I-TASSER results

I-TASSER results for job id Rv2585c

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

Input Sequence in FASTA format

>protein (557 residues)
MAPRRRRHTRIAGLRVVGTATLVAATTLTACSGSAAAQIDYVVDGALVTYNTNTVIGAAS
AGAQAFARTLTGFGYHGPDGQVVADRDFGTVSVVEGSPLILDYQISDDAVYSDGRPVTCD
DLVLAWAAQSGRFPGFDAATQAGYVDIANIECTAGQKKARVSFIPDRSVVDHSQLFTATS
LMPSHVIADQLHIDVTAALLSNNVSAVEQIARLWNSTWDLKPGRSHDEVRSRFPSSGPYK
IESVLDDGAVVLVANDRWWGTKAITKRITVWPQGADIQDRVNNRSVDVVDVAAGSSGSLV
TPDSYQRTDYPSAGIEQLIFAPQGSLAQSRTRRALALCVPRDAIARDAGVPIANSRLSPA
TDDALTDADGAAEARQFGRVDPAAARDALGGTPLTVRIGYGRPNARLAATIGTIADACAP
AGITVSDVTVDTPGPQALRDGKIDVLLASTGGATGSGSSGSCAMDAYDLHSGNGNNLSGY
ANAQIDGIISALAVSADPAERARLLAEAAPVLWDEMPTLPLYRQQRTLLMSTKMYAVSRN
PTRWGAGWNMDRWALAR

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MAPRRRRHTRIAGLRVVGTATLVAATTLTACSGSAAAQIDYVVDGALVTYNTNTVIGAASAGAQAFARTLTGFGYHGPDGQVVADRDFGTVSVVEGSPLILDYQISDDAVYSDGRPVTCDDLVLAWAAQSGRFPGFDAATQAGYVDIANIECTAGQKKARVSFIPDRSVVDHSQLFTATSLMPSHVIADQLHIDVTAALLSNNVSAVEQIARLWNSTWDLKPGRSHDEVRSRFPSSGPYKIESVLDDGAVVLVANDRWWGTKAITKRITVWPQGADIQDRVNNRSVDVVDVAAGSSGSLVTPDSYQRTDYPSAGIEQLIFAPQGSLAQSRTRRALALCVPRDAIARDAGVPIANSRLSPATDDALTDADGAAEARQFGRVDPAAARDALGGTPLTVRIGYGRPNARLAATIGTIADACAPAGITVSDVTVDTPGPQALRDGKIDVLLASTGGATGSGSSGSCAMDAYDLHSGNGNNLSGYANAQIDGIISALAVSADPAERARLLAEAAPVLWDEMPTLPLYRQQRTLLMSTKMYAVSRNPTRWGAGWNMDRWALAR
Prediction	CCCCCCCHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCEEEEHCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHCEEHCCCCCEEHCCCCEEEEEHCCCCCEEEEEHCCCCCCCCCCCCCHHHHHHHHHHHHCCCCCCCCCHHHHHHHCCCEEHCCCCCCCCCEEHCCEEHCCCEEEEEHCCCCCCHHHHHHHHHHCCCCCCCCCHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCEEEEEEHCCCEEEEEHCCCCCCCCCCCEEEEEHCCHHHHHHHHHHCCCCEEHCCHHHHHHHHHCCCCEEEHCCCCEEEEEHCCCCCCCCCHHHHHHHHHCCCHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHCCHHHHHHHHCCCCCEEEEEHCCCCHHHHHHHHHHHHHHHCHCCEEEEEEHCCHHHHHHHHCCCEEEEEHCCCCCCCCCCHHHHHHHHHCCCCCCCCCCCCCCHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHCCEEEEEHCCEEEEHCCCCCCEEHCCCCCCCCCCCEEEEHCC
Conf.Score	99887756789999999999999999985578999987999858888889976556778789999999876545668999866577656778985999789999889998889998878999999999989998876545555554455355467888863455656665866999977778755666555444455556788899999888764665567777766677888778988999998797899998898889886655789986858999999989998997888789999978998699857856988644588888898999999985899999999856677778888888889988754567654557999999998799968999987998899999999999976659889999857568999988995699987478889999866689887557899988999999999999999997899999999999999999998897888775657998587678675898887766544445549
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MAPRRRRHTRIAGLRVVGTATLVAATTLTACSGSAAAQIDYVVDGALVTYNTNTVIGAASAGAQAFARTLTGFGYHGPDGQVVADRDFGTVSVVEGSPLILDYQISDDAVYSDGRPVTCDDLVLAWAAQSGRFPGFDAATQAGYVDIANIECTAGQKKARVSFIPDRSVVDHSQLFTATSLMPSHVIADQLHIDVTAALLSNNVSAVEQIARLWNSTWDLKPGRSHDEVRSRFPSSGPYKIESVLDDGAVVLVANDRWWGTKAITKRITVWPQGADIQDRVNNRSVDVVDVAAGSSGSLVTPDSYQRTDYPSAGIEQLIFAPQGSLAQSRTRRALALCVPRDAIARDAGVPIANSRLSPATDDALTDADGAAEARQFGRVDPAAARDALGGTPLTVRIGYGRPNARLAATIGTIADACAPAGITVSDVTVDTPGPQALRDGKIDVLLASTGGATGSGSSGSCAMDAYDLHSGNGNNLSGYANAQIDGIISALAVSADPAERARLLAEAAPVLWDEMPTLPLYRQQRTLLMSTKMYAVSRNPTRWGAGWNMDRWALAR
Prediction	74543442200000000000001000000001355554130016441431213302223220010010001000321671322134210432513755220102416604425343020400100020013443514201221033033044246655240542344313422020204311011112330312111002223362045205422541434444434334511000202204512473303011265214662122401011226302310423201102032741551376661422422100000000034421533401200010022420053013311321111113201443421464363261326201511774604010102274521220010014205715040424424241243046230000000000000010000000110223242120202011640150054047342462035004400510161000000000100100024022020101110000001430268
	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

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

Sec.Str
Seq

CCCCCCCHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCEEEEHCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHCEEHCCCCCEEHCCCCEEEEEHCCCCCEEEEEHCCCCCCCCCCCCCHHHHHHHHHHHHCCCCCCCCCHHHHHHHCCCEEHCCCCCCCCCEEHCCEEHCCCEEEEEHCCCCCCHHHHHHHHHHCCCCCCCCCHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCEEEEEEHCCCEEEEEHCCCCCCCCCCCEEEEEHCCHHHHHHHHHHCCCCEEHCCHHHHHHHHHCCCCEEEHCCCCEEEEEHCCCCCCCCCHHHHHHHHHCCCHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHCCHHHHHHHHCCCCCEEEEEHCCCCHHHHHHHHHHHHHHHCHCCEEEEEEHCCHHHHHHHHCCCEEEEEHCCCCCCCCCCHHHHHHHHHCCCCCCCCCCCCCCHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHCCEEEEEHCCEEEEHCCCCCCEEHCCCCCCCCCCCEEEEHCC
MAPRRRRHTRIAGLRVVGTATLVAATTLTACSGSAAAQIDYVVDGALVTYNTNTVIGAASAGAQAFARTLTGFGYHGPDGQVVADRDFGTVSVVEGSPLILDYQISDDAVYSDGRPVTCDDLVLAWAAQSGRFPGFDAATQAGYVDIANIECTAGQKKARVSFIPDRSVVDHSQLFTATSLMPSHVIADQLHIDVTAALLSNNVSAVEQIARLWNSTWDLKPGRSHDEVRSRFPSSGPYKIESVLDDGAVVLVANDRWWGTKAITKRITVWPQGADIQDRVNNRSVDVVDVAAGSSGSLVTPDSYQRTDYPSAGIEQLIFAPQGSLAQSRTRRALALCVPRDAIARDAGVPIANSRLSPATDDALTDADGAAEARQFGRVDPAAARDALGGTPLTVRIGYGRPNARLAATIGTIADACAPAGITVSDVTVDTPGPQALRDGKIDVLLASTGGATGSGSSGSCAMDAYDLHSGNGNNLSGYANAQIDGIISALAVSADPAERARLLAEAAPVLWDEMPTLPLYRQQRTLLMSTKMYAVSRNPTRWGAGWNMDRWALAR

2z23A

0.17

0.16

0.90

3.29

MUSTER

------------------------ANVPTGVQLAEKQVLVRNNGSEPQSLDPHKIEG--VPESNISRDLLEGLVINDPNGNIVP--GAAESWDN-KDFKVWTFNIRKDAKWSNGDPVTAQDFVYSWQRLADPKTVSPYASYLQYAHLTNIDDIITGK-AAPDTLGVKALDDHTLEVTLSEPVP-----YLDKLLAHPLMSPVNKTVVEKFGEKWTQ-------------PQNFVGNGAYKLKDWIVNERIVLERSPTYWDNAKTVIQVTYLSSEVTDVNRYRSGEIDMTNMPIELFQKLKKEIPDQVHVDPYLCTYYYEINNKAPFTDARVREALKLGMDRDIIVNKVKNQPAYGFTPPYTSGAELTPPEWFSWT--QEKRNEVAKKLLADNPLKFSLLYNTSDLHKKLAIAAASIWKKNLGVDVKLENQEWTFLDTRHQGTYDVARAAWCADYNEPSSFLNMML-----SNSSNNTTHYKSSVFDKLIEDTLKVKSEKERADLYQQAEIQLDKDSAIVPVFYYVSARLVKPYVGGYTGKDPLDNMHV---KDLYII

2z23A

0.17

0.15

0.90

4.47

dPPAS

------------------------ANVPTGVQLAEKQVLVRNNGSEPQSLDPHKIEG--VPESNISRDLLEGLVINDPNGNIVP--GAAESWDN-KDFKVWTFNIRKDAKWSNGDPVTAQDFVYSWQRLADPKTVSPYASYLQYAHLTNIDDIITGK-AAPDTLGVKALDDHTLEVTLSEPVP-----YLDKLLAHPLMSPVNKTVVEKFGEKWTQ-------------PQNFVGNGAYKLKDWIVNERIVLERSPTYWDNAKTVINQVTYLSEVTDVNRYRSGEIDMTNMPIELFQKLKKEIPDQVHVDPYLCTYYYEINNKAPFTDARVREALKLGMDRDIIVNKVKNQPAYGFTPPYTSGAELTPPEWFSWTQEKR--NEVAKKLLADNPLKFSLLYNTSDLHKKLAIAAASIWKKNLGVDVKLENQEWTFLDTRHQGTYDVARAAWCADYNE---PSSFLNMML--SNSSNNTTHYKSSVFDKLIEDTLKVKSEKERADLYQQAEIQLDKDSAIVPVFYYVSARLVKPYVGGYTGKDPLDNMHV---KDLYII

2z23A

0.17

0.16

0.90

4.69

wdPPAS

------------------------ANVPTGVQLAEKQVLVRNNGSEPQSLDPHKIEG--VPESNISRDLLEGLVINDPNGNIVP--GAAESWDN-KDFKVWTFNIRKDAKWSNGDPVTAQDFVYSWQRLADPKTVSPYASYLQYAHLTNIDDIITGK-AAPDTLGVKALDDHTLEVTLSEPVP-----YLDKLLAHPLMSPVNKTVVEKFGEKWTQ-------------PQNFVGNGAYKLKDWIVNERIVLERSPTYWDNATVINQVTYLSSEVTDVNRYRSGEIDMTNMPIELFQKLKKEIPDQVHVDPYLCTYYYEINNKAPFTDARVREALKLGMDRDIIVNKVKNQPAYGFTPPYTSGAELTPPEWFSWT--QEKRNEVAKKLLAEAPLKFSLLYNTSDLHKKLAIAAASIWKKNLGVDVKLENQEWTFLDTRHQGTYDVARAAWCADYNEPSSFLNMML-----SNSSNNTTHYKSSVFDKLIEDTLKVKSEKERADLYQQAEIQLDKDSAIVPVFYYVSARLVKPYVGGYTGKDPLDNMH---VKDLYII

2z23A

0.18

0.16

0.90

4.23

wMUSTER

------------------------ANVPTGVQLAEKQVLVRNNGSEPQSLDPHKIEGV--PESNISRDLLEGLVINDPNGNIVP--GAAESWDN-KDFKVWTFNIRKDAKWSNGDPVTAQDFVYSWQRLADPKTVSPYASYLQYAHLTNIDDIITGK-AAPDTLGVKALDDHTLEVTLSEPVP-----YLDKLLAHPLMSPVNKTVVEKFGEKWTQ-------------PQNFVGNGAYKLKDWIVNERIVLERSPTYWDNATVINQVTYLSSEVTDVNRYRSGEIDMTNMPIELFQKLKKEIPDQVHVDPYLCTYYYEINNKAPFTDARVREALKLGMDRDIIVNKVKNQPAYGFTPPYTSGAELTPPEWFSWT--QEKRNEVAKKLLADNPLKFSLLYNTSDLHKKLAIAAASIWKKNLGVDVKLENQEWTFLDTRHQGTYDVARAAWCADYNEPSSFLNMML-----SNSSNNTTHYKSSVFDKLIEDTLKVKSEKERADLYQQAEIQLDKDSAIVPVFYYVSARLVKPYVGGYTGDPLDNMHVKDL---YIIK

2z23A

0.17

0.16

0.90

4.53

wPPAS

------------------------ANVPTGVQLAEKQVLVRNNGSEPQSLDPHKIEG--VPESNISRDLLEGLVINDPNGNIVP--GAAESWDN-KDFKVWTFNIRKDAKWSNGDPVTAQDFVYSWQRLADPKTVSPYASYLQYAHLTNIDDIITGK-AAPDTLGVKALDDHTLEVTLSEPVP-----YLDKLLAHPLMSPVNKTVVEKFGEKWTQ-------------PQNFVGNGAYKLKDWIVNERIVLERSPTYWDNAKTINQVTYLSSEVTDVNRYRSGEIDMTNMPIELFQKLKKEIPDQVHVDPYLCTYYYEINNKAPFTDARVREALKLGMDRDIIVNKVKNQPAYGFTPPYTSGAELTPPEWFSWT--QEKRNEVAKKLLAEAPLKFSLLYNTSDLHKKLAIAAASIWKKNLGVDVKLENQEWTFLDTRHQGTYDVARAAWCADYNEPSSFLNMML-----SNSSNNTTHYKSSVFDKLIEDTLKVKSEKERADLYQQAEIQLDKDSAIVPVFYYVSARLVKPYVGGYTGKDPLDNMHV---KDLYII

2z23A

0.17

0.15

0.90

4.66

dPPAS2

------------------------ANVPTGVQLAEKQVLVRNNGSEPQSLDPHKIEG--VPESNISRDLLEGLVINDPNGNIVP--GAAESWDN-KDFKVWTFNIRKDAKWSNGDPVTAQDFVYSWQRLADPKTVSPYASYLQYAHLTNIDDIITGK-AAPDTLGVKALDDHTLEVTLSEPVP-----YLDKLLAHPLMSPVNKTVVEKFGEKWTQ-------------PQNFVGNGAYKLKDWIVNERIVLERSPTYWDNAKTVINQVTYLSEVTDVNRYRSGEIDMTNMPIELFQKLKKEIPDQVHVDPYLCTYYYEINNKAPFTDARVREALKLGMDRDIIVNKVKNQPAYGFTPPYTSGAELTPPEWFSWTQEKR--NEVAKKLLADNPLKFSLLYNTSDLHKKLAIAAASIWKKNLGVDVKLENQEWTFLDTRHQGTYDVARAAWCADYNE---PSSFLNMML--SNSSNNTTHYKSSVFDKLIEDTLKVKSEKERADLYQQAEIQLDKDSAIVPVFYYVSARLVKPYVGGYTGKDPLDNMHV---KDLYII

2z23A

0.17

0.15

0.90

4.40

PPAS

------------------------ANVPTGVQLAEKQVLVRNNGSEPQSLDPHKIEG--VPESNISRDLLEGLVINDPNGNIVP--GAAESWDN-KDFKVWTFNIRKDAKWSNGDPVTAQDFVYSWQRLADPKTVSPYASYLQYAHLTNIDDIITGKA-APDTLGVKALDDHTLEVTLSEPVP-----YLDKLLAHPLMSPVNKTVVEKFGEKWTQ-------------PQNFVGNGAYKLKDWIVNERIVLERSPTYWDNAKTVIQVTYLSSEVTDVNRYRSGEIDMTNMPIELFQKLKKEIPDQVHVDPYLCTYYYEINNKAPFTDARVREALKLGMDRDIIVNKVGDLPAYGFTPPYTSGAELTPPEWFSWT--QEKRNEVAKKLLADNPLKFSLLYNTSDLHKKLAIAAASIWKKNLGVDVKLENQEWTFLDTRHQGTYDVARAAWCADYNE---PSSFLNMML--SNSSNNTTHYKSSVFDKLIEDTLKVKSEKERADLYQQAEIQLDKDSAIVPVFYYVSARLVKPYVGGYTGKDPLDNMHV---KDLYII

3zs6A

0.16

0.14

0.88

5.47

Env-PPAS

--------------------------------LADQQDLTRQVPAEVESLDPAHIESW--TGNTIGLDLFEGLARIDASGAVVP--GVAQAWEHK-APDTWIFKLRRDAKWSNGQPVTAADFVYAWQRLADPKTGSKYTILVEF--VKNASAIIAGK-QPPGDLGIRAIDPYTIEVKTEVPVS-----YFPELTAMAPLTPVNKDAVAKFGDAWTR-------------PKNIVSNGPYTLVDWQPNNRIVMAKSDKYWNARNVVIRKVTYLNDETALRMYQAGQIDYTSIPAGGFGQISKQFGKELRPGLQLATYYYYLKNDPALKDKRVREALAMVLDREILTSKIGEVPMYGLMPKGVKG-VQRPFTPDWASWPMARRVDYAKNLLKANPLTFTLTYNTNDLHKKVALFAASEWRTKLGVTAKLENVEFVLMKQRHDGKVQIARDGWFA---DYNDAMTFFDLI--RCGSSQNTVGYCNPKVDSLVAEANQKLDDGARAALLTQAHDLAMNDYPMVPLFQYSADRLVKSYVGGYTLTNYIDMRAS---QDMYLI

3zs6A

0.16

0.14

0.88

3.24

MUSTER

--------------------------------LADQQDLTRQVPAEVESLDPAHIES--WTGNTIGLDLFEGLARIDASGAVVP--GVAQAWEHK-APDTWIFKLRRDAKWSNGQPVTAADFVYAWQRLADPKTGSKYTILVEF--VKNASAIIAGK-QPPGDLGIRAIDPYTIEVKTEVPVS-----YFPELTAMAPLTPVNKDAVAKFGDAWTR-------------PKNIVSNGPYTLVDWQPNNRIVMAKSDKYWNARNVVIKVTYLPNDETALRMYQAGQIDYTYIPAGGFGQISKQFGKELRPGLQLATYYYYLKNSPALKDKRVREALAMVLDREILTSKITQAPMYGLMPKGVKG-VQRPFTPDWASWPMARRVDYAKNLLKANPLTFTLTYNTNDLHKKVALFAASEWRTKLGVTAKLENVEFVLMKQRHDGKVQIARDGWFADYNDAMTFFDLI-----RCGSSQNTVGYCNPKVDSLVAEANQKLDDGARAALLTQAHDLAMNDYPMVPLFQYSADRLVKSYVGGYTLTNYIDMRAS---QDMYLI

3zs6A

0.16

0.14

0.88

4.42

dPPAS

--------------------------------LADQQDLTRQVPAEVESLDPAHIES--WTGNTIGLDLFEGLARIDASGAVVP--GVAQAWEHKAPD-TWIFKLRRDAKWSNGQPVTAADFVYAWQRLADPKTGSKYTILVEF--VKNASAIIAGK-QPPGDLGIRAIDPYTIEVKTEVPVS-----YFPELTAMAPLTPVNKDAVAKFGDAWTR-------------PKNIVSNGPYTLVDWQPNNRIVMAKSDKYWNARNVVIRKVTYLNDETALRMYQAGQIDYTSIPAGGFGQISKQFGKELRPGLQLATYYYYLKNDPALKDKRVREALAMVLDREILTSKITQAPMYGLMPKGVKGVQ-RPFTPDWASWPMARRVDYAKNLLKANPLTFTLTYNTNDLHKKVALFAASEWRTKLGVTAKLENVEFVLMKQRHDGKVQIARDGWFA---DYNDAMTFFDLI--RCGSSQNTVGYCNPKVDSLVAEANQKLDDGARAALLTQAHDLAMNDYPMVPLFQYSADRLVKSYVGGYTLTNYIDMRA---SQDMYLI

(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=0.40

Estimated TM-score = 0.77±0.10

Estimated RMSD = 6.7±4.0Å

Download Model 2

C-score=-1.34

Download Model 3

C-score=0.09

Download Model 4

C-score=-1.14

Download Model 5

C-score=-2.21

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	2z23A	0.885	1.01	0.174	0.898
2	3o9pA	0.864	1.33	0.172	0.885
3	3zs6A	0.857	1.44	0.157	0.881
4	4gl8A	0.829	1.93	0.128	0.869
5	4fajA	0.821	2.03	0.122	0.865
6	5kztA	0.814	2.14	0.148	0.864
7	2d5wA	0.787	2.88	0.147	0.864
8	1dppA	0.786	2.56	0.148	0.851
9	1xocA	0.783	2.74	0.118	0.855
10	3i5oA	0.771	3.47	0.139	0.873

(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	0.49	70	1b1hA	III	Rep, Mult	56,57,60,63,138,290,312,432,435,438,439,447,449,450,451,452,453,477,524
2	0.06	14	3e3kB	HCT	Rep, Mult	55,63,135,138,198,451,455,469,470
3	0.02	4	3drjA	III	Rep, Mult	314,449,450,451,452,453,475,478
4	0.02	3	4fajA	III	Rep, Mult	45,56,57,60,63,275,290,314,316,349,401,405,406,409,434,435,438,449,450,451,453,475,522,524
5	0.02	3	2olbA	IUM	Rep, Mult	98,183,498
6	0.02	5	3drkA	III	Rep, Mult	314,449,450,451,452,453,460,461,465
7	0.01	1	3o9pA	ZN	Rep, Mult	355,359
8	0.01	2	1olcA	IUM	Rep, Mult	275,294,404,408
9	0.01	3	3m8uA	GDS	Rep, Mult	45,56,57,58,61,63,64,138,449,450,451,453,526,527,528,539,544
10	0.01	1	1olcA	IUM	Rep, Mult	323,396,397,444
11	0.01	2	4ze9A	AGR	Rep, Mult	46,47,48,57,60,61,197,314,401,430,434,448,449,450,451,466
12	0.01	2	1uqwA	ZN	Rep, Mult	306,308,530
13	0.01	1	4fajA	ZN	Rep, Mult	300,350
14	0.01	1	4fajA	ZN	Rep, Mult	260,263
15	0.01	2	3e3kC	HCT	Rep, Mult	55,63,135,138,198,439,451,469,470
16	0.00	1	1vr5A	NA	Rep, Mult	147,148,149,165,166,176,178
17	0.00	1	1uqwA	ZN	Rep, Mult	402,404
18	0.00	1	1zu0A	CBS	Rep, Mult	42,43,44,45,274,290,291,404,406,407,449,450,451,474,475,527,548
19	0.00	1	1xocA	ZN	Rep, Mult	95,97,100,102
20	0.00	1	1xocA	ZN	Rep, Mult	167,177

	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	2ow6A	0.322	7.82	0.061	0.540	3.2.1.114	171
2	0.060	1z68A	0.336	6.77	0.032	0.504	3.4.21.-	NA
3	0.060	1bxrA	0.356	7.19	0.057	0.551	6.3.5.5	123
4	0.060	2jbvB	0.343	7.28	0.069	0.539	1.1.3.17	NA
5	0.060	1g5aA	0.325	8.09	0.057	0.548	2.4.1.4	125
6	0.060	1t3tA	0.337	7.13	0.060	0.517	6.3.5.3	NA
7	0.060	1q16A	0.285	8.25	0.022	0.492	1.7.99.4	NA
8	0.060	1peuA	0.326	7.07	0.063	0.495	1.17.4.1	NA
9	0.060	3fimB	0.341	7.20	0.029	0.530	1.1.3.7	NA
10	0.060	1wdlA	0.329	7.89	0.059	0.542	5.3.3.8,5.1.2.3,4.2.1.17,1.1.1.35	127
11	0.060	3g0bB	0.327	7.36	0.030	0.510	3.4.14.5	NA
12	0.060	2z8yD	0.327	7.85	0.060	0.535	1.2.7.4,1.2.99.2	236,241
13	0.060	2j5wA	0.331	7.43	0.046	0.526	1.16.3.1	NA
14	0.060	1ofdA	0.339	8.05	0.051	0.573	1.4.7.1	NA
15	0.060	3bq5A	0.370	7.83	0.039	0.621	2.1.1.14	NA
16	0.060	1ahpA	0.329	8.08	0.043	0.564	2.4.1.1	NA
17	0.060	1ea0A	0.318	7.85	0.053	0.528	1.4.1.13	NA
18	0.060	1e5tA	0.321	7.31	0.053	0.503	3.4.21.26	112
19	0.060	3czkA	0.331	8.01	0.037	0.555	3.2.1.48	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	0.35	0.881	1.18	0.17	0.90	3tcfA	GO:0006810 GO:0006857 GO:0009408 GO:0015031 GO:0015197 GO:0015833 GO:0030288 GO:0042597 GO:0043190 GO:0055085
1	0.33	0.783	2.74	0.12	0.85	1xocA	GO:0005886 GO:0006810 GO:0015031 GO:0015197 GO:0015833 GO:0016020 GO:0030288 GO:0030420 GO:0030435 GO:0043190 GO:0055085
2	0.29	0.857	1.44	0.16	0.88	3zs6A	GO:0043190 GO:0055085
3	0.28	0.791	3.55	0.11	0.90	3rybA	GO:0043190 GO:0055085
4	0.24	0.744	3.25	0.12	0.84	4ze8A	GO:0043190 GO:0055085
5	0.23	0.589	5.22	0.09	0.78	3t66A	GO:0043190 GO:0055085
6	0.20	0.885	1.01	0.17	0.90	2z23A	GO:0043190 GO:0055085
7	0.19	0.883	1.08	0.18	0.90	1b05A	GO:0006810 GO:0015031 GO:0015197 GO:0015833 GO:0030288 GO:0042597 GO:0043190 GO:0055085
8	0.17	0.829	1.93	0.13	0.87	4gl8A	GO:0043190 GO:0055085
9	0.16	0.821	2.03	0.12	0.87	4fajA	GO:0043190 GO:0046872 GO:0055085
10	0.15	0.778	2.89	0.13	0.86	4qflA	GO:0043190 GO:0055085
11	0.14	0.787	2.88	0.15	0.86	2d5wA
12	0.14	0.771	3.47	0.14	0.87	3i5oA	GO:0015197 GO:0030288 GO:0042884 GO:0046872
13	0.14	0.790	2.50	0.14	0.85	5f1qA	GO:0043190 GO:0055085
14	0.14	0.746	3.88	0.14	0.88	2wopA	GO:0033050 GO:0043190 GO:0055085
15	0.14	0.755	3.46	0.12	0.86	4gfrA	GO:0015197 GO:0015833 GO:0030288 GO:0042626 GO:0043190 GO:0046872 GO:0055085
16	0.13	0.762	3.50	0.15	0.87	4pfyA	GO:0015197 GO:0030288 GO:0042884 GO:0043190 GO:0046872 GO:0055085
17	0.13	0.748	3.11	0.13	0.84	3e3kB	GO:0006810 GO:0015197 GO:0015675 GO:0015833 GO:0016151 GO:0020037 GO:0030288 GO:0042597 GO:0043190 GO:0046914 GO:0050919 GO:0055085
18	0.13	0.767	2.95	0.12	0.85	3m8uA	GO:0043190 GO:0055085
19	0.12	0.675	4.47	0.12	0.83	1uqwA	GO:0006810 GO:0006974 GO:0030288 GO:0034634 GO:0034775 GO:0042597 GO:0043190 GO:0055085
20	0.12	0.683	4.34	0.13	0.84	2grvA	GO:0006629 GO:0008654 GO:0009247 GO:0009405 GO:0046488
21	0.11	0.717	3.69	0.12	0.84	4oetA	GO:0043190 GO:0055085
22	0.10	0.695	4.11	0.14	0.84	5isuA	GO:0015197 GO:0015833 GO:0030288 GO:0043190 GO:0055085
23	0.10	0.664	5.04	0.13	0.86	4tozA	GO:0006810 GO:0015031 GO:0015197 GO:0015833 GO:0030288 GO:0042597 GO:0042939 GO:0043190 GO:0055085
24	0.09	0.641	4.58	0.09	0.80	4ofoA	GO:0015197 GO:0015833 GO:0030288 GO:0043190 GO:0055085
25	0.08	0.668	5.13	0.10	0.87	4onyA	GO:0043190 GO:0055085
26	0.07	0.605	5.23	0.08	0.80	4oerA	GO:0015675 GO:0016151 GO:0020037 GO:0043190 GO:0055085

Consensus prediction of GO terms

Molecular Function	GO:0015197
GO-Score	0.57
Biological Processes	GO:0055085	GO:0015031	GO:0009408	GO:0006857	GO:0030420	GO:0030435
GO-Score	0.83	0.57	0.35	0.35	0.33	0.33
Cellular Component	GO:0043190	GO:0030288
GO-Score	0.83	0.57

(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.