I-TASSER results

I-TASSER results for job id Rv1430

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

Input Sequence in FASTA format

>protein (528 residues)
MSFVFAVPEMVAATASDLASLGAALSEATAAAAIPTTQVLAAAADEVSAAIAELFGAHGQ
EFQALSAQASAFHDRFVRALSAAAGWYVDAEAANAALVDTAATGASELGSGGRTALILGS
TGTPRPPFDYMQQVYDRYIAPHYLGYAFSGLYTPAQFQPWTGIPSLTYDQSVAEGAGYLH
TAIMQQVAAGNDVVVLGFSQGASVATLEMRHLASLPAGVAPSPDQLSFVLLGNPNNPNGG
ILARFPGLYLQSLGLTFNGATPDTDYATTIYTTQYDGFADFPKYPLNILADVNALLGIYY
SHSLYYGLTPEQVASGIVLPVSSPDTNTTYILLPNEDLPLLQPLRGIVPEPLLDLIEPDL
RAIIELGYDRTGYADVPTPAALFPVHIDPIAVPPQIGAAIGGPLTALDGLLDTVINDQLN
PVVTSGIYQAGAELSVAAAGYGAPAGVTNAIFIGQQVLPILVEGPGALVTADTHYLVDAI
QDLAAGDLSGFNQNLQLIPATNIALLVFAAGIPAVAAVAILTGQDFPV

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MSFVFAVPEMVAATASDLASLGAALSEATAAAAIPTTQVLAAAADEVSAAIAELFGAHGQEFQALSAQASAFHDRFVRALSAAAGWYVDAEAANAALVDTAATGASELGSGGRTALILGSTGTPRPPFDYMQQVYDRYIAPHYLGYAFSGLYTPAQFQPWTGIPSLTYDQSVAEGAGYLHTAIMQQVAAGNDVVVLGFSQGASVATLEMRHLASLPAGVAPSPDQLSFVLLGNPNNPNGGILARFPGLYLQSLGLTFNGATPDTDYATTIYTTQYDGFADFPKYPLNILADVNALLGIYYSHSLYYGLTPEQVASGIVLPVSSPDTNTTYILLPNEDLPLLQPLRGIVPEPLLDLIEPDLRAIIELGYDRTGYADVPTPAALFPVHIDPIAVPPQIGAAIGGPLTALDGLLDTVINDQLNPVVTSGIYQAGAELSVAAAGYGAPAGVTNAIFIGQQVLPILVEGPGALVTADTHYLVDAIQDLAAGDLSGFNQNLQLIPATNIALLVFAAGIPAVAAVAILTGQDFPV
Prediction	CCEEHCCHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHCCCCCCCCCCEEHCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHCCCCCCEEEEEHCHHHHHHHHHHHHHHHCCCCCCCCCCEEEEEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEEEHCCCCCCCCCCCCCCHHHHHHHHHHHHHHCCCCCCCCHHHCCCCCEEEHCCCCCCEEEEEHCCCCCCCHHHHHHHCCHHHHHHHCCCCCEEEHCCCCCCCCCCCCCCEHCCCCCCCCHHHHHHHHHHHCCHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHCCHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHCCCCCC
Conf.Score	976764579999999999999999999987654554444566655678999999999989888998899999999999999755554345666655555555566555566666666788888998757888888775567788876545568765567778888775467999999999999998689996899997678999999999999878899998654899998799999887544688765777889899999999975899985898767899986558999999999987656677899776777755555578886689998699998578888767767888756554445536899999999987656478888854556778876455445555555457888988888888788887655666667888766766555555566444566667786567888889998757868888765577775456777788999999999985677889
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MSFVFAVPEMVAATASDLASLGAALSEATAAAAIPTTQVLAAAADEVSAAIAELFGAHGQEFQALSAQASAFHDRFVRALSAAAGWYVDAEAANAALVDTAATGASELGSGGRTALILGSTGTPRPPFDYMQQVYDRYIAPHYLGYAFSGLYTPAQFQPWTGIPSLTYDQSVAEGAGYLHTAIMQQVAAGNDVVVLGFSQGASVATLEMRHLASLPAGVAPSPDQLSFVLLGNPNNPNGGILARFPGLYLQSLGLTFNGATPDTDYATTIYTTQYDGFADFPKYPLNILADVNALLGIYYSHSLYYGLTPEQVASGIVLPVSSPDTNTTYILLPNEDLPLLQPLRGIVPEPLLDLIEPDLRAIIELGYDRTGYADVPTPAALFPVHIDPIAVPPQIGAAIGGPLTALDGLLDTVINDQLNPVVTSGIYQAGAELSVAAAGYGAPAGVTNAIFIGQQVLPILVEGPGALVTADTHYLVDAIQDLAAGDLSGFNQNLQLIPATNIALLVFAAGIPAVAAVAILTGQDFPV
Prediction	311000101201000310340220021011000100010133221100100000001003201000210221132013102101301220322232223232222221122223222223222321222103212321121221313120011011011021143231432123015202510353334523000000000010003003401743544413322000000000212200010212101000000002211152302000000000000000210000001100010000002202413153036214241436524010000106301001002300242004102440311001001153224100001011241321311340142042124313421541354424434444144243423434244434341242341133112213512021010202201300330142104001300312101200000101001000000002346147
	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

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

Sec.Str
Seq

CCEEHCCHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHCCCCCCCCCCEEHCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHCCCCCCEEEEEHCHHHHHHHHHHHHHHHCCCCCCCCCCEEEEEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEEEHCCCCCCCCCCCCCCHHHHHHHHHHHHHHCCCCCCCCHHHCCCCCEEEHCCCCCCEEEEEHCCCCCCCHHHHHHHCCHHHHHHHCCCCCEEEHCCCCCCCCCCCCCCEHCCCCCCCCHHHHHHHHHHHCCHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHCCHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHCCCCCC
MSFVFAVPEMVAATASDLASLGAALSEATAAAAIPTTQVLAAAADEVSAAIAELFGAHGQEFQALSAQASAFHDRFVRALSAAAGWYVDAEAANAALVDTAATGASELGSGGRTALILGSTGTPRPPFDYMQQVYDRYIAPHYLGYAFSGLYTPAQFQPWTGIPSLTYDQSVAEGAGYLHTAIMQQVAAGNDVVVLGFSQGASVATLEMRHLASLPAGVAPSPDQLSFVLLGNPNNPNGGILARFPGLYLQSLGLTFNGATPDTDYATTIYTTQYDGFADFPKYPLNILADVNALLGIYYSHSLYYGLTPEQVASGIVLPVSSPDTNTTYILLPNEDLPLLQPLRGIVPEPLLDLIEPDLRAIIELGYDRTGYADVPTPAALFPVHIDPIAVPPQIGAAIGGPLTALDGLLDTVINDQLNPVVTSGIYQAGAELSVAAAGYGAPAGVTNAIFIGQQVLPILVEGPGALVTADTHYLVDAIQDLAAGDLSGFNQNLQLIPATNIALLVFAAGIPAVAAVAILTGQDFPV

4ut1A

0.14

0.13

0.95

0.83

MUSTER

GSSLSTYYTLVAQLNNYVAGIATAITNYFTGLQTAADPSARQTAMSNAQTLASQLVAAGQQYSQLRQSVNSQLTDTVTQINSYTSQIAQLNEQIASASSPSQLAGVQVVQSNGNYSVFLSGGQPLVVGNASYQLA--TVASPSDPSELTIVSKGVAGSAQPGPTQYLPDVSLTGGALGGLLAFRSQTLDP---AQAQLGALAVSFASQVNAQNALGVDMSGNPGGSLFAV----GAPAVYANQNNTGSATLSVSFVDGTQPTTS-----DYALSYDGAKYTLTDRAT---------GSVVGTATPSSTPPTMTIGGLKLSLSSTNAGDSFTVLPTRG--ALDGFSLATANGSAIAAASPVLAAGVATNSGTGVISQGSVSAGYQLPSGTTTLAYNLSGFPVGTTVTIAGTPPTSINITSATTPVPYDPSKGASMTISSTTQPAPSGVMNGVSVSLSGTPAIGANKGTNDGRNALALSQLVNSTMNNGTTTLTGAYAG-YVNAIGNAASQLKASSAAQTALVGQQQ--V

5gaoE

0.12

0.08

0.64

0.89

dPPAS

---------------------------------------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA---AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA---------------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAARAAAAAAAAAAAAAAAAAAAAA-----AAAAAAAAAAAAAAAAAAAAAAAAAATTKEAYKKLSQKFHGTKSNKK--------------------------------------------------------------------------------------------------------------------

3ajaA

0.18

0.08

0.45

1.68

wdPPAS

------------------------------------------------------------------------------------------------ADCPDVMMVSIPGTWESSPTDDPFNPTQFPLSLMSNISKPLAEQFGPDRLQVYTTPYTAQFHNFAADKQMSYNDSRAEGMRTTVKAMTDMNCPLTSYVIAGFSQGAVIAGDIASDIGN-GRGPVDEDLVLGVTLIADGRRQMGVGQDVGPNPAGQGAGLTMTGPRPGGDNRTNQICGSGDLICSAPEQAFSVFNLPKTLETLSPVHALYNTPQFWVENGQTATQ------EWARNLVENAPHP---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

4ut1A

0.14

0.13

0.94

0.75

wMUSTER

GSSLSTYYTLVAQLNNYVAGIATAITNYFTGLQTAADPSARQTAMSNAQTLASQLVAAGQQYSQLRQSVNSQLTDTVTQINSYTSQIAQASASSPLAVSKLSQLAGVQVVQSGNYSVFLSGGQPLVVGNASYQLA--TVASPSDPSELTIVSKGVAGSAQPGPTQYLPDVSLTGGALGGLLAFRSQTLDPAQL-----GALAVSFASQVNAQNALGVDMSGNPGGSLFAV----GAPAVYANQNNTGSATLSVSFVDGTQPTTS-----DYALSYDGAKYTLTDRAT---------GSVVGTATPSSTPPTMTIGGLKLSLSSTNAGDSFTVLPTRG--ALDGFSLATANGSAIAAASPVLAAGVATNSGTGVISQGSVSAGYQLPSGTTTLAYNASKTLSGFPVGTTVTIAGTPPTTSATTPVPYDPSKGASMTISSTTQPAPSGVMNGVSVSLSGTPAIGANKGTNDGRNALALSQLVNSTMNNGTTTLTGAYA--YVNAIGNAASQLKASSAAQTALVGQQQ--V

3ajaA

0.24

0.10

0.44

1.77

wPPAS

-----ADPDVMVSIP------GTWESSPTDDPFNPT-QFPLSLMSNISKPLAEQFGP--------------------------------------------------------------------------------------DRLQVYTTPYTAQFHPFAADKQMSYNDSRAEGMRTTVKAMTDMNCPLTSYVIAGFSQGAVIAGDIASDIGN-GRGPVDEDLVLGVTLIADGRRQMGVGQDVGPNPALSALGLTMTGPRPGGDNRTNQICGSGDLICSAPEQAFSVFNLPKTLETLSPVHALYNTPQFWVENGQTA---------TQWTLVENAPHP---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

3ajaA

0.19

0.08

0.43

1.63

dPPAS2

------------------------------------------------------------------------------------------------ADCPDVMMVSIPGTWESSPTDDPFNPTQFPLSLMSNISKPLAEQFGPDRLQVYTTPYTAQFHPFAADKQMSYNDSRAEGMRTTVKAMTDMNCPLTSYVIAGFSQGAVIAGDIASDIGN-GRGPVDEDLVLGVTLIADGRRQMGVGQDVGPNPAGQGAGLTMTGPRPGGDNRTNQICGSGDLICSAPFSVFNLPKTLETLSG--PVHALYNTPQFWVENGQTATQENAPHP----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

3ajaA

0.21

0.09

0.43

1.24

PPAS

------------------------------------------------------------------------------------------------ADCPDVMMVSIPGTWESSPTDDPFNPTQFPLSLMSNISKPLAEQFGPDRLQVYTTPYTAQFHPFAADKQMSYNDSRAEGMRTTVKAMTDMNCPLTSYVIAGFSQGAVIAGDIASDIGN-GRGPVDEDLVLGVTLIADGRRQMGVGQDVGPNPALSALGLTMTGPRPGGDNRTNQICGSGDLICSAPFSVFNLPKTLETLSGP--VHALYNTPQFWVENGQTATQ-----------LVENAPHP---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

3ajaA

0.19

0.09

0.45

1.26

Env-PPAS

------------------------------------------------------------------------------------------------ADCPDVMMVSIPGTWESSPTDDPFNPTQFPLSLMSNISKPLAEQFGPDRLQVYTTPYTAQFHPFAADKQMSYNDSRAEGMRTTVKAMTDMNCPLTSYVIAGFSQGAVIAGDIASDIGNGR-GPVDEDLVLGVTLIADGRRQMGVGQDVGPNPALSALGLTMTGPRPGGDNRTNQICGSGDLICSAPEQAFSVFNLPKTLETLSGVHALYNTPQ--------------------FWVEN--------------GQTATQWTLEWARNLVE---------NAPHP-----------------------------------------------------------------------------------------------------------------------------------------------------

4iv9A

0.10

0.09

0.93

0.74

MUSTER

SP----SIDILYDYGPFLKKCEMTGGIGSYSAGTPTPRVA------VGAGISGLVAATELLRAGV-------------------KDVVLYESRDR--IGGRVWSQVFDQTRPRYIAEMGAMRFPPSATGLFHYLKKFGISFPDPGVVDTELHYRGKRYHWPAGKKPP--ELFRRVYEGWQSLLSEGYLLEGGSLVAPLDITAMLKSGRLEEAAIAWQRDCSFYNAIVCIFTGRHPPGGDRWARPEDFELFGSLGIGSGGFLPVFQAGFTEILRMVINGYQSDQRLIPISSLAARLADLRDRVCFSRVGRISREAEKIIIQTEAGEQRVFDRVIVTSSNRAMQMIHCLTSRDVARAVR-ETHSKLFILTRTKFWIKNKLPTTIQSDGLVRGVYCLDYQPDEPEGHGTWEDDAQKMLAMPDKKTRCQVLVDDLAAIHPTFASYLLPVDGDYERYVLHLTDPHSAGAFKLNYPGEDVYSQRLFFQPMTANSPNKDTGL-SFAGGWIEGAVQTALNSACAVLRSTLSKGNPL

3ajaA

0.19

0.08

0.45

0.80

dPPAS

------------------------------------------------------------------------------------------------ADCPDVMMVSIPGTWESSPTDDPFNPTQFPLSLMSNISKPLAEQFGPDRLQVYTTPYTAQFHPFAADKQMSYNDSRAEGMRTTVKAMTDMNCPLTSYVIAGFSQGAVIAGDIASDIGN-GRGPVDEDLVLGVTLIADGRRQMGVGQDVGPNPAGQGAGLTMTGPRPGGDNRTNQICGSGDLICSAPFSVFNLPKTLETLSGPVHALYNTPQFWVENGQTATQWTLEWARN-----LVENAPHP---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

(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 1 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=0.24

Estimated TM-score = 0.74±0.11

Estimated RMSD = 6.9±4.1Å

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	4ut1A	0.919	1.63	0.129	0.951
2	2d4yA	0.696	2.18	0.100	0.737
3	5dotA	0.358	6.90	0.032	0.549
4	5d06A	0.353	7.25	0.040	0.561
5	2y8nA	0.346	7.39	0.050	0.557
6	2p7nA	0.345	5.61	0.055	0.470
7	5a22A	0.342	7.93	0.041	0.581
8	3g61A	0.338	6.94	0.043	0.509
9	5i2aA	0.337	7.95	0.037	0.576
10	3saeA	0.337	8.03	0.057	0.585

(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	0.10	5	4sbvA	CA	Rep, Mult	276,280
2	0.06	3	1y66A	DIO	Rep, Mult	47,51
3	0.04	2	1cm5A	NA	Rep, Mult	205,206,207,212
4	0.02	1	2wsc4	CLA	Rep, Mult	197,200
5	0.02	1	1q23A	CA	Rep, Mult	94,95
6	0.02	1	2axtD	CLA	Rep, Mult	55,341
7	0.02	1	3esbA	NXC	Rep, Mult	119,120,199,200,286,288,302,303
8	0.02	1	1h18B	DTL	Rep, Mult	190,192,195,200
9	0.02	1	5ebzA	5TH	Rep, Mult	52,210
10	0.02	1	2j9tA	BO3	Rep, Mult	27,28,32,46,47,50
11	0.02	1	2q6qA	CO	Rep, Mult	70,74
12	0.02	1	3dd5B	DEP	Rep, Mult	120,162,199,200
13	0.02	1	2obeB	2HP	Rep, Mult	202,207,226,228
14	0.02	1	1ww1B	ZN	Rep, Mult	169,276,302
15	0.02	1	4kanB	DZY	Rep, Mult	200,204
16	0.02	1	2v8vD	URP	Rep, Mult	259,287
17	0.02	1	4rkuF	CLA	Rep, Mult	56,59,62
18	0.02	1	3nc6A	PIW	Rep, Mult	143,333,336

	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	3ixzA	0.314	7.29	0.047	0.496	3.6.3.10	NA
2	0.060	1k62B	0.305	7.29	0.055	0.485	4.3.2.1	NA
3	0.060	2ztgA	0.310	8.00	0.043	0.536	6.1.1.7	59
4	0.060	1wdlA	0.309	7.57	0.045	0.502	5.3.3.8,5.1.2.3,4.2.1.17,1.1.1.35	202,208,259
5	0.060	2e1qA	0.294	7.20	0.084	0.470	1.17.3.2,1.17.1.4	NA
6	0.060	1z0hB	0.230	7.25	0.030	0.369	3.4.24.69	185
7	0.060	2ckjA	0.259	8.23	0.039	0.455	1.17.1.4,1.17.3.2	NA
8	0.060	1bglA	0.294	7.32	0.034	0.479	3.2.1.23	266
9	0.060	3b8cA	0.323	7.71	0.057	0.530	3.6.3.6	NA
10	0.060	3gpbA	0.307	7.52	0.049	0.500	2.4.1.1	NA
11	0.060	3b9jI	0.130	5.72	0.078	0.182	1.17.1.4,1.17.3.2	148,177
12	0.060	2np0A	0.311	5.99	0.026	0.443	3.4.24.69	61
13	0.060	2qf7B	0.291	7.85	0.063	0.494	6.4.1.1	NA
14	0.060	2zzgA	0.308	7.78	0.033	0.523	6.1.1.7	43
15	0.060	1w27A	0.313	8.04	0.052	0.542	4.3.1.24	NA
16	0.060	2zxqA	0.308	7.75	0.041	0.515	3.2.1.97	197
17	0.060	2pffB	0.313	7.54	0.059	0.508	2.3.1.86	NA
18	0.060	1fa9A	0.307	7.44	0.034	0.494	2.4.1.1	NA
19	0.060	2qf7A	0.312	7.49	0.045	0.513	6.4.1.1	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	0.919	1.63	0.13	0.95	4ut1A	GO:0005198 GO:0009424 GO:0044780
1	0.24	0.696	2.18	0.10	0.74	2d4yA	GO:0005198 GO:0005576 GO:0009288 GO:0009424 GO:0044780 GO:0071973
2	0.06	0.360	7.08	0.03	0.56	5douD	GO:0000050 GO:0000166 GO:0001889 GO:0003824 GO:0004070 GO:0004087 GO:0004088 GO:0004151 GO:0004175 GO:0005509 GO:0005524 GO:0005543 GO:0005634 GO:0005730 GO:0005737 GO:0005739 GO:0005743 GO:0005759 GO:0005980 GO:0006207 GO:0006508 GO:0006526 GO:0006541 GO:0006807 GO:0007494 GO:0008152 GO:0009636 GO:0010043 GO:0014075 GO:0016595 GO:0016874 GO:0019240 GO:0019433 GO:0032094 GO:0032403 GO:0032496 GO:0033762 GO:0034201 GO:0042493 GO:0042594 GO:0042645 GO:0043200 GO:0043234 GO:0044344 GO:0045909 GO:0046209 GO:0046872 GO:0048545 GO:0050667 GO:0051384 GO:0051591 GO:0055081 GO:0060416 GO:0070365 GO:0070409 GO:0071320 GO:0071377 GO:0071400 GO:0071548 GO:0072341
3	0.06	0.278	7.94	0.04	0.48	4qshC	GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
4	0.06	0.311	7.77	0.03	0.52	3bg5B	GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
5	0.06	0.313	7.53	0.05	0.52	3ho8D	GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
6	0.06	0.313	7.75	0.04	0.53	2qf7A	GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
7	0.06	0.297	7.90	0.04	0.50	4hnvB	GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
8	0.06	0.291	7.85	0.06	0.49	2qf7B	GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
9	0.06	0.358	6.90	0.03	0.55	5dotA	GO:0000050 GO:0000166 GO:0001889 GO:0003824 GO:0004070 GO:0004087 GO:0004088 GO:0004151 GO:0004175 GO:0005509 GO:0005524 GO:0005543 GO:0005634 GO:0005730 GO:0005737 GO:0005739 GO:0005743 GO:0005759 GO:0005980 GO:0006207 GO:0006508 GO:0006526 GO:0006541 GO:0006807 GO:0007494 GO:0008152 GO:0009636 GO:0010043 GO:0014075 GO:0016595 GO:0016874 GO:0019240 GO:0019433 GO:0032094 GO:0032403 GO:0032496 GO:0033762 GO:0034201 GO:0042493 GO:0042594 GO:0042645 GO:0043200 GO:0043234 GO:0044344 GO:0045909 GO:0046209 GO:0046872 GO:0048545 GO:0050667 GO:0051384 GO:0051591 GO:0055081 GO:0060416 GO:0070365 GO:0070409 GO:0071320 GO:0071377 GO:0071400 GO:0071548 GO:0072341
10	0.06	0.251	7.64	0.06	0.42	4rcnA	GO:0003824 GO:0004075 GO:0005524 GO:0016874 GO:0046872
11	0.06	0.280	7.56	0.04	0.46	1bxrA	GO:0000050 GO:0000166 GO:0003824 GO:0004087 GO:0004088 GO:0005524 GO:0005829 GO:0005951 GO:0006221 GO:0006526 GO:0006807 GO:0008652 GO:0016597 GO:0016874 GO:0019856 GO:0044205 GO:0046872
12	0.06	0.259	7.70	0.03	0.43	2wssA	GO:0000166 GO:0005524 GO:0005739 GO:0005743 GO:0005753 GO:0005886 GO:0006754 GO:0006810 GO:0006811 GO:0015986 GO:0015991 GO:0015992 GO:0016020 GO:0016820 GO:0033178 GO:0045261 GO:0046034 GO:0046933 GO:0046961
13	0.06	0.254	7.68	0.03	0.42	4qslD	GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
14	0.06	0.270	8.35	0.04	0.48	3tw6B	GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
15	0.06	0.249	6.69	0.06	0.37	2amxA	GO:0009168 GO:0019239
16	0.06	0.250	7.56	0.05	0.41	4rcnB	GO:0003824 GO:0004075 GO:0005524 GO:0016874 GO:0046872
17	0.06	0.262	7.45	0.03	0.43	4qslA	GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
18	0.06	0.285	8.11	0.04	0.50	4qslG	GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872

Consensus prediction of GO terms

Molecular Function	GO:0005198	GO:0035639	GO:0032550	GO:0043169	GO:0032559
GO-Score	0.47	0.36	0.36	0.36	0.36
Biological Processes	GO:0097588	GO:0044780
GO-Score	0.47	0.47
Cellular Component	GO:0009424
GO-Score	0.47

(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.