKWIDTHPRIQVVKWGVWLQFFAILAGMVFFGMLDGLVRAGGRESWLLSVL-------------------------------------------------------------------------------------FIALALSGVMASLGSQITDIS--VGNDLAPSLV--APEKL-THFNSWLRRIDLATEVGAPILAGALFPLAGLFLIGLWNLVSFVPEYFLLRNVIQRSGLKVLGSFSDPIFWLILSYALLWLSVLSPHGVLLAAYLKDEMRLPETEIGLFRGLGAVFGLISTVSFPYLVRRLG-----LISSSRWHLGFQGVTLGIAVTAFAMGSTASVYVFLGCILLSRVGLYGFSNGEFELRQRLIPEGRRGELNSLSSLTTTSATLILFSAGS---LLPQTEDFKYLVYVSLAAVLLANVVFIKWSSR-------------------------

5aymA

0.11

0.08

0.74

1.40

PPAS

LTR------DQAWDFVVPFALLVIFP---GKLQVAAFYYLIVKIGTFLLTPSSGKWIDTHPRIQVVKWGVWLQFFAILAGMVFFGMLDGLVRAGGRESWLLSVL-------------------------------------------------------------------------------------FIALALSGVMASLGSQITDIS--VGNDLAPSLVAPEK----THFNSWLRRIDLATEVGAPILAGALFPLAGLFLIGLWNLVSFVPEYFLLRNVIQRSGLKVLGSFSDPIFWLILSYALLWLSVLSPHGVLLAAYLKDEMRLPETEIGLFRGLGAVFGLISTVSFPYLVRRL------LISSSRWHLGFQGVTLGIAVTAFAMGSTASVYVFLGCILLSRVGLYGFSNGEFELRQRLIPEGRRGELNSLSSLTTTSATLILFSAGS---LLPQTEDFKYLVYVSLAAVLLANVVFIKWSSR-------------------------

2r6gF

0.11

0.09

0.86

1.18

Env-PPAS

--------DLKWSVLGLLGLLVGYLVVLMYAQGEYLFAITTLILSSAGLYIFANRKAYAWRYVYPGMAGMGLFVLFPLVCTIAIALTFERAQEVLLDR-----SWQAGKTYNFGLYPAGDEWQLALSD------GETGKNYLSDAFK----FGGEQKLQLKETTAQPEGERAN------------------LRVITQNRQALSDI-TAILPDGNKVMMSSLLDGDGTLTNNQSGVKYRPNNIGFYQSINWGDEKLSPGYTVTVFTDEGIQKPFLAIFVWTVVFSLIT---VFLTVAVGMVLACLVQWEALR----GKAVYRVLLILPYAVPSFISILIFKGLFNQSFGEINMMLSALFGVKPAWFSDPTTARTMLIIVNTWLGYPYMMILCMAIPPFQNFFKIT-LPLLIKPLTPLMIASFAFNFNN-------------FVLIQLLTNG---GPDRLGTTTPAGYTDLLVNYTYRIAFEGGGGQDFGLAAAIATLIFLLVGALAIV-------

5aymA

0.12

0.09

0.74

1.00

MUSTER

LRIETQLLLGRLLTRSGDQAWDFVVPFALLVIFLQVAAFYYLIVKIGTFLLTPSSGKWIDPRIQVVKWGVWLQFFAILAGMVFFGMLDGLVRAGGRESW-------------------------------------------------------------------------------------LLSVLFIALALSGVMASLGSQITDIS--VGNDLAPSLV----AP------EKLTHF--SWLRRIDLATEVGAPILAGALFPLAGLFLIGLWNLVSFVPEYFLL---RNVIQRPIFWLILSYALLWLSVLSPHGVLLAAYLKDEMRLPETEIGLFRGLGAVFGLISTVSFPYLVRRLG-----LISSSRWHLGFQGVTLGIAVTAFAMGSTASVYVFLGCILLSRVGLYGFSNGEFELRQRLIPEGRRGELNSLSSLTTTSATLILFSAGS---LLPQTEDFKYLVYVSLAAVLLANVVFIKWSSR-------------------------

4k1cA

0.08

0.06

0.73

0.95

dPPAS

-------------------------TAWRAAVYDLQYILKASPLNFLLVFVPLGLIWGHFQLSHTLTFLFNFLAIIPLAAILANATEELADKAG---------------------------------------------------------------------------------------------------------NTIGGLLNATFGNAVELIVSIIAL--KKGQVRIVQASMLGSLLSNLLLVLGLCFIFGGYNRVQQTFNQTAAQTMSSLLAIACASLLIPAAFRATLPFIDGKILELSRGTS-----IVILIVYVLFLYFQLGSHHALFEQQEEETDEVMSTISRNPHHSLSVKSSLVILLGTTVIISFCADFLVGTIDNVVESTGLSKTFIGLIVIPIVGNAAEHVTSVLVAMKDKMDLALGVAIGSSLQVALFVTPFMVLVGWMIDVPMTLNFSTFETATLFIAVFLSNYLILDGESNWLEGVMSLAMYILIAMAFFYYPDE---

(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=-1.50

Estimated TM-score = 0.53±0.15

Estimated RMSD = 10.9±4.6Å

Download Model 2

C-score=-2.75

Download Model 3

C-score=-2.08

Download Model 4

C-score=-3.28

Download Model 5

C-score=-3.06

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	5i6xA	0.912	1.83	0.104	0.951
2	4m48A	0.878	2.34	0.108	0.936
3	2q6hA	0.771	3.55	0.080	0.875
4	4us3A	0.678	3.38	0.113	0.774
5	4djiA	0.620	4.62	0.106	0.778
6	3gi9C	0.607	4.65	0.081	0.761
7	3l1lA	0.596	4.40	0.084	0.735
8	2jlnA	0.573	4.19	0.094	0.691
9	4wgvA	0.560	4.49	0.055	0.698
10	3dh4A	0.555	5.66	0.080	0.759

(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	27	4mm9A	FVX	Rep, Mult	3,4,6,73,76,77,79,80,247,248,250,253,349,350,353,404
2	0.12	16	2a65A	LEU	Rep, Mult	3,4,6,7,8,9,80,247,248,250,253,349,353
3	0.06	9	3gwvA	RFX	Rep, Mult	7,11,12,80,83,313,314,400,401,404
4	0.05	7	3tt1B	NA	Rep, Mult	2,3,5,6,344,345,346,348,349
5	0.05	7	4xptA	Y01	Rep, Mult	34,38,270,444
6	0.02	3	5i73A	68P	Rep, Mult	12,243,244,247,404,405,410,413
7	0.02	3	2htlA	BR	Rep, Mult	249,250,254
8	0.01	1	3gjdA	BOG	Rep, Mult	35,442,444,447
9	0.01	1	2wieA	CVM	Rep, Mult	256,260
10	0.01	1	3pyrI	MG	Rep, Mult	218,221
11	0.01	1	2plyA	MG	Rep, Mult	295,309
12	0.01	2	4xp4A	Y01	Rep, Mult	33,38,278,282,285,443,444
13	0.01	1	1shkA	MG	Rep, Mult	238,239,241
14	0.01	1	2bf0X	CA	Rep, Mult	373,376
15	0.01	2	2qqdD	PYR	Rep, Mult	248,249

	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	1r1jA	0.283	7.95	0.024	0.490	3.4.24.11	NA
2	0.060	2c6fA	0.305	7.26	0.048	0.482	3.4.15.1	NA
3	0.060	3dwbA	0.318	7.70	0.043	0.537	3.4.24.71	NA
4	0.060	3l4uA	0.334	7.65	0.031	0.560	3.2.1.20,3.2.1.3	NA
5	0.060	1qleA	0.305	6.85	0.056	0.477	1.9.3.1	NA
6	0.060	1n1hA	0.323	7.90	0.062	0.551	2.7.7.48	NA
7	0.060	2r7oA	0.324	7.74	0.023	0.537	2.7.7.48	259,355,359
8	0.060	1w4xA	0.317	6.93	0.047	0.488	1.14.13.92	39
9	0.060	3hmjA	0.310	7.72	0.041	0.517	2.3.1.86	NA
10	0.060	2a3lA	0.324	7.80	0.028	0.541	3.5.4.6	294
11	0.060	2pffD	0.318	7.74	0.050	0.539	2.3.1.86	NA
12	0.060	2vdcA	0.310	7.54	0.056	0.506	1.4.1.13	NA
13	0.060	2pffA	0.310	7.60	0.050	0.514	2.3.1.41,2.3.1.86	NA
14	0.060	2ivfA	0.316	7.44	0.058	0.516	1.17.99.2	NA
15	0.060	2b3xA	0.331	7.16	0.035	0.521	4.2.1.3	208
16	0.060	2g3mF	0.306	7.92	0.039	0.527	3.2.1.20	NA
17	0.060	1jqnA	0.311	7.37	0.037	0.494	4.1.1.31	161
18	0.060	1dmrA	0.290	7.33	0.044	0.469	1.7.2.3	413
19	0.060	2ow6A	0.312	7.75	0.047	0.527	3.2.1.114	92

(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	0.33	0.912	1.83	0.10	0.95	5i6xA	GO:0001666 GO:0005328 GO:0005335 GO:0005768 GO:0005829 GO:0005886 GO:0005887 GO:0006810 GO:0006836 GO:0006837 GO:0007268 GO:0007420 GO:0007584 GO:0007613 GO:0007623 GO:0008504 GO:0009636 GO:0010008 GO:0010033 GO:0010628 GO:0012505 GO:0015222 GO:0015293 GO:0015844 GO:0016020 GO:0016021 GO:0017022 GO:0017075 GO:0017137 GO:0019811 GO:0021794 GO:0021941 GO:0032227 GO:0032355 GO:0035176 GO:0042310 GO:0042493 GO:0042713 GO:0042803 GO:0043005 GO:0045121 GO:0045665 GO:0045787 GO:0046621 GO:0046872 GO:0048854 GO:0050998 GO:0051015 GO:0051259 GO:0051260 GO:0051610 GO:0055085 GO:0071300 GO:0071310 GO:0071321 GO:0098793
1	0.30	0.878	2.42	0.10	0.94	4xp9C	GO:0005328 GO:0005329 GO:0005330 GO:0005886 GO:0005887 GO:0006810 GO:0006836 GO:0015293 GO:0015872 GO:0016020 GO:0016021 GO:0019811 GO:0030431 GO:0042745 GO:0043005 GO:0046872 GO:0051583 GO:0055085 GO:0072488 GO:0098793 GO:0099509 GO:1990834
2	0.23	0.771	3.55	0.08	0.88	2q6hA	GO:0005215 GO:0005328 GO:0005887 GO:0006810 GO:0006836 GO:0015293 GO:0016020 GO:0016021 GO:0055085
3	0.09	0.678	3.38	0.11	0.77	4us3A	GO:0005328 GO:0006810 GO:0006836 GO:0015293 GO:0016020 GO:0016021 GO:0055085
4	0.07	0.620	4.62	0.11	0.78	4djiA	GO:0003333 GO:0005886 GO:0005887 GO:0006810 GO:0006865 GO:0015171 GO:0015179 GO:0015297 GO:0015807 GO:0016020 GO:0016021 GO:0051454 GO:1902475
5	0.07	0.623	4.14	0.10	0.76	3ob6B	GO:0003333 GO:0005886 GO:0005887 GO:0006810 GO:0006865 GO:0015171 GO:0015179 GO:0015181 GO:0015297 GO:0015807 GO:0016020 GO:0016021 GO:0051454 GO:1902475 GO:1903826
6	0.07	0.607	4.65	0.08	0.76	3gi9C	GO:0003333 GO:0005886 GO:0005887 GO:0015171 GO:0015179 GO:0015297 GO:0015807 GO:0016020 GO:0016021 GO:1902475
7	0.07	0.596	4.03	0.10	0.72	3lrbA	GO:0003333 GO:0005886 GO:0006810 GO:0006865 GO:0015171 GO:0015297 GO:0016020 GO:0016021
8	0.06	0.274	7.64	0.05	0.46	3jysA	GO:0046872
9	0.06	0.287	7.32	0.08	0.46	4z3nA	GO:0006855 GO:0015238 GO:0015297 GO:0016020 GO:0016021 GO:0055085
10	0.06	0.233	7.90	0.03	0.40	3r05A	GO:0005886 GO:0007155 GO:0016020 GO:0016021 GO:0030054 GO:0042734 GO:0045202 GO:0046872 GO:0097109
11	0.06	0.203	6.08	0.03	0.29	1t8tB	GO:0000139 GO:0005794 GO:0006024 GO:0008146 GO:0008467 GO:0016020 GO:0016021 GO:0016740 GO:0033872
12	0.06	0.200	6.83	0.05	0.31	4kl8S	GO:0008901 GO:0009375 GO:0016491 GO:0033748 GO:0042597 GO:0046872 GO:0051536 GO:0051539 GO:0055114
13	0.06	0.180	6.33	0.03	0.26	1gq8A	GO:0005576 GO:0005618 GO:0016787 GO:0030599 GO:0042545 GO:0045330 GO:0045490 GO:0071555
14	0.06	0.108	4.86	0.02	0.14	5dclA	GO:0000160 GO:0003677 GO:0005622 GO:0006351 GO:0006355
15	0.06	0.121	5.90	0.04	0.17	2kytA	GO:0004623 GO:0005737 GO:0005783 GO:0005829 GO:0006629 GO:0006644 GO:0008654 GO:0008970 GO:0016020 GO:0016021 GO:0016042 GO:0016787 GO:0036149 GO:0036150 GO:0036151 GO:0036152 GO:0045786 GO:0048471 GO:0052739 GO:0052740
16	0.06	0.132	4.47	0.04	0.16	1ijyA	GO:0000122 GO:0001525 GO:0001934 GO:0004871 GO:0004888 GO:0004930 GO:0005102 GO:0005576 GO:0005794 GO:0005886 GO:0007165 GO:0007166 GO:0007186 GO:0007275 GO:0016020 GO:0016021 GO:0016055 GO:0017147 GO:0030165 GO:0031625 GO:0033077 GO:0035567 GO:0042813 GO:0043507 GO:0045944 GO:0060070 GO:1990851
17	0.06	0.101	4.12	0.04	0.12	2ejeA	GO:0000981 GO:0003677 GO:0003700 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0006351 GO:0006355 GO:0006357 GO:0006366 GO:0006367 GO:0007165 GO:0014886 GO:0016020 GO:0016525 GO:0042995 GO:0043025 GO:0051019 GO:0051481
18	0.06	0.105	4.68	0.02	0.13	2r2cA	GO:0004553 GO:0005975

Consensus prediction of GO terms

Molecular Function	GO:0046872	GO:0019811	GO:0050998	GO:0017075	GO:0042803	GO:0017022	GO:0005335	GO:0051015	GO:0017137	GO:0005330
GO-Score	0.53	0.53	0.33	0.33	0.33	0.33	0.33	0.33	0.33	0.30
Biological Processes	GO:0007613	GO:0035176	GO:0071300	GO:0042713	GO:0048854	GO:0032227	GO:0001666	GO:0010628	GO:0051610	GO:0021941	GO:0051260	GO:0071321	GO:0007584	GO:0032355	GO:0021794	GO:0042493	GO:0042310	GO:0046621	GO:0045665	GO:0045787	GO:0009636	GO:0051583	GO:0099509	GO:0072488	GO:0042745	GO:0030431	GO:1990834
GO-Score	0.33	0.33	0.33	0.33	0.33	0.33	0.33	0.33	0.33	0.33	0.33	0.33	0.33	0.33	0.33	0.33	0.33	0.33	0.33	0.33	0.33	0.30	0.30	0.30	0.30	0.30	0.30
Cellular Component	GO:0005887	GO:0098793	GO:0043005	GO:0010008	GO:0005829	GO:0045121
GO-Score	0.66	0.53	0.53	0.33	0.33	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.