I-TASSER results

I-TASSER results for job id Rv1069c

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

Input Sequence in FASTA format

>protein (587 residues)
MTEPAAATTTNASDEPATGAEQAVDTAATPQTPEPQPIRSTWWIRHYTFTGTAMGLVFVW
FSMTPSLLPRGPLFQGLVSGICGAFGYGLGVFAVWLVRYMRSHNSSPPPPRWAWPPLIAV
GAVGMVGMAVQFHVWQDDVRDLMGVEHLRWYDYPLAAALSLVVLFTLVEIGQFIRWLFRF
LVGQVDRIAPFRVSAAIVVVLLVVLTITLLNGVVLKFAMNSMNSTFAAVNNEMNPDSAPP
KTPLRSGGPGSLVSWESLGHQGRIFVHSGPTIADLTAFNGTPAVEPIRTYAGLNSADGIM
ATAELAARELARTGGLRRAVVAVATSTGTGWINEAEASALEYMYNGDTAIVSMQYSFLPS
WLSFLVDKENARHAGEALFEAVDKLIRQLPESQRPKLVVFGESLGSFGGEAPFMNLNNIL
ARTDGALFSGPTFNNTVWNSLTANRDAGSPQWLPIYDDGRNVRFVARARDLQRPDAPWGR
PRVVYLQHASDPIAWWTPRLLFREPDWLREQRGYDVLPQTRWIPVVTFVQVSADMAVATH
VPDGHGHRYVATVADGWAAVLSPPGWTQQKTERLQPLLHANAKPFGS

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MTEPAAATTTNASDEPATGAEQAVDTAATPQTPEPQPIRSTWWIRHYTFTGTAMGLVFVWFSMTPSLLPRGPLFQGLVSGICGAFGYGLGVFAVWLVRYMRSHNSSPPPPRWAWPPLIAVGAVGMVGMAVQFHVWQDDVRDLMGVEHLRWYDYPLAAALSLVVLFTLVEIGQFIRWLFRFLVGQVDRIAPFRVSAAIVVVLLVVLTITLLNGVVLKFAMNSMNSTFAAVNNEMNPDSAPPKTPLRSGGPGSLVSWESLGHQGRIFVHSGPTIADLTAFNGTPAVEPIRTYAGLNSADGIMATAELAARELARTGGLRRAVVAVATSTGTGWINEAEASALEYMYNGDTAIVSMQYSFLPSWLSFLVDKENARHAGEALFEAVDKLIRQLPESQRPKLVVFGESLGSFGGEAPFMNLNNILARTDGALFSGPTFNNTVWNSLTANRDAGSPQWLPIYDDGRNVRFVARARDLQRPDAPWGRPRVVYLQHASDPIAWWTPRLLFREPDWLREQRGYDVLPQTRWIPVVTFVQVSADMAVATHVPDGHGHRYVATVADGWAAVLSPPGWTQQKTERLQPLLHANAKPFGS
Prediction	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHCCCCCHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHCEEHCCCCCHHHHHHHCCCCCCCCEEEEHCCCCCCCHHHHHHHHHHHHHHHCCCCCCEEEEHCCCCCCCCCHHHHHHHHHHHCCCEEEEEEEHCCCCCHHHHHHCCCCHHHHHHHHHHHHHHHHHHCCCCCCCEEEEEHCCCCCCCCCCCCCCHHHHHHCCCEEEEHCCCCCCHHHHHHHHHCCCCCCEEEEEEHCCCEEEEHCCCCCCCCCCCCCCCCEEEEEHCCCCCCEHCCHHHHCCCCCCCCCCCCCCCCCCCCEEEHHHHHHHHHHHHHCCCCCCCCCCCCCCHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHCCC
Conf.Score	99888988888878888787666667778888877665444444577768999999999999866788975999999999999999999999999999995888888766789999999999999999999999999999998999998678899999999999999999999999999999998754768999999999999999999975899999999999999865668898889998888898555787677666644454589999999987599888867998757889999999999999999988876868999958998778988988888877896899998646676466776556658999999999999999989966699699995575656665544667888755787998579999888999987589999756557849958998588566577888888977999986999856569888657886678999999888875664478999999987557899999988875689999998589999999999999999998765689
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MTEPAAATTTNASDEPATGAEQAVDTAATPQTPEPQPIRSTWWIRHYTFTGTAMGLVFVWFSMTPSLLPRGPLFQGLVSGICGAFGYGLGVFAVWLVRYMRSHNSSPPPPRWAWPPLIAVGAVGMVGMAVQFHVWQDDVRDLMGVEHLRWYDYPLAAALSLVVLFTLVEIGQFIRWLFRFLVGQVDRIAPFRVSAAIVVVLLVVLTITLLNGVVLKFAMNSMNSTFAAVNNEMNPDSAPPKTPLRSGGPGSLVSWESLGHQGRIFVHSGPTIADLTAFNGTPAVEPIRTYAGLNSADGIMATAELAARELARTGGLRRAVVAVATSTGTGWINEAEASALEYMYNGDTAIVSMQYSFLPSWLSFLVDKENARHAGEALFEAVDKLIRQLPESQRPKLVVFGESLGSFGGEAPFMNLNNILARTDGALFSGPTFNNTVWNSLTANRDAGSPQWLPIYDDGRNVRFVARARDLQRPDAPWGRPRVVYLQHASDPIAWWTPRLLFREPDWLREQRGYDVLPQTRWIPVVTFVQVSADMAVATHVPDGHGHRYVATVADGWAAVLSPPGWTQQKTERLQPLLHANAKPFGS
Prediction	75524535445445434534544342444343434222121110010100000101211020100000012011000000100010000000000000001124233312100000000000001000000012003200410502513011000000002110101101010001002100310221002100000000000101100000001210020023104323541455243144212111150213051003201310032132630451364403200000001342741341043005104433114120000000000010142002001101200000000010110000000013730230021004102510561257320100000000001001101420540242000000000022141143026424421221102144122000024254164355513200000000000000000030003314105534242134401000000020000000102611202102012200200000041741366205403520455356638
	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

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHCCCCCHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHCEEHCCCCCHHHHHHHCCCCCCCCEEEEHCCCCCCCHHHHHHHHHHHHHHHCCCCCCEEEEHCCCCCCCCCHHHHHHHHHHHCCCEEEEEEEHCCCCCHHHHHHCCCCHHHHHHHHHHHHHHHHHHCCCCCCCEEEEEHCCCCCCCCCCCCCCHHHHHHCCCEEEEHCCCCCCHHHHHHHHHCCCCCCEEEEEEHCCCEEEEHCCCCCCCCCCCCCCCCEEEEEHCCCCCCEHCCHHHHCCCCCCCCCCCCCCCCCCCCEEEHHHHHHHHHHHHHCCCCCCCCCCCCCCHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHCCC
MTEPAAATTTNASDEPATGAEQAVDTAATPQTPEPQPIRSTWWIRHYTFTGTAMGLVFVWFSMTPSLLPRGPLFQGLVSGICGAFGYGLGVFAVWLVRYMRSHNSSPPPPRWAWPPLIAVGAVGMVGMAVQFHVWQDDVRDLMGVEHLRWYDYPLAAALSLVVLFTLVEIGQFIRWLFRFLVGQVDRIAPFRVSAAIVVVLLVVLTITLLNGVVLKFAMNSMNSTFAAVNNEMNPDSAPPKTPLRSGGPGSLVSWESLGHQGRIFVHSGPTIADLTAFNGTPAVEPIRTYAGLNSADGIMATAELAARELARTGGLRRAVVAVATSTGTGWINEAEASALEYMYNGDTAIVSMQYSFLPSWLSFLVDKENARHAGEALFEAVDKLIRQLPESQRPKLVVFGESLGSFGGEAPFMNLNNILARTDGALFSGPTFNNTVWNSLTANRDAGSPQWLPIYDDGRNVRFVARARDLQRPDAPWGRPRVVYLQHASDPIAWWTPRLLFREPDWLREQRGYDVLPQTRWIPVVTFVQVSADMAVATHVPDGHGHRYVATVADGWAAVLSPPGWTQQKTERLQPLLHANAKPFGS

4ke2A

0.09

0.03

0.33

1.25

dPPAS2

-------------------------------------MNIDPAARAAAAAAASKAAVTAADAA-------AAAATIAASAASVAAATAADDAAASIATINA---ASAAAKSIAAAAAMAAKDTAAAAASAAAAAVASAAKALETINVKAAYAAATTANTAAAAAAATATTAAAAAAAKATIDNAAAAKAAAVATAVSDAAATAATAAAVAAATLEAAAAKAAATAVSAAAAAAAAAIAFAAAP--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

4o9uB

0.13

0.10

0.73

1.06

Env-PPAS

--------------------------------------------MDLIQAAYFVVAILFIVGL--KRMPTTAKSGIVWAGWGMVLAVLATFFFALILLALLLGSVVAWWAAVRVAMTDMPQMVAIYNGMGGGAAATIAAVELLKGAFENTGLMALAILGGLIGSVAFTGSLIAFAKLQGIMKSRPILFPGQKAVNALVLALTVVIGLSLLWNDATASIVLFFLLALLFGVLMTLP----------IGGGDMPVAISFYNAFT------GMAVGFEGFAVGNPAL----MVAG------TLVGAAGTLLTVLMARAMNRSVWSVLV-GGKGSLKPIVEDAAVMLAYAGKVVFVPGY-----GMALSQAQHKLKELADLLEARVEVKFAIHPVAGRPGHVLLAEAGVDYDKLKDLEEINPEFPTVDVAVVIGANDVVN-----PAARRPGSPLY------GMPIL------------DVDKAKNVIVIKRGQGKGAGVENELFYAENTRMLYGDAQKVLTE-----LIQALKRL-------------------------------------------------------

4bwzA2

0.13

0.04

0.32

1.07

dPPAS2

---------------------------------------RLKDILAVGKEAFLVAVLGVALPF---LG--GYLYGLEITLPALFLGTALVATVGITARVLQELGVLSRPYSRIILGAAVIDDVLGLIVLACVNGVAETGQELSALASPVVLVAGTVVTVIAILGKVLGGFLGALTQGVRSALTVGCGMAPLKAEEEYAIVLFMVVFTTLFAPFALKPLIAWTERERAAKE---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

4b2nA

0.12

0.11

0.95

0.78

MUSTER

PVDPRSLVKQGVNSNPNAALQFNAYFVDLHNPPPPFVNRLPP--RPTTCGQFRASATRGRVNLEERQFFQPMALATSYHFIFLQWGYDFEEQVSKRYGLYPAPFRNPYPLPGEDPNQTNGGSGQLPLGLIQGKDDNGRWTGLIGAS-DSRLGTASEASFKWGLPNSANDAGLLASDMFRT-ITALGNLLPLPWSTGRGSSDAIGLISLLPALFDMETLTLAPSLLEYVADAPHAGMTKAPARAFKTGSLSSDNVHSEMAFGV---ANIFRDANARRGLEDEFED--INNFLSLSPKTINTALAEQGAVIYHERDLWANGAIPKPAGNGSGVYSPRHAALPDPRLKGVAAVVTPIETI-PRRMRLMADERRAWNSGWWAYNNLSPSWTGYPSDNPRAIYNNGGPIYSPLGPNIWEEPTGYIAPPLYGAWATAPYFHNLWGVLKPSDRPKLRPYTAAGIGGKNAGYDYSFASYDWQKLGWKYTAVCNNSIFTSPFLPCTHNMIDILYSMWDNVAAQYLNLAYQSPPPITDQQIKSRMVYNSYLYGNDGHDFT-------------QSLTDSERWALIEYIKTL------

3jd8A3

0.08

0.07

0.90

0.74

dPPAS

FVRVTTNPVDLWSAPSSQARLEKEYFDQHFGAERSIEDELNRESDSDVFTVVISYAIMFLYIS--------LALGHMKSCRRLLVDSKVSLGIAGILIVLSSVACSLGVFSYIGLPLTLIVIEVIPFLVLAVGLVQAYQRDERLMFLSSFSETVAFFLGALSVMPAVHTFSLFAGLAVFIDFAEDGTSVQASESCLFRFFKNSYSPLLLKDWMRPIVIAIFVGVLSFSIAVLNKVDIGLDQSL------------------------SMPDDSYMVDYF-KSISQYLHAGPPVYFVLEEGHDYTSSKGQNMVCGGMGCNNDSLVQQIFNAAQLDNYTRIGFAPSSW---IDDYFDWVKPQSSCCRVPEGKQRPQGGDFMRFLPMFLSDNPNPKCGK----GGHAAYSSAVNILLGHGTRVGATYFMTYHTVLQTSADFIDALKK----------ARLIASNVTETMGINGSAYRVFPYSVFYVFYEQYLT---IIDDTIFNLGVSLGAIFLVTMVLLGCELWSAVIMCATIAMVLVNMFGVMWLWGISLNAVSLVNLVMSC---GISVEFCSHITRAFTVSMKGSRV

4o9uB

0.19

0.12

0.62

0.61

wdPPAS

--------------------------------------------MDLIQAAYFVVAILFIVGLK-RM-PT----TAKSGIVWAGWGMVLAVLATFF---------WPGMGNFALILLALLLGSVVAWWAAVRVA--TDMPQMVAI--IAAVELLKGATGLMALAILGGLIGSVAFTGSLIAFAKLQGIMKKAVNALVLALTVVIGLSLLWNDATASIVLFFLLALLFGVL------MTLPI-----GGGDMPVAISFYNAFT------GMAVGFEGFAVGNPAL----MVAG-----TLVGAAGTLLTVLMAR-AMNRSVWSVLVG-GKGSLKPDVEDAAVMLAYAGKVVFVPGYG----ALS-------AQHKLKELADLLEAR----PVAGRP-----GH-LAEAGVD-DLEEINPEFPTVDVAVVIGAPAA----------RRPGSP--MPILDKAKNVIVIKRGQGKGFAGVE-ENTRMLY-----D------TELI------L-------------------------------------------------------------------------------

4kf7A

0.12

0.11

0.93

0.78

wMUSTER

VGDAQASAIVALLNVTTVADADSAWADFESETTRRRRLLATYLSERRSFLAAVDALLAFLLH-APGTVELDPLRNAVLQGAFGPDTTQLDALAPTYIRTLEGQMAPESLVDWIRTALTEAIHAMSLIFQILDPALVTQWFALMDFEPVPAELLMPLHSLVAAISLKLLNVDRTLSYLDQYLASDNLAQMHTTIAAAASAGLISTMPVVFAWSLILHQMHVGYQERAERRDLLQNQRAQAGFELGSIVSIEASSYDVFLVSQQ---LERNIEAENMARI----ATGRGQVYLGSGQLAALGARARLTFQDLLKR-SAH---YV-------GYQAEPVSCLLSILSGGSQYISAEAPSNEKSALDIYTRMLSDDTLNVQYASQSRNR---FPYEFLPFASMCR-ILALVSDNESSELITGLLVKNPSLTLNWDPRWDRSYELVFEEENTNSFRLIDLFDAAPEEKCT--SRGTFVTDVG----RVAKLEFES-----LAGKRL----VNLMAGAYDTALGYLS--ELIEGISLLATVLRATLRSSKTDPDRGLRILTEASRLLSRGR-MNVVCDTLDSLVEEELADLDG

1kezA

0.21

0.09

0.42

0.53

wPPAS

-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SSALRDG--YRQAGVSGR--VRSYLDLAGLSDF--REHFD---------GSDG--FSLDLV--DM-ADGP-GEVTVICCAGTAISGP--HEFTRLAGALRGIAPVRAVPQ---PG----YEEGEPLPSSMAAVAAVQADAVIRTG--DKP-FVVAGHSAGAL----AYALATELLDPPRGVVLIDPPGHQAWLEELTATRERMDDTRLTAL--GAYDRLTGQWRP-----RETGLP-TLLVS-AGEPM-----------GPW--PDDS--------WKPTWP----EHDT---VAVP-G-DHFT----------MVQEH---DAIARHIDAWLG------G-

5ezmA

0.13

0.06

0.48

1.00

dPPAS2

FPNFFFIHEHWQRRSGSVFYFLPLVIGGFLPWAGIFPKLWTAMRARFRMAGIWAIAIFVFFSISRSKLP--GYIVPVIPALGILAGVALDRL-------------SPRSWGKQLIGMAIVAACGLLASPVVATL---------NANHIPNSFYRAYAVWVAVAFVVMLLGIAVARLLLRRG-----------VLPSVAVYAMGMYLGFTVALLGHETVGRPASDIAPQIAQKLTPEMP--------------------------LYGVQMLDHTLPFYLRH----PLMMVGQADELTDVDSFTKLWKNG--------QPAMAVMS--------PDTYLALAPTLDWRRVVVAVASLAGPQ-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

3jd8A3

0.11

0.10

0.91

0.81

PPAS

FVRVTTNPVDLWSAPSSQARLEKEYFDQHFGAERSIEDELNRESDSVFTVVISYAIMFLYISLALGHM-KSCRRLLVDSKVSLGIAGILIVLSSGVFSYIGLP------LIVIEVIPFLVLAVGVDNIFILVQAYQRDERL-----QGETLDQQLGRVLGEVAPSMFLS---SFSETVAFFLGALSVM--PAVHTFSLFAGLAVFIDFAEDGTSVQASESCLFRFFKNSYSPLLLKDWMRPIVI-----AIFVGVLSFSIAVLNKVDIGPDDSYMVDYF-KSISQYLHAGPPVYLEEGHDYTSSKGQNMVCGGMGCNNDSLVQQIFNAAQLDNYTRIGFA------SSWIDDYFDWVKPQSSCCRVPEGKQRPQGGDFMRFLPMFLSDNPNPKCGK-----GGHAAYSSAVNILLGHGTRVGATYFMTYHTVLQTSADFIDALK------KARLIASN---VTETMGINGSAYRVFPYSVFYVFYEQYLT--IIDDTIFNLGV-AIFLVTMVLLGCELWSAVIMCATIAMVLVNMFGVWGIS-GISVEFCSHITRAFTVSMKGSRV-----ERAEEALAHMGSSVFS

(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 2 final models predicted by I-TASSER

(For each target, I-TASSER simulations generate a large ensemble of structural conformations, called decoys. To select the final models, I-TASSER uses the SPICKER program to cluster all the decoys based on the pair-wise structure similarity, and reports up to five models which corresponds to the five largest structure clusters. The confidence of each model is quantitatively measured by C-score that is calculated based on the significance of threading template alignments and the convergence parameters of the structure assembly simulations. C-score is typically in the range of [-5, 2], where a C-score of higher value signifies a model with a high confidence and vice-versa. TM-score and RMSD are estimated based on C-score and protein length following the correlation observed between these qualities. Since the top 5 models are ranked by the cluster size, it is possible that the lower-rank models have a higher C-score in rare cases. Although the first model has a better quality in most cases, it is also possible that the lower-rank models have a better quality than the higher-rank models as seen in our benchmark tests. If the I-TASSER simulations converge, it is possible to have less than 5 clusters generated. This is usually an indication that the models have a good quality because of the converged simulations.)

More about C-score

Local structure accuracy of first model

Download Model 1

C-score=-3.27

Estimated TM-score = 0.35±0.12

Estimated RMSD = 16.0±3.2Å

Download Model 2

C-score=-3.27

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	4b2nA	0.935	1.52	0.104	0.963
2	3l4mA	0.347	5.28	0.060	0.440
3	1gqiA	0.342	7.74	0.036	0.550
4	5a22A	0.338	7.97	0.041	0.566
5	4bgdA	0.336	7.94	0.032	0.557
6	2y8nA	0.336	8.04	0.043	0.559
7	4av3A	0.331	8.08	0.053	0.557
8	1l5jA	0.330	8.10	0.063	0.549
9	1t3tA2	0.330	7.88	0.034	0.547
10	4v0qA	0.326	7.89	0.038	0.537

(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	0.05	3	4b2nA	HEM	Rep, Mult	147,192,200,202,203,237,238,239,240,242,245,257,260,282,287,361
2	0.05	3	4b2nA	HEM	Rep, Mult	329,352,419,420,421,422,424,433,434,437,440,441,556,574,578
3	0.03	2	1ea0A	F3S	Rep, Mult	298,299,300,301,302,303,304,575,579,580
4	0.03	2	4ln8A	GAL	Rep, Mult	526,530
5	0.03	2	1qhzA	CA	Rep, Mult	402,510
6	0.03	2	3kegA	FMN	Rep, Mult	526,531,535
7	0.03	2	3o5cB	HEM	Rep, Mult	145,238,239,249,256,260,284,420
8	0.03	2	2afmA	ZN	Rep, Mult	367,402,547
9	0.02	1	1z2lA	1AL	Rep, Mult	394,463,547
10	0.02	1	2x5dD	LLP	Rep, Mult	355,549
11	0.02	1	4l6vf	CLA	Rep, Mult	272,275
12	0.02	1	3g5nA	HEM	Rep, Mult	58,61
13	0.02	1	3hlnI	CA	Rep, Mult	510,511
14	0.02	1	2ek8A	ZN	Rep, Mult	488,491,534
15	0.02	1	2essA	CA	Rep, Mult	534,547
16	0.02	1	3pxtA	NA	Rep, Mult	310,311,312,313,329,330
17	0.02	1	1cq1B	CA	Rep, Mult	430,431
18	0.02	1	1yvpA	MG	Rep, Mult	356,360,432
19	0.02	1	1jx4A	MG	Rep, Mult	381,386
20	0.02	1	1diiA	HEM	Rep, Mult	275,278

	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	2vhdB	0.321	4.85	0.056	0.395	1.11.1.5	421,433,578
2	0.060	3cmmC	0.307	7.96	0.025	0.516	6.3.2.19	316,318
3	0.060	2e9eA	0.302	7.85	0.033	0.496	1.11.1.7	NA
4	0.060	1ea0A	0.290	8.31	0.035	0.499	1.4.1.13	NA
5	0.060	2eabA	0.307	8.22	0.031	0.525	3.2.1.63	261
6	0.060	1k32A	0.317	8.00	0.033	0.530	3.4.21.-	NA
7	0.060	2vhdA	0.321	4.66	0.056	0.390	1.11.1.5	255
8	0.060	2bklB	0.311	7.92	0.043	0.516	3.4.21.26	449
9	0.060	2wj2A	0.306	7.45	0.064	0.482	3.5.1.99	259
10	0.060	2vdcF	0.323	7.89	0.041	0.526	1.4.1.13	NA
11	0.060	1l5jA	0.330	8.10	0.063	0.549	4.2.1.3	NA
12	0.060	1ofdA	0.320	8.23	0.045	0.537	1.4.7.1	NA
13	0.060	3ikmD	0.321	8.18	0.033	0.538	2.7.7.7	245,250
14	0.060	1ygpA	0.308	8.16	0.032	0.525	2.4.1.1	NA
15	0.060	1reqA	0.314	7.57	0.031	0.497	5.4.99.2	NA
16	0.060	1iqcD	0.320	4.56	0.059	0.387	1.11.1.5	421,423
17	0.060	1g8kA	0.308	8.09	0.055	0.516	1.20.98.1	196
18	0.060	1llwA	0.307	7.58	0.032	0.487	1.4.7.1	NA
19	0.060	2vycA	0.308	8.05	0.025	0.514	4.1.1.19	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	0.22	0.935	1.52	0.10	0.96	4b2nA	GO:0009055 GO:0020037 GO:0046872
1	0.06	0.348	5.02	0.07	0.43	4fa4B	GO:0009055 GO:0016491 GO:0020037 GO:0042597 GO:0046872 GO:0055114
2	0.06	0.342	7.74	0.04	0.55	1gqiA	GO:0000272 GO:0005576 GO:0005975 GO:0008152 GO:0009279 GO:0016020 GO:0016787 GO:0016798 GO:0033939 GO:0045493 GO:0046559 GO:2000886
3	0.06	0.319	7.96	0.04	0.52	1mqqA	GO:0000272 GO:0005576 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0033939 GO:0045493 GO:0046559
4	0.06	0.282	8.11	0.04	0.48	2eyqA	GO:0000166 GO:0000716 GO:0003676 GO:0003677 GO:0003684 GO:0004386 GO:0005524 GO:0005737 GO:0005829 GO:0006281 GO:0006355 GO:0006974 GO:0008026 GO:0015616 GO:0016787 GO:0043175
5	0.06	0.322	5.07	0.07	0.40	2c1vA
6	0.06	0.319	4.80	0.06	0.39	3o5cA	GO:0004130 GO:0004601 GO:0009055 GO:0016491 GO:0020037 GO:0046872 GO:0055114 GO:0098869
7	0.06	0.321	4.66	0.06	0.39	2vhdA	GO:0004130 GO:0004601 GO:0009055 GO:0016491 GO:0020037 GO:0042597 GO:0046872 GO:0055114 GO:0098869
8	0.06	0.322	4.80	0.07	0.40	4aamA	GO:0004130 GO:0004601 GO:0009055 GO:0016491 GO:0020037 GO:0046872 GO:0055114 GO:0098869
9	0.06	0.302	4.97	0.05	0.37	3hq6A	GO:0004130 GO:0004601 GO:0009055 GO:0016491 GO:0020037 GO:0046872 GO:0055114 GO:0098869
10	0.06	0.302	4.70	0.05	0.37	1nmlA	GO:0009055 GO:0016491 GO:0020037 GO:0046872 GO:0055114
11	0.06	0.296	4.75	0.04	0.36	3hq7A	GO:0004130 GO:0004601 GO:0009055 GO:0016491 GO:0020037 GO:0046872 GO:0055114 GO:0098869
12	0.06	0.289	4.82	0.06	0.35	4aaoA	GO:0004130 GO:0004601 GO:0009055 GO:0016491 GO:0020037 GO:0046872 GO:0055114 GO:0098869
13	0.06	0.286	4.72	0.06	0.35	1zzhB
14	0.06	0.269	7.05	0.07	0.41	2cb1A	GO:0003824 GO:0016829 GO:0030170
15	0.06	0.220	7.56	0.04	0.35	1sezA	GO:0004729 GO:0005739 GO:0006779 GO:0006782 GO:0006783 GO:0016491 GO:0055114
16	0.06	0.256	7.17	0.03	0.39	3lp8A	GO:0000166 GO:0000287 GO:0003824 GO:0004637 GO:0005524 GO:0006164 GO:0006189 GO:0009113 GO:0016874 GO:0030145 GO:0046872
17	0.06	0.255	7.86	0.04	0.41	3ictA	GO:0000166 GO:0003756 GO:0005623 GO:0016491 GO:0045454 GO:0050451 GO:0050660 GO:0050661 GO:0055114
18	0.06	0.209	6.91	0.05	0.32	1oc5A	GO:0000272 GO:0004553 GO:0005576 GO:0005975 GO:0008152 GO:0016162 GO:0016787 GO:0016798 GO:0030245 GO:0030248

Consensus prediction of GO terms

Molecular Function	GO:0043169	GO:0046906
GO-Score	0.55	0.55
Biological Processes	GO:2000886	GO:0006355	GO:0055114	GO:0000716
GO-Score	0.06	0.06	0.06	0.06
Cellular Component	GO:0005576	GO:0005829	GO:0009279	GO:0042597
GO-Score	0.12	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.