I-TASSER results

I-TASSER results for job id Rv1868

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

Input Sequence in FASTA format

>protein (699 residues)
MQILVTDATGAVGRSVTRQLIAAGHTVSGIAQHPHDALDPRVDYVCASLRNPVLQELAGE
ADAVIHLAPVDTSAPGGVGITGLAHVANAAARAGARLLFVSQAAGRPELYRQAETLVSTG
WAPSLVIRIAPPVGRQLDWMVCRTVATLLRSKVSARPIRVLHLDDLVRFLVLALNTDRNG
VVDLATPDTTNVVTAWRLLRSVDPHLRTRRVRSWEQLIPEVDIAAVQEDWNFEFGWQATE
AIVDTGRGLVGRRLHPAGATNGSGQLALPVEAPPRSVPSHGEPLGSAAPEGLEGEFDDRI
DERFPVFSSASLAEALPGPLTPMTLDVQLSGLRAAGRAMGRVLALGGVVADEWERRAIAV
FGHRPYIGVSANIVAAAQLPGWDAQAVARRALGEQPQVTELLPFGRPQLAGGPLGSVAKV
VVTARSLALLRHLRSDTHHYVAAADAEHLAAGQLASLPDAGLEVRIRLLRDRIHQGWILT
VLWVIDTGVTAATLEHTRAGSAVSGGGMIMESGRIGAEIAPLAAVLRADPPLCALANDGN
LASIRALSAPAAAAVDAVIARIGHRGLGEAELANLTFADDPALLLKTAAEIAARPAGPAH
PATLIQRLAAGTRSARELAHDTTIRFTHELRMTLRELGSRRVAADVIDVVDDVFYLTCDE
LITTPADARLRIKRRRAERERLQAQRPPDVIDHAWVPVE

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 540 560 580 600 620 640 660 680 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MQILVTDATGAVGRSVTRQLIAAGHTVSGIAQHPHDALDPRVDYVCASLRNPVLQELAGEADAVIHLAPVDTSAPGGVGITGLAHVANAAARAGARLLFVSQAAGRPELYRQAETLVSTGWAPSLVIRIAPPVGRQLDWMVCRTVATLLRSKVSARPIRVLHLDDLVRFLVLALNTDRNGVVDLATPDTTNVVTAWRLLRSVDPHLRTRRVRSWEQLIPEVDIAAVQEDWNFEFGWQATEAIVDTGRGLVGRRLHPAGATNGSGQLALPVEAPPRSVPSHGEPLGSAAPEGLEGEFDDRIDERFPVFSSASLAEALPGPLTPMTLDVQLSGLRAAGRAMGRVLALGGVVADEWERRAIAVFGHRPYIGVSANIVAAAQLPGWDAQAVARRALGEQPQVTELLPFGRPQLAGGPLGSVAKVVVTARSLALLRHLRSDTHHYVAAADAEHLAAGQLASLPDAGLEVRIRLLRDRIHQGWILTVLWVIDTGVTAATLEHTRAGSAVSGGGMIMESGRIGAEIAPLAAVLRADPPLCALANDGNLASIRALSAPAAAAVDAVIARIGHRGLGEAELANLTFADDPALLLKTAAEIAARPAGPAHPATLIQRLAAGTRSARELAHDTTIRFTHELRMTLRELGSRRVAADVIDVVDDVFYLTCDELITTPADARLRIKRRRAERERLQAQRPPDVIDHAWVPVE
Prediction	CEEEEHCCCCHHHHHHHHHHHHHCCEEEEEHCCCCCCCCCCEEEEEHCCCCHHHHHHHHCCCEEEEHCCCCCCCCHHHHHHHHHHHHHHHHHHCCCEEEEHCCCCCCCCCCCCHHHHHHHCCCEEEEEHCCHCCCCCCCCCCCHHHHHHCCCCCCCCEEEEEEHHHHHHHHHHHCCCCCCCEEHCCCCEEEHHHHHHHHHHHCCCHCCCCCCCHHHCCCCHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEHCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHCCCEEEHCHHHHHHHHHHCCCCCHHHHHHHHCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHCHHHHHHHHCCCHHHHHHCCHHHHHHHHHHHHHHCCCCCCCEEHCCCCCCCCHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCEEEHCHHHHHHCCCCHHHHHHHHHHHHHHHHCCCCCCEEHCCCCCCC
Conf.Score	979998677646789999999989979999788877788886999857787788988647988999568898654555599999999999998996999966889887888757788886964578764544488777765444444434577888768998758899999986688998578679965658999999877555444677887455565445999999988777876556589999999876556654445555556765544445676666666677766778888888888867876564444788889864779999999988877654567765545566666665466444446799999998789988899998778888877778888886656545677888776556678888889999999998777645545777988999999999999999999999999999999999998876666665578887446899999999999986889999974688788776576899999999999889875545656888666989999999999976666556789999999999998777789999999999999999999999989988878578755888876678799999999999999985899958858998899
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 540 560 580 600 620 640 660 680 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MQILVTDATGAVGRSVTRQLIAAGHTVSGIAQHPHDALDPRVDYVCASLRNPVLQELAGEADAVIHLAPVDTSAPGGVGITGLAHVANAAARAGARLLFVSQAAGRPELYRQAETLVSTGWAPSLVIRIAPPVGRQLDWMVCRTVATLLRSKVSARPIRVLHLDDLVRFLVLALNTDRNGVVDLATPDTTNVVTAWRLLRSVDPHLRTRRVRSWEQLIPEVDIAAVQEDWNFEFGWQATEAIVDTGRGLVGRRLHPAGATNGSGQLALPVEAPPRSVPSHGEPLGSAAPEGLEGEFDDRIDERFPVFSSASLAEALPGPLTPMTLDVQLSGLRAAGRAMGRVLALGGVVADEWERRAIAVFGHRPYIGVSANIVAAAQLPGWDAQAVARRALGEQPQVTELLPFGRPQLAGGPLGSVAKVVVTARSLALLRHLRSDTHHYVAAADAEHLAAGQLASLPDAGLEVRIRLLRDRIHQGWILTVLWVIDTGVTAATLEHTRAGSAVSGGGMIMESGRIGAEIAPLAAVLRADPPLCALANDGNLASIRALSAPAAAAVDAVIARIGHRGLGEAELANLTFADDPALLLKTAAEIAARPAGPAHPATLIQRLAAGTRSARELAHDTTIRFTHELRMTLRELGSRRVAADVIDVVDDVFYLTCDELITTPADARLRIKRRRAERERLQAQRPPDVIDHAWVPVE
Prediction	535130300100000311210534110000000235123130100100001100230024030100000022431220001001000201251501000000000126212201300231001000000100000100010000000000000111100000000000000000114110000000220000000030023111212121132042010000102015303010011122001000000000121221121222313222312222123342313233433342404242443111011010000000000000000001001000100001010332234412220000000000000000220021002132220132011331413423324323212200110121022122122034124303400230223413333033023420231033014102300000000000010010003412132102223341220300300130042036243023004534145126334501500330043000001000100101121102200300341254455554323203401441252023102000000000020001001100534205432000000010013124403300440252056137130020010624148
	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                 600                 620                 640                 660                 680

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Sec.Str
Seq

CEEEEHCCCCHHHHHHHHHHHHHCCEEEEEHCCCCCCCCCCEEEEEHCCCCHHHHHHHHCCCEEEEHCCCCCCCCHHHHHHHHHHHHHHHHHHCCCEEEEHCCCCCCCCCCCCHHHHHHHCCCEEEEEHCCHCCCCCCCCCCCHHHHHHCCCCCCCCEEEEEEHHHHHHHHHHHCCCCCCCEEHCCCCEEEHHHHHHHHHHHCCCHCCCCCCCHHHCCCCHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEHCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHCCCEEEHCHHHHHHHHHHCCCCCHHHHHHHHCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHCHHHHHHHHCCCHHHHHHCCHHHHHHHHHHHHHHCCCCCCCEEHCCCCCCCCHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCEEEHCHHHHHHCCCCHHHHHHHHHHHHHHHHCCCCCCEEHCCCCCCC
MQILVTDATGAVGRSVTRQLIAAGHTVSGIAQHPHDALDPRVDYVCASLRNPVLQELAGEADAVIHLAPVDTSAPGGVGITGLAHVANAAARAGARLLFVSQAAGRPELYRQAETLVSTGWAPSLVIRIAPPVGRQLDWMVCRTVATLLRSKVSARPIRVLHLDDLVRFLVLALNTDRNGVVDLATPDTTNVVTAWRLLRSVDPHLRTRRVRSWEQLIPEVDIAAVQEDWNFEFGWQATEAIVDTGRGLVGRRLHPAGATNGSGQLALPVEAPPRSVPSHGEPLGSAAPEGLEGEFDDRIDERFPVFSSASLAEALPGPLTPMTLDVQLSGLRAAGRAMGRVLALGGVVADEWERRAIAVFGHRPYIGVSANIVAAAQLPGWDAQAVARRALGEQPQVTELLPFGRPQLAGGPLGSVAKVVVTARSLALLRHLRSDTHHYVAAADAEHLAAGQLASLPDAGLEVRIRLLRDRIHQGWILTVLWVIDTGVTAATLEHTRAGSAVSGGGMIMESGRIGAEIAPLAAVLRADPPLCALANDGNLASIRALSAPAAAAVDAVIARIGHRGLGEAELANLTFADDPALLLKTAAEIAARPAGPAHPATLIQRLAAGTRSARELAHDTTIRFTHELRMTLRELGSRRVAADVIDVVDDVFYLTCDELITTPADARLRIKRRRAERERLQAQRPPDVIDHAWVPVE

5fbtA

0.12

0.10

0.80

1.05

MUSTER

------------------------------------------------------------KPYVLKFQEISEALV------G--NLGACSNIEGVHFCLTTEAYKEFTQLLQRLAIREISETIRTLIQHTQIPSEIASLQHISCWASLVIQQISPEASGILFTADPITS------NRKSLSIDASSADSYTVRE--TITNKIIATKKLRILEKSQQTKQTL----------------TDQQIIQLAKLGRKIEA----------YFGKPQDIEWC-LAEGAFYIVQSRPITTLYPIPEVNEPGNRVYISVAHQQTDAK-----------------PLGLSFYLTTPATYT----------AGGRLFVDITQSLSAKVSRDVNSLGQSDPLIKDALLTVINKKGLPPLPTVRSIPDSSSVFELVRNSENSIKHLKQSIET---------KSGSDLFDFIVEDLEELKRVLFNPTSIDAIAGDASAWLNEHIYQWLGEKNVADKLSESAPNNITS-QGLELLDVADVIRPYPAVRAYLEQTKNPDFLEGGAETKKALEDYLQKYG-RCAGEIDLTKTRWIENPLTLIPLILSNIKNFDSSQKAETKEKIDILRHFIGYREYPKYGINRYFIYKLALLRAGEQLVKDGILQEHEDIYFLYFEELREVVRTGYELINARKRDFATFEKLTPPRILTSDGEING

5fbtA

0.13

0.10

0.81

1.42

wMUSTER

-KVLLVGGKGNLGACS-----IEGVHV-----------PAGF------LTTEAYKEFTQLLQR---------LAIREIS-----TIRTLIQHTQIP-----SEIASYDALQHISCWASLFQLAVVI--------QQISPEASGILFTADPITSNRKSLSIDASFGL----------GESGLV---SADSYTVRE--TITNKIIATKKLRILEKSQQTKQTLT----------------DQQIIQLAKLGRKIEA----------YFGKPQDIEWC-LAEGAFYIVQSRPITTLYPIPEVNEPGNRVYISVAHQQT---DAKPLGLSFYLT--------------TPATYT----------AGGRLFVDITQSLKVSRDVNSLGSDPLIKDALLTVINKKGFLP--PLPTVRSIPDSSSVFELVRNSENSIKHLKQSIET---------KSGSDLFDFIVEDLEELKRVLFNPTSIDAIAGDASAWLNEHIYQWLGEKNVADKLSESAPNNITS-QGLELLDVADVIRPYPAVRAYLEQTKNPDFLEGGAETKKALEDYLQKYG-RCAGEIDLTKTRWIENPLTLIPLILSNIKNFDSSQKAETKEKIDILRHFIGYREYPKYGINRYFIYKLALLRAGEQLVKDGILQEHEDIYFLYFEELREVVRTGYELINARKRDFATFEKLTPPRILTSDGEING

2c5aA

0.12

0.05

0.41

1.09

dPPAS

LKISITGAGGFIASHIARRLKHEGHYVIASDWKKNEHMTFCDEFHLVDLRVENCLKVTEGVDHVFNLAADNHSVIMYNNTMISFNMIEAARINGIKYASSACIYPEFKQLETTKHYNKDFGIECRIGRFHNIYGPFGTWKGGRAPAAFCRKAQTSTDRSFTFIDECVEGVLRLTKSDFREPVNIGSDEMVSMNEMAEMVLSFEEKKLPPGPEGVRGRNS--DNNLIKEKLGWAPNMRLKEGLRITYFWIKEQIEKEKAKGSDVSLYGSSKVVGTQAPVQLGSLRAADG---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

2c5aA

0.13

0.05

0.41

1.87

wdPPAS

LKISITGAGGFIASHIARRLKHEGHYVIASDWKKNEHMTFCDEFHLVDLRVENCLKVTEGVDHVFNLAADNHSVIMYNNTMISFNMIEAARINGIKFFYASSIYPEFKQLETTKHYNKDFGIECRIGRFHNIYGPFGTWKGGRAPAAFCRKAQTSTDRSFTFIDECVEGVLRLTKSDFREPVNIGSDEMVSMNEMAEMVLSFEEKHIPGP-EGVRGRNS--DNNLIKEKLGWAPNMRLKEGLRITYFWIKEQIEKEKAKGSDVSLYGSSKVVGTQAPVQLGSLRAADG---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

2c5aA

0.13

0.05

0.41

2.28

wPPAS

LKISITGAGGFIASHIARRLKHEGHYVIASDWKKNEHMTFCDEFHLVDLRVENCLKVTEGVDHVFNLAADNHSVIMYNNTMISFNMIEAARINGIRFFYASSIYPEFKQLETTKHYNKDFGIECRIGRFHNIYGPFGTWKGGRAPAAFCRKATSTDRRSFTFIDECVEGVLRLTKSDFREPVNIGSDEMVSMNEMAEMVLSFEEKHIPGP-EGVRGRNS--DNNLIKEKLGWAPNMRLKEGLRITYFWIKEQIEKEKAKGSDVSLYGSSKVVGTQAPVQLGSLRAADG---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

2c5aA

0.12

0.05

0.41

2.25

dPPAS2

LKISITGAGGFIASHIARRLKHEGHYVIASDWKKNEHFCDEFHLVDLRVM-ENCLKVTEGVDHVFNLAADNHSVIMYNNTMISFNMIEAARINGIKFFYASSIYPEFKQLETTKHYNKDFGIECRIGRFHNIYGPFGTWKGGRAPAAFCRKAQTSTDRSFTFIDECVEGVLRLTKSDFREPVNIGSDEMVSMNEMAEMVLSFEEKKLPPGPEGVRGRNS--DNNLIKEKLGWAPNMRLKEGLRITYFWIKEQIEKEKAKGSDVSLYGSSKVVGTQAPVQLGSLRAADG---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

2c5aA

0.13

0.05

0.41

2.04

PPAS

LKISITGAGGFIASHIARRLKHEGHYVIASDHMTEDMFCDEFHLVDLRVM-ENCLKVTEGVDHVFNLAADNHSVIMYNNTMISFNMIEAARINGIRFFYASSIYPEFKQLETTKHYNKDFGIECRIGRFHNIYGPFGTWKGGRAPAAFCRKAQTSTDRSFTFIDECVEGVLRLTKSDFREPVNIGSDEMVSMNEMAEMVLSFEIHHIPGP-EGVRGRNS--DNNLIKEKLGWAPNMRLKEGLRITYFWIKEQIEKEKAKGSDVSLYGSSKVVGTQAPVQLGSLRAADG---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

4zrmA

0.21

0.08

0.36

2.80

Env-PPAS

MNILVTGGAGFIGSHVVDKLIENGYGVIVVDNLSSGKVNRNALFYEQSIEDEEMMERIFSPEYVFHLAAQEPARDAKTNIIGSLVLLEKSIKYGVKFIFSSTIYGENVVFPTPEFFAREYGLKYTVLRYANVYGPRQDPYEAGVVAIFTERMLRGEERDYVYVDDVVRANLLAMEKGDNEVFNIGTGRGTTVNQLFKLLKEITPVYKPPRKGDVRKSI--LDYTKAKEKLGWEPKVSLEEGLKLTVEYFRKTL--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

2c5aA

0.13

0.05

0.41

1.02

MUSTER

LKISITGAGGFIASHIARRLKHEGHYVIASDWKKNEHMTFCDEFHLVDLRVENCLKVTEGVDHVFNLAADNHSVIMYNNTMISFNMIEAARINGIRFFYASSIYPEFKQLETTKHYNKDFGIECRIGRFHNIYGPFGTWKGGRAPAAFCRKAQTSTDRSFTFIDECVEGVLRLTKSDFREPVNIGSDEMVSMNEMAEMVLSFEEKKLPIGPEGVRGRNS--DNNLIKEKLGWAPNMRLKEGLRITYFWIKEQIEKEKAKGSDVSLYGSSKVVGTQAPVQLGSLRAADG---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

3icpA

0.17

0.06

0.35

0.97

dPPAS

MRIVVTGGAGFIGSHLVDKLVELGYEVVVVDNLSSGRVNPSAELHVRDLKDYSWGAGI-KGDVVFHFAATEPIVHFNENVVATFNVLEWARQTGVRVVFASSVYGDADVIPTPATYARLFGVRCLAVRYANVVGPRLR---HGVIYDFIMKLRRNPNKSYLYVRDAVEATLAAWKDAPFLALNVGNVDAVRVLDIAQIVAEVLLRPEIRLVGDVKYMT--LAVTKLMKLTGWRPTMTSAEAVKKTAEDLAKELW-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

(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=-1.77

Estimated TM-score = 0.50±0.15

Estimated RMSD = 12.4±4.3Å

Download Model 2

C-score=-2.23

Download Model 3

C-score=-1.01

Download Model 4

C-score=-2.36

Download Model 5

C-score=-2.78

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	5fbtA	0.589	4.78	0.086	0.690
2	2pffA	0.347	8.33	0.043	0.564
3	4f91B	0.347	8.64	0.038	0.581
4	3hmjA	0.345	8.71	0.049	0.582
5	2uv9D3	0.344	8.58	0.056	0.572
6	2pi4A	0.340	7.65	0.058	0.509
7	1kekA	0.328	8.19	0.050	0.526
8	1llwA	0.327	8.21	0.044	0.529
9	2q1fA	0.326	8.91	0.057	0.565
10	2vdcA	0.325	8.43	0.036	0.532

(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	0.16	8	3eheA	NAD	Rep, Mult	7,10,11,12,31,32,33,34,35,36,47,48,49,67,68,69,78,100,101,129,130,131,132
2	0.06	3	5fbuA	5WP	Rep, Mult	308,310,313,314,345,346,347,367,384,469,470,479,480,617,621,623
3	0.04	2	2c3oA	SF4	Rep, Mult	137,142,145,159,160,161,162
4	0.02	1	3lu1C	GLY	Rep, Mult	207,210
5	0.02	1	4ev6E	MG	Rep, Mult	430,625
6	0.02	1	1b0pA	SF4	Rep, Mult	66,130,131,132
7	0.02	1	1s0vC	APC	Rep, Mult	123,127,128,131
8	0.02	1	3ak1B	EDO	Rep, Mult	428,431
9	0.02	1	3e3iA	SO4	Rep, Mult	462,465
10	0.02	1	3q72A	CA	Rep, Mult	431,434
11	0.02	1	1b0pA	SF4	Rep, Mult	68,82,83,84,86,87
12	0.02	1	4filB	ZN	Rep, Mult	244,247
13	0.02	1	1xrmA	ALA	Rep, Mult	634,637
14	0.02	1	4rkuL	CLA	Rep, Mult	630,634
15	0.02	1	2b69A	UDP	Rep, Mult	52,53,54,84,85,88,89,91,92,116

	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	1q16A	0.293	8.05	0.031	0.461	1.7.99.4	NA
2	0.060	1fo4A	0.300	8.58	0.028	0.501	1.17.1.4	135,143
3	0.060	1yr2A	0.296	7.98	0.058	0.472	3.4.21.26	NA
4	0.060	2rnpC	0.335	7.89	0.037	0.521	2.7.7.6	NA
5	0.060	2fgeA	0.311	7.94	0.024	0.491	3.4.24.-	NA
6	0.060	1s76D	0.304	8.41	0.046	0.502	2.7.7.6	NA
7	0.060	1llwA	0.327	8.21	0.044	0.529	1.4.7.1	NA
8	0.060	1kc7A	0.305	8.41	0.041	0.501	2.7.9.1	NA
9	0.060	1ob2A	0.184	7.58	0.078	0.283	3.6.1.48	564
10	0.060	1vbgA	0.298	8.68	0.065	0.505	2.7.9.1	NA
11	0.060	1ofdA	0.310	8.15	0.030	0.498	1.4.7.1	NA
12	0.060	3f2bA	0.301	8.42	0.042	0.496	2.7.7.7	16,31,272
13	0.060	3ikmD	0.297	7.94	0.035	0.465	2.7.7.7	68
14	0.060	3b9jI	0.104	5.67	0.100	0.137	1.17.1.4,1.17.3.2	NA
15	0.060	2vdcF	0.322	8.18	0.033	0.518	1.4.1.13	NA
16	0.060	2x0sA	0.300	8.39	0.067	0.492	2.7.9.1	NA
17	0.060	2pffA	0.347	8.33	0.043	0.564	2.3.1.41,2.3.1.86	NA
18	0.060	3h0gA	0.304	8.41	0.041	0.492	2.7.7.6	NA
19	0.060	2vdcA	0.325	8.43	0.036	0.532	1.4.1.13	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	0.06	0.280	8.40	0.04	0.46	1kblA	GO:0000166 GO:0003824 GO:0005524 GO:0006090 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0046872 GO:0050242
1	0.06	0.298	8.68	0.07	0.51	1vbgA	GO:0000166 GO:0003824 GO:0005524 GO:0005737 GO:0006090 GO:0009507 GO:0009536 GO:0015979 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0046872 GO:0050242
2	0.06	0.307	8.30	0.04	0.49	5bweA	GO:0003824 GO:0008152
3	0.06	0.300	8.39	0.07	0.49	2x0sA	GO:0003824 GO:0005524 GO:0006090 GO:0016301 GO:0016310 GO:0016772 GO:0020015 GO:0046872 GO:0050242
4	0.06	0.280	8.74	0.03	0.47	2pffA	GO:0000287 GO:0003824 GO:0004312 GO:0004315 GO:0004316 GO:0004321 GO:0005829 GO:0005835 GO:0006629 GO:0006631 GO:0006633 GO:0008152 GO:0008897 GO:0016491 GO:0016740 GO:0042759 GO:0046872 GO:0055114 GO:0102132
5	0.06	0.246	8.83	0.03	0.42	4fkeA	GO:0001525 GO:0001618 GO:0004177 GO:0005737 GO:0005886 GO:0006508 GO:0007275 GO:0008233 GO:0008237 GO:0008270 GO:0016020 GO:0016021 GO:0016032 GO:0016787 GO:0030154 GO:0042277 GO:0043171 GO:0046718 GO:0046872 GO:0070006
6	0.06	0.241	8.55	0.04	0.40	4mz0A	GO:0003824 GO:0008152 GO:0016740 GO:0031177 GO:0046872
7	0.06	0.235	8.84	0.04	0.40	5bp1A	GO:0003824 GO:0008152 GO:0016491 GO:0016740 GO:0016746 GO:0031177 GO:0050111 GO:0055114
8	0.06	0.247	8.09	0.04	0.39	2olsA	GO:0000166 GO:0003824 GO:0005524 GO:0006090 GO:0006094 GO:0008986 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0046872
9	0.06	0.225	8.02	0.04	0.36	2et6A	GO:0003824 GO:0005777 GO:0006629 GO:0006631 GO:0006635 GO:0008152 GO:0016491 GO:0016616 GO:0016829 GO:0016853 GO:0055114
10	0.06	0.220	8.62	0.03	0.37	4mz0B	GO:0003824 GO:0008152 GO:0016740 GO:0031177 GO:0046872
11	0.06	0.239	8.17	0.04	0.39	2wqdA	GO:0003824 GO:0005737 GO:0006810 GO:0008643 GO:0008965 GO:0009401 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0046872
12	0.06	0.242	7.87	0.05	0.38	2kx9A	GO:0000287 GO:0003824 GO:0005737 GO:0005829 GO:0006810 GO:0008643 GO:0008965 GO:0009401 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0019197 GO:0046872
13	0.06	0.231	8.31	0.05	0.38	3hx6A	GO:0005509 GO:0005737 GO:0005829 GO:0009289 GO:0016020 GO:0046872
14	0.06	0.233	8.04	0.04	0.37	4wkyA	GO:0003824 GO:0008152 GO:0031177
15	0.06	0.234	7.63	0.04	0.36	4opeA	GO:0003824 GO:0008152 GO:0016874 GO:0031177
16	0.06	0.237	7.88	0.03	0.37	4qyrA	GO:0003824 GO:0008152 GO:0031177
17	0.06	0.221	7.84	0.05	0.34	5e5nB	GO:0003824 GO:0005737 GO:0008152 GO:0016491 GO:0016740 GO:0016746 GO:0017000 GO:0031177 GO:0055114
18	0.06	0.200	7.19	0.08	0.30	4jgaA	GO:0003824 GO:0006633 GO:0008152 GO:0016740 GO:0016746 GO:0016747 GO:0033817

Consensus prediction of GO terms

Molecular Function	GO:0043169	GO:0032550	GO:0016781	GO:0032559	GO:0035639
GO-Score	0.46	0.36	0.36	0.36	0.36
Biological Processes	GO:0032787	GO:0006796
GO-Score	0.36	0.36
Cellular Component	GO:0009507	GO:0020015	GO:0005835
GO-Score	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.