I-TASSER results

I-TASSER results for job id Rv3091

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

Input Sequence in FASTA format

>protein (563 residues)
MPIPFADGMLSRLGRRGAALDLIEEFEDESGEPPASLSPADLLAAEPALLLQKMENRLVR
HHLANPDVLSGEQLRKLRYILNFARLADFEPGAAGPGGSRGRGDISVGGQVAPWRSRVVD
ALYAPLREEPDPVTALEGAKDVLATLVDDQDDQRRVLIERHGSDFSATELDAEVGYKKLV
TVLGGGGGAGFVYIGGMQRLLAAGQVPDYMIGSSFGSIIGSLVARELPVPIDEYAEWAKT
VSYRAILGPERRRSRHGLAGMFTLRFDQFAHTLLSRADGERMRMSDLAIPFDVVVAGVRR
QPYAALPSRFRHRERSTLTLRSLPFLPIGIGPWVAARMWQVAAFIDLRVVKPIVISADGA
TRDVNVVDAASFSSAIPGVLHHETSDPRMLPILDELCADQDVAAMVDGGAASNVPVELAW
ERVRDGRLGTRNACYLAFDCFHPHWDPRHLWLVPITQAVQLQMVRNLPYADHLVRFEPTL
SPVNLAPSAAAIDRACRWGRDSVEPAIAVTSALLEPTWWEGDRPPAAEPKERTKSAASSM
SAVMAAIQAPTGRFRRWRSRHLT

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MPIPFADGMLSRLGRRGAALDLIEEFEDESGEPPASLSPADLLAAEPALLLQKMENRLVRHHLANPDVLSGEQLRKLRYILNFARLADFEPGAAGPGGSRGRGDISVGGQVAPWRSRVVDALYAPLREEPDPVTALEGAKDVLATLVDDQDDQRRVLIERHGSDFSATELDAEVGYKKLVTVLGGGGGAGFVYIGGMQRLLAAGQVPDYMIGSSFGSIIGSLVARELPVPIDEYAEWAKTVSYRAILGPERRRSRHGLAGMFTLRFDQFAHTLLSRADGERMRMSDLAIPFDVVVAGVRRQPYAALPSRFRHRERSTLTLRSLPFLPIGIGPWVAARMWQVAAFIDLRVVKPIVISADGATRDVNVVDAASFSSAIPGVLHHETSDPRMLPILDELCADQDVAAMVDGGAASNVPVELAWERVRDGRLGTRNACYLAFDCFHPHWDPRHLWLVPITQAVQLQMVRNLPYADHLVRFEPTLSPVNLAPSAAAIDRACRWGRDSVEPAIAVTSALLEPTWWEGDRPPAAEPKERTKSAASSMSAVMAAIQAPTGRFRRWRSRHLT
Prediction	CCCCHHHHHHHHHHCCCCHHHHHHHHHHHHCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCHHHHCHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHCCCEEEEEHCCHHHHHHHHHHHHHHHHHHCCCCCEEEHCCHHHHHHHHHHHCCCCHHHHHHHHHHHCCHHHHHCCCCCCCCCCCCCCEEEEHHHHHHHHHHHHCCCCCCHHHCCCCEEEEEHCCCCCCEEEEHCHCCCCCCHHHHHHHHHHCCCCCCCEEHCCCCCCCEEHCCCCCCCEEHCCHHHCCCCCEEEEEHCCCCCCCCCCCCCCCCCHHHHHHHHHHHHCHHHCCCCCCCCCCCHHHHHHHHHHCCCCCCCEEEEEEHCCCCCCCCCCCCCHHHHHHHHHHHHHCCCCCCCEHCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHCCCCHHHHHHHHHCCC
Conf.Score	98876889999875666445678877676556654445678877755668999999999998756665675677778887776654456666678877777888765455554578899987544567776556777788888899999998876667665678897887776578859999888899999999999999999999859997678899999998588866999999999899888766554556776655545653789999999866888887777887699997688885787643346888599999987665665676676774445556667666877754445547997999976578777654456677755667788888766454356655568867999987655555555557887644677777555554677788887776555555545546777776556788999999999999999999999999975444578888887666776555555455445654786566777765689
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MPIPFADGMLSRLGRRGAALDLIEEFEDESGEPPASLSPADLLAAEPALLLQKMENRLVRHHLANPDVLSGEQLRKLRYILNFARLADFEPGAAGPGGSRGRGDISVGGQVAPWRSRVVDALYAPLREEPDPVTALEGAKDVLATLVDDQDDQRRVLIERHGSDFSATELDAEVGYKKLVTVLGGGGGAGFVYIGGMQRLLAAGQVPDYMIGSSFGSIIGSLVARELPVPIDEYAEWAKTVSYRAILGPERRRSRHGLAGMFTLRFDQFAHTLLSRADGERMRMSDLAIPFDVVVAGVRRQPYAALPSRFRHRERSTLTLRSLPFLPIGIGPWVAARMWQVAAFIDLRVVKPIVISADGATRDVNVVDAASFSSAIPGVLHHETSDPRMLPILDELCADQDVAAMVDGGAASNVPVELAWERVRDGRLGTRNACYLAFDCFHPHWDPRHLWLVPITQAVQLQMVRNLPYADHLVRFEPTLSPVNLAPSAAAIDRACRWGRDSVEPAIAVTSALLEPTWWEGDRPPAAEPKERTKSAASSMSAVMAAIQAPTGRFRRWRSRHLT
Prediction	56241041005104345102420540354125233314424264341221054013100220032220035422330321131030241423434444445435141332123024302520233235424233214303420451154045214301532445143542445353300000000000000000000100363603000000000000000000011111041023003203232003122313211011112022330022003324244130440301000000003323212021302561200300100000000000021341031000000000110101003313101000000001300120323243320231044114524121000000000010310253134232022100000010132424334022301220122303332310422340333013041233262033004102520351042024003003134542334443442552045134314104225520440454428
	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

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

Sec.Str
Seq

CCCCHHHHHHHHHHCCCCHHHHHHHHHHHHCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCHHHHCHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHCCCEEEEEHCCHHHHHHHHHHHHHHHHHHCCCCCEEEHCCHHHHHHHHHHHCCCCHHHHHHHHHHHCCHHHHHCCCCCCCCCCCCCCEEEEHHHHHHHHHHHHCCCCCCHHHCCCCEEEEEHCCCCCCEEEEHCHCCCCCCHHHHHHHHHHCCCCCCCEEHCCCCCCCEEHCCCCCCCEEHCCHHHCCCCCEEEEEHCCCCCCCCCCCCCCCCCHHHHHHHHHHHHCHHHCCCCCCCCCCCHHHHHHHHHHCCCCCCCEEEEEEHCCCCCCCCCCCCCHHHHHHHHHHHHHCCCCCCCEHCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHCCCCHHHHHHHHHCCC
MPIPFADGMLSRLGRRGAALDLIEEFEDESGEPPASLSPADLLAAEPALLLQKMENRLVRHHLANPDVLSGEQLRKLRYILNFARLADFEPGAAGPGGSRGRGDISVGGQVAPWRSRVVDALYAPLREEPDPVTALEGAKDVLATLVDDQDDQRRVLIERHGSDFSATELDAEVGYKKLVTVLGGGGGAGFVYIGGMQRLLAAGQVPDYMIGSSFGSIIGSLVARELPVPIDEYAEWAKTVSYRAILGPERRRSRHGLAGMFTLRFDQFAHTLLSRADGERMRMSDLAIPFDVVVAGVRRQPYAALPSRFRHRERSTLTLRSLPFLPIGIGPWVAARMWQVAAFIDLRVVKPIVISADGATRDVNVVDAASFSSAIPGVLHHETSDPRMLPILDELCADQDVAAMVDGGAASNVPVELAWERVRDGRLGTRNACYLAFDCFHPHWDPRHLWLVPITQAVQLQMVRNLPYADHLVRFEPTLSPVNLAPSAAAIDRACRWGRDSVEPAIAVTSALLEPTWWEGDRPPAAEPKERTKSAASSMSAVMAAIQAPTGRFRRWRSRHLT

5fquA

0.19

0.08

0.43

1.17

dPPAS

-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RPKIGLVLSGGAARGLAHIGVLKALDEQGIQIDAIAGTS-GAVVGGLYASGYTPAELERIALEDWQPLGVIQG-----------------QNLAVLESLLVHTSDNRDFDKLAIPFRAVSTDIATGEKVVFR-----KGHLPQAIRASS-IPAVFAP------VEIRLLVDGG-VDNIPVDVARD--GVDVVIVVDIGNPLRDRKDLSTVLDVNQSITLTRKNSEAQLAT-------------------------------------------------------------LKPGDVLIQPPSGYGTTDFGRVPQLIDAGYRATTVLAARLAEL------------------------------------------------------

4qmkA

0.15

0.10

0.72

0.91

MUSTER

---------------------------------------------------------------------------------------------------------------------------------------------AKVPLVKGVGERNLSIYRHSDGRVEV----VVSPPPPAHLVLSGGGAKGIAFPGMVQALEEADKGVKVVSGSSAGAICAALLASGMD--AKAFTQLSNNLDLPRLLDPVTAWLQEASSELGKLVRSVGNISQLLLTLLPRQPLEDL---IRNESRQSILAHIAGMPPANRPPEVTAIAERLSAGGGATFRDLEIPAIKQTGTGMFDGRPQLVVFNA-NLTPDMDIGRAALISGALPGRSFPESPLGKDEALIVKF--EDRLQAFSEQTVTLPLNSDKGDFRGLLFTMTPEQKQHLQAQA-------RQTVSGHLQQRELERERHEFPSLNDAVMAMDDLASVQVDLQNDAAGAEALRFRKDAQQALQALDTAIAEANQTSTSLVITPKLASALRNLDALARRGKRLNAPTSAVAEMQKRDIG

5fquA

0.18

0.08

0.42

2.39

wdPPAS

-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RPKIGLVLSGGAARGLAHIGVLKALDEQGIQIDAIAGTS-GAVVGGLYASGYT--PAELERIALE----------------DWQPLGVIQGQNLAVLESLLV-SDNRDFDKLAIPFRAVSTDIATGEKVVFR-----KGHLPQAIRASS-IPAVFAPVE------IRLLVDGG-VDNIPVDVARD--GVDVVIVVDIGNPLRDRKDLSTVLDVNQSITLTRKNSEAQLATLK-------------------------------------------------------------PGDVLIQPPSGYGTTDFGRVPQLIDAGYRATTVLAARLAEL------------------------------------------------------

5fquA

0.19

0.08

0.42

1.17

wMUSTER

--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PKIGLVLSGGAARGLAHIGVLKALDEQGIQIDAIAGTS-GAVVGGLYASGYT--PAELERIAL-WQPLGVIQG---------------QNLAVLESLLVHTS-DNRDFDKLAIPFRAVSTDIATGEKVVFR-----KGHLPQAIRASS-IPAVFAPVE------IRLLVDGG-VDNIPVDVARD--GVDVVIVVDIGNPLRDRKDLST----------------------------------VLDVNQS---------------------------ITLTRKNSEAQLATLKPGDVLIQPPSGYGTTDFGR----VPQLIDAGYRATTVLAARLAEL--------------------------------------------------

5fquA

0.18

0.08

0.42

2.69

wPPAS

-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RPKIGLVLSGGAARGLAHIGVLKALDEQGIQIDAIAGTS-GAVVGGLYASGYT--PAELERIALDWQPLGVIQ----------------QNLAVLESLLVHT-SDNRDFDKLAIPFRAVSTDIATGEKVVFR-----KGHLPQAIRASS-IPAVFAPVE------IRLLVDGG-VDNIPVDVARD--GVDVVIVVDIGNPLRDRKDLSTVLDVNQSITLTRKNSEAQLATLK-------------------------------------------------------------PGDVLIQPPSGYGTTDFGR----VPQLIDAGYRATTVLAARLAEL--------------------------------------------------

5fquA

0.18

0.08

0.42

3.10

dPPAS2

-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RPKIGLVLSGGAARGLAHIGVLKALDEQGIQIDAIAGTS-GAVVGGLYASGYT--PAELERIALEWQPLGVIQG----------------QNLAVLESLLVHTSDNRDFDKLAIPFRAVSTDIATGEKVVFR-----KGHLPQAIRASS-IPAVFAP------VEIRLLVDGG-VDNIPVDVARD--GVDVVIVVDIGNPLRDRKDLSTVLDVNQSITLTRKNSEAQLAT-------------------------------------------------------------LKPGDVLIQPPSGYGTTDFGR----VPQLIDAGYRATTVLAARLAEL--------------------------------------------------

5fquA

0.18

0.08

0.42

2.09

PPAS

-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RPKIGLVLSGGAARGLAHIGVLKALDEQGIQIDAIAGTS-GAVVGGLYASGYT--PAELERIALEWQPLGVIQG---------------QNLAVLESLLVHT-SDNRDFDKLAIPFRAVSTDIATGEKVVFR-----KGHLPQAIRASS-IPAVFAPVE------IRLLVDGG-VDNIPVDVARD--GVDVVIVVDIGNPLRDRKDLST----------------------------------VLDVNQS---------------------------ITLTRKNSEAQLATLKPGDVLIQPPSGYGTTDFGR----VPQLIDAGYRATTVLAARLAEL--------------------------------------------------

5fquA

0.18

0.08

0.42

4.14

Env-PPAS

-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RPKIGLVLSGGAARGLAHIGVLKALDEQGIQIDAIAGTS-GAVVGGLYASGYT--PAELERIALEWQPLGVIQ---------------GQNLAVLESLLVHT-SDNRDFDKLAIPFRAVSTDIATGEKVVFR-----KGHLPQAIRASS-IPAVFAPVE------IRLLVDGG-VDNIPVDVARD--GVDVVIVVDIGNPLRDRKDLST----------------------------------VLDVNQS---------------------------ITLTRKNSEAQLATLKPGDVLIQPPSGYGTTDFGR----VPQLIDAGYRATTVLAARLAEL--------------------------------------------------

4c0oA

0.09

0.98

0.90

MUSTER

PSWKCVQTLVEKYSNDVTSLPFLLEILTVLPEVHSRSLRIGANRRTEIIEDLAFYSSTVVSLLMTCVEKEKMLMKVFRCLGSWFNLGVLDSNFMANNKLLALQQDKTSSNLHEAASDCVCSALYAIENVETNLPLAMQLFQGVLTLETAYHMAVARDLDKVLNYCRIFTELCETFLEKIVCTPGQGLGDLRTLELLLICAGHPQYEVVEISFNFWYRLGEHLYKTNDEVIHGIFKAYIQRLLHALARHCQLEPDHEGVPLIFLIGSMECFAQLYSTLKEGNPPWEVTEAVLFIMAASVDPENNPTLVERLPETVHTAVRYTSIELVGEMSEVVDRNPQFLDPVLLMKGLCEK---PLASAAAKAIHNICSVCRDHMAQHFNGLLE--IARSLDSFLLSPEAAVGLLKALVLARLPLDKITECLSELC----SVQVMALKKLLSQSSDPTVFLDRLAVIFRHTNPIVHPCQKVIQEIWPVLSETKHRADNRIVERCCRCLRFAVRCVGKGSAALLQPLVTQMVNVYHVHQHSCFLYLGSMEEGCRQGLLDMLQALCIPTFQLLE

4akxB

0.12

0.09

0.74

0.88

dPPAS

------------------------------------------------------------------------------------------GSSLRQKLPESVSDVRFSSPQGQGESRTLTDSAGPRQ----------------------------ITLRQFENGVTELQLSR---PPLTSLVLSGGGAKGAAYPGA-LALEEKGLDGIRSSGSSAGGITAALLASGSPAAFKTLSDDLISLLDSSNKIGGFSELLLNVLPRIVARQPTVAAIASRLQSGSGVTFGDLQIKTLNITGTAFEGRLVVFNASHTPDLEVAQAAHISGSFPGVFQKV----SLGVINVPVPEIDKNFDSGPLR--RNDNLILEFEQLEGLEELREQTVVVPTPDEIKAHLQERLQERVG----------EHLEKRLQASERHTFASLDEALLALDDSLTSVAQQNPEITDGAVAFRQKARDAFTELTVAIVSANGLLKLDEARSALQRLDALADTPERLAWLAAELN---------HADNVDHQQLLDARGQTVQSPVLAAALAEAQRRKVAVIAEN

(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=-2.99

Estimated TM-score = 0.38±0.13

Estimated RMSD = 15.1±3.5Å

Download Model 2

C-score=-3.34

Download Model 3

C-score=-3.38

Download Model 4

C-score=-1.87

Download Model 5

C-score=-3.70

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	4c0oA	0.787	4.60	0.074	0.959
2	2x19B	0.735	4.98	0.074	0.927
3	2x1gF	0.705	5.17	0.071	0.906
4	5dlqB	0.673	6.04	0.076	0.936
5	3gjxA	0.662	5.49	0.071	0.877
6	4xriA	0.656	5.43	0.059	0.879
7	3a6pA	0.653	6.45	0.060	0.952
8	3w3tA	0.645	5.42	0.074	0.856
9	1wa5C	0.644	5.61	0.060	0.860
10	3m1iC	0.642	6.05	0.071	0.899

(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	0.09	5	2o013	CLA	Rep, Mult	320,323
2	0.05	3	1f59B	III	Rep, Mult	180,195,231,232,233,234,237,238
3	0.04	2	3zxsA	MG	Rep, Mult	346,471
4	0.04	2	4n6fB	CA	Rep, Mult	291,294
5	0.04	2	1cqpB	MG	Rep, Mult	213,214,346
6	0.02	1	2ly0A	A2Y	Rep, Mult	543,546
7	0.02	1	2qejC	CA	Rep, Mult	286,287
8	0.02	1	1f59A	III	Rep, Mult	190,193,194,197,198,237,246
9	0.02	1	2z64A	UUU	Rep, Mult	330,363,365,368
10	0.02	1	2z66A	UUU	Rep, Mult	287,291,322
11	0.02	1	3wmoS	BCL	Rep, Mult	492,503
12	0.02	1	3m59A	CO	Rep, Mult	236,237
13	0.02	1	1rkuB	MG	Rep, Mult	184,346
14	0.02	1	1o6pA	III	Rep, Mult	317,320,321,356,357,360,361
15	0.02	1	2iubF	MG	Rep, Mult	332,421
16	0.02	1	3dm1A	III	Rep, Mult	220,221
17	0.02	1	3i8hG	MG	Rep, Mult	368,371
18	0.02	1	3ibsA	MG	Rep, Mult	214,221
19	0.02	1	3ouwA	III	Rep, Mult	262,317,324,360,361,364,367,368,371,398,400,403,404,453,457

	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	3btaA	0.353	8.10	0.036	0.599	3.4.24.69	NA
2	0.060	1fo4A	0.291	8.03	0.050	0.492	1.17.1.4	NA
3	0.060	1slyA	0.385	6.63	0.058	0.572	4.2.2.-	316
4	0.060	3b9jI	0.133	5.59	0.035	0.179	1.17.1.4,1.17.3.2	262
5	0.060	3b9jJ	0.222	6.61	0.053	0.332	1.17.1.4,1.17.3.2	NA
6	0.060	2vuaA	0.209	7.58	0.031	0.341	3.4.24.69	314,320
7	0.060	3c5wA	0.309	4.50	0.060	0.382	3.1.3.16	NA
8	0.060	3ihyC	0.345	7.44	0.044	0.545	2.7.1.137	NA
9	0.060	1ho8A	0.365	5.01	0.043	0.469	3.6.3.14	292
10	0.060	2x6fA	0.345	7.63	0.056	0.559	2.7.1.137,2.7.1.153,2.7.1.154	211,216,218,239,242
11	0.060	2e1qA	0.312	7.85	0.032	0.506	1.17.3.2,1.17.1.4	NA
12	0.060	3ebgA	0.393	6.44	0.046	0.568	3.4.11.-	NA
13	0.060	3dsxA	0.319	6.12	0.057	0.453	2.5.1.60	NA
14	0.060	2ckjA	0.339	7.77	0.063	0.547	1.17.1.4,1.17.3.2	NA
15	0.060	1d8dA	0.351	6.02	0.042	0.492	2.5.1.58	NA
16	0.060	2vdcF	0.354	7.97	0.034	0.592	1.4.1.13	260
17	0.060	1hn0A	0.416	7.81	0.044	0.691	4.2.2.20	209
18	0.060	2gv9B	0.350	7.29	0.047	0.543	2.7.7.7	NA
19	0.060	1dceA	0.407	7.31	0.059	0.648	2.5.1.60	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	0.15	0.768	4.76	0.09	0.95	4ol0B	GO:0004872 GO:0005634 GO:0005737 GO:0006810 GO:0008139 GO:0008565 GO:0015031 GO:0031965 GO:0035048 GO:0042802 GO:0043231
1	0.13	0.748	5.07	0.07	0.94	3zjyE	GO:0005634 GO:0005737 GO:0006606 GO:0006810 GO:0006886 GO:0008139 GO:0008536 GO:0008565 GO:0015031 GO:0031965
2	0.12	0.716	5.15	0.07	0.92	4c0qA	GO:0004872 GO:0005634 GO:0005737 GO:0006810 GO:0008139 GO:0008565 GO:0015031 GO:0031965 GO:0035048 GO:0042802 GO:0043231
3	0.11	0.705	5.17	0.07	0.91	2x1gF	GO:0005737 GO:0006606 GO:0006886 GO:0007270 GO:0008139 GO:0008536 GO:0008565 GO:0031965 GO:0042331 GO:0050804
4	0.10	0.684	5.83	0.07	0.93	3zkvA	GO:0005737 GO:0006606 GO:0006886 GO:0007270 GO:0008139 GO:0008536 GO:0008565 GO:0031965 GO:0042331 GO:0050804
5	0.08	0.661	5.48	0.06	0.87	5difC	GO:0000055 GO:0000776 GO:0005634 GO:0005737 GO:0005816 GO:0006406 GO:0006611 GO:0006810 GO:0006886 GO:0008536 GO:0008565 GO:0015031 GO:0034501 GO:0048471
6	0.07	0.679	6.14	0.05	0.94	2xwuB	GO:0005634 GO:0005737 GO:0006606 GO:0006810 GO:0006886 GO:0008139 GO:0008536 GO:0008565 GO:0015031 GO:0031965
7	0.07	0.600	5.64	0.06	0.80	4c0qB	GO:0004872 GO:0005634 GO:0005737 GO:0006810 GO:0008139 GO:0008565 GO:0015031 GO:0031965 GO:0035048 GO:0042802 GO:0043231
8	0.07	0.703	5.80	0.06	0.95	3wyfC	GO:0000055 GO:0000776 GO:0005634 GO:0005737 GO:0005816 GO:0006406 GO:0006611 GO:0006810 GO:0006886 GO:0008536 GO:0008565 GO:0015031 GO:0034501 GO:0048471
9	0.07	0.630	5.94	0.06	0.87	2q5dB	GO:0000059 GO:0000060 GO:0005634 GO:0005635 GO:0005643 GO:0005654 GO:0005737 GO:0005829 GO:0006309 GO:0006606 GO:0006607 GO:0006610 GO:0006810 GO:0006886 GO:0007079 GO:0007080 GO:0008139 GO:0008270 GO:0008536 GO:0008565 GO:0015031 GO:0016020 GO:0016032 GO:0019054 GO:0019899 GO:0019904 GO:0030953 GO:0031291 GO:0031965 GO:0034399 GO:0040001 GO:0043234 GO:0044822 GO:0045184 GO:0051879 GO:0070062 GO:0071782 GO:0075733 GO:0090307
10	0.06	0.378	7.63	0.05	0.62	2iw3B	GO:0000166 GO:0001933 GO:0003723 GO:0003746 GO:0005524 GO:0005737 GO:0005840 GO:0006412 GO:0006414 GO:0006415 GO:0006469 GO:0010494 GO:0016887 GO:0019843 GO:0022626 GO:0042788
11	0.06	0.262	7.77	0.06	0.44	2hivA	GO:0000166 GO:0003677 GO:0003909 GO:0003910 GO:0005524 GO:0005737 GO:0006260 GO:0006273 GO:0006281 GO:0006310 GO:0006974 GO:0007049 GO:0016874 GO:0046872 GO:0051103 GO:0051301 GO:0071897
12	0.06	0.258	6.72	0.03	0.39	3a5vA
13	0.06	0.208	7.54	0.03	0.34	1x87A	GO:0005737 GO:0006547 GO:0006548 GO:0016153 GO:0016829 GO:0019556 GO:0019557
14	0.06	0.187	5.64	0.05	0.25	5bmwB	GO:0003824 GO:0004807 GO:0006094 GO:0006096 GO:0006098 GO:0008152 GO:0016853 GO:0042802
15	0.06	0.158	6.20	0.06	0.22	2yn3C	GO:0005509 GO:0007156 GO:0016020 GO:0016491 GO:0030151 GO:0046872 GO:0055114
16	0.06	0.181	6.24	0.04	0.26	2gieA	GO:0003677 GO:0004518 GO:0004519 GO:0009036 GO:0009307 GO:0016787 GO:0090305
17	0.06	0.211	6.24	0.04	0.30	4rk9A	GO:0005215 GO:0006810
18	0.06	0.150	5.79	0.04	0.20	1ks4A	GO:0000272 GO:0004553 GO:0005975 GO:0008152 GO:0008810 GO:0016787 GO:0016798
19	0.06	0.184	5.87	0.08	0.26	2htmC	GO:0003824 GO:0005737 GO:0009228 GO:0009229 GO:0016740 GO:0016783

Consensus prediction of GO terms

Molecular Function	GO:0060089	GO:0008139	GO:0008565	GO:0008536
GO-Score	0.50	0.48	0.48	0.31
Biological Processes	GO:0010646	GO:0007268	GO:0023051	GO:0009453	GO:0009416	GO:0006606
GO-Score	0.41	0.41	0.41	0.41	0.41	0.31
Cellular Component	GO:0005737	GO:0031965
GO-Score	0.48	0.48

(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.