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I-TASSER results for job id S34188

Submitted Sequence

>mutante
GNRDFVEGLSGATWVDVVLEHGSCVTTMAKNKPTLDIELLKTEVTNPAVLRKLCIEAKIS
NTTTDSRCPTQGEATLVEEQDANFVCRRTFVDRGWGNGCGLFGKGSLLTCAKFKCVTKLE
GKIVQYENLKYSVIVTVHTGDQHQVGNETTEHGTIATITPQAPTSEIQLTDYGALTLDCS
PRTGLDFNEMVLLTMKEKSWLVHKQWFLDLPLPWTSGASTSQETWNRQDLLVTFKTAHAK
KQEVVVLGSQEGAMHTALTGATEIQTSGTTTIFAGHLKCRLKMDKLTLKGTSYVMCTGSF
KLEKEVAETQHGTVLVQVKYEGTDAPCKIPFSTQDEKGVTQNGRLITANPIVTDKEKPVN
IETEPPFGESYIVVGAGEKALKLSWFKKGSSIGKMFEAIARGARRMAILGDTAWDFGSIG
GVFTSVGKLVHQVFGTAYGVLFSGVSWTMKIGIGILLTWLGLNSRSTSLSMTCIAVGMVT
LYLGVMVQA

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| GNRDFVEGLSGATWVDVVLEHGSCVTTMAKNKPTLDIELLKTEVTNPAVLRKLCIEAKISNTTTDSRCPTQGEATLVEEQDANFVCRRTFVDRGWGNGCGLFGKGSLLTCAKFKCVTKLEGKIVQYENLKYSVIVTVHTGDQHQVGNETTEHGTIATITPQAPTSEIQLTDYGALTLDCSPRTGLDFNEMVLLTMKEKSWLVHKQWFLDLPLPWTSGASTSQETWNRQDLLVTFKTAHAKKQEVVVLGSQEGAMHTALTGATEIQTSGTTTIFAGHLKCRLKMDKLTLKGTSYVMCTGSFKLEKEVAETQHGTVLVQVKYEGTDAPCKIPFSTQDEKGVTQNGRLITANPIVTDKEKPVNIETEPPFGESYIVVGAGEKALKLSWFKKGSSIGKMFEAIARGARRMAILGDTAWDFGSIGGVFTSVGKLVHQVFGTAYGVLFSGVSWTMKIGIGILLTWLGLNSRSTSLSMTCIAVGMVTLYLGVMVQA
Prediction	CCCCCCCCCCCCSSSSSSSSCCCSSSSSCCCCCCSSSSSSSCCCCCHHHHHHHSSSSSSCCCCCCCCCCCCCCCCCCHHCCCCSSSCCCCSSCCCCCCCCCCCCCCSSSSSSSSSCCCCCCCSSCCCCSSSSSSSSSCCCCCCCCCCCCCCCCCSSSSCCCCCCSSSSCCCCCSSSSSSCCCCCCCHHHSSSSSSCCCSSSSSHHHHHCCCCCCCCCCCCCCCCCCCCSSSSSSCCCCCCCCSSSSSCCCCCHHHHHHCCCSSSSSCCCCSSSSCCSSSSSSCHHHSSCCCSSSSSCCCSSSSSCCCCCCCCSSSSSSSSCCCCCCCCCSSSSCCCCCCCSCCSSSSSCCSSSCCCCCSSSSCCCCCCCSSSSSSSCCCCSSSSSSCCCCHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHCCCCCCCCCSSSSCHHHHHSSSSSSSSSCC
Conf.Score	985200347787589999827958887428986225898730056678876434357712542445589888766742307644510350643555654565787626875557245553537321232689999954787432377500167079986788607997578747988715776888225699996362489871244258888879987787651111347995277755433999804400677774075589865872777231246654022141660654433416998411125783499999982389972132686045776053338986874763888215760499986389998457706776523887799999999876776655355401244433110457889999988888865176068788889998862022677750455304211112457634319

Top 5 Models predicted by I-TASSER


Download Model 1	Download Model 2	Download Model 3	Download Model 4	Download Model 5
C-score= 1.18	C-score=-2.67	C-score=-3.07	C-score=-2.90	C-score=-2.78

Estimated accuracy of Model1: 0.88±0.07 (TM-score) 4.8±3.1Å (RMSD) (Read more about C-score of generated models)

Top 10 templates used by I-TASSER

Rank

PDB
Hit

Iden1

Iden2

Cov.

Norm.
Z-score

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

Sec.Str
Seq

CCCCCCCCCCCCSSSSSSSSCCCSSSSSCCCCCCSSSSSSSCCCCCHHHHHHHSSSSSSCCCCCCCCCCCCCCCCCCHHCCCCSSSCCCCSSCCCCCCCCCCCCCCSSSSSSSSSCCCCCCCSSCCCCSSSSSSSSSCCCCCCCCCCCCCCCCCSSSSCCCCCCSSSSCCCCCSSSSSSCCCCCCCHHHSSSSSSCCCSSSSSHHHHHCCCCCCCCCCCCCCCCCCCCSSSSSSCCCCCCCCSSSSSCCCCCHHHHHHCCCSSSSSCCCCSSSSCCSSSSSSCHHHSSCCCSSSSSCCCSSSSSCCCCCCCCSSSSSSSSCCCCCCCCCSSSSCCCCCCCSCCSSSSSCCSSSCCCCCSSSSCCCCCCCSSSSSSSCCCCSSSSSSCCCCHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHCCCCCCCCCSSSSCHHHHHSSSSSSSSSCC
GNRDFVEGLSGATWVDVVLEHGSCVTTMAKNKPTLDIELLKTEVTNPAVLRKLCIEAKISNTTTDSRCPTQGEATLVEEQDANFVCRRTFVDRGWGNGCGLFGKGSLLTCAKFKCVTKLEGKIVQYENLKYSVIVTVHTGDQHQVGNETTEHGTIATITPQAPTSEIQLTDYGALTLDCSPRTGLDFNEMVLLTMKEKSWLVHKQWFLDLPLPWTSGASTSQETWNRQDLLVTFKTAHAKKQEVVVLGSQEGAMHTALTGATEIQTSGTTTIFAGHLKCRLKMDKLTLKGTSYVMCTGSFKLEKEVAETQHGTVLVQVKYEGTDAPCKIPFSTQDEKGVTQNGRLITANPIVTDKEKPVNIETEPPFGESYIVVGAGEKALKLSWFKKGSSIGKMFEAIARGARRMAILGDTAWDFGSIGGVFTSVGKLVHQVFGTAYGVLFSGVSWTMKIGIGILLTWLGLNSRSTSLSMTCIAVGMVTLYLGVMVQA

1uzgA

0.77

0.61

0.79

2.76

Download

GNRDFVEGLSGATWVDVVLEHGGCVTTMAKNKPTLDIELQKTEATQLATLRKLCIEGKITNITTDSRCPTQGEAILPEEQDQNYVCKHTYVDRGWGNGCGLFGKGSLVTCAKFQCLESIEGKIVQHENLKYTVIITVHTGDQHQVGNET--QGVTAEITSQASTAEAILPEYGTLGLECSPRTGLDFNEMILLTMKDKAWMVHRQWFFDLPLPWTSGATTKTPTWNRKELLVTFKNAHAKKQEVVVLGSQEGAMHTALTGATEIQTSGGTSIFAGHLKCRLKMDKLKLKGMSYAMCLNTFVLKKEVSETQHGTILIKVEYKGEDAPCKIPFSTEDGQGKAHNGRLITANPVVTKKEEPVNIEAEPPFGESNIVIGIGDKALKINWYRK-----------------------------------------------------------------------------------------------------

1p58A

0.69

0.68

0.99

7.89

Download

SNRDFVEGVSGGSWVDIVLEHGSCVTTMAKNKPTLDFELIKTEAKQPATLRKYCIEAKLTNTTTDSRCPTQGEPTLNEEQDKRFVCKHSMVDRGWGNGCGLFGKGGIVTCAMFTCKKNMEGKIVQPENLEYTVVITPHSGEEHAVGNDTGKHGKEVKITPQSSITEAELTGYGTVTMECSPRTGLDFNEMVLLQMKDKAWLVHRQWFLDLPLPWLPGADTQGSNWIQKETLVTFKNPHAKKQDVVVLGSQEGAMHTALTGATEIQMSSGNLLFTGHLKCRLRMDKLQLKGMSYSMCTGKFKVVKEIAETQHGTIVIRVQYEGDGSPCKIPFEIMDLEKRHVLGRLITVNPIVTEKDSPVNIEAEPPFGDSYIIIGVEPGQLKLDWFKK-----QMFETTMRGAKRMAILGDTAWDFGSLGGVFTSIGKALHQVFGAIYGAAFSGVSWTMKILIGVIITWIGMNSRSTSLSVSLVLVGIVTLYLGVMVQ-

1p58A

0.69

0.68

0.99

5.82

Download

SNRDFVEGVSGGSWVDIVLEHGSCVTTMAKNKPTLDFELIKTEAKQPATLRKYCIEAKLTNTTTDSRCPTQGEPTLNEEQDKRFVCKHSMVDRGWGNGCGLFGKGGIVTCAMFTCKKNMEGKIVQPENLEYTVVITPHSGEEHAVGNDTGKHGKEVKITPQSSITEAELTGYGTVTMECSPRTGLDFNEMVLLQMKDKAWLVHRQWFLDLPLPWLPGADTQGSNWIQKETLVTFKNPHAKKQDVVVLGSQEGAMHTALTGATEIQMSSGNLLFTGHLKCRLRMDKLQLKGMSYSMCTGKFKVVKEIAETQHGTIVIRVQYEGDGSPCKIPFEIMDLEKRHVLGRLITVNPIVTEKDSPVNIEAEPPFGDSYIIIGVEPGQLKLDWFKK-----QMFETTMRGAKRMAILGDTAWDFGSLGGVFTSIGKALHQVFGAIYGAAFSGVSWTMKILIGVIITWIGMNSRSTSLSVSLVLVGIVTLYLGVMVQA

1oamA

0.68

0.54

0.79

7.53

Download

SNRDFVEGVSGGSWVDIVLEHGSCVTTMAKNKPTLDFELIKTEAKQPATLRKYCIEAKLTNTTTESRCPTQGEPTLNEEQDKRFVCKHSMVDRGWGNGCGLFGKGGIVTCAMFTCKKNMEGKIVQPENLEYTVVITPHSGEEHAVGNDTGKHGKEVKITPQSSITEAELTGYGTVTMECSPRTGLDFNEMVLLQMKDKAWLVHRQWFLDLPLPWLPGADTQGSNWIQKETLVTFKNPHAKKQDVVVLGSQEGAMHTALTGATEIQMSSGNLLFTGHLKCRLRMDKLQLKGMSYSMCTGKFKVVKEIAETQHGTIVIRVQYEGDGSPCKIPFEIMDLEKRHVLGRLITVNPIVTEKDSPVNIEAEPPFGDSYIIIGVEPGQLKLNWFKK-----------------------------------------------------------------------------------------------------

1p58A

0.69

0.68

0.99

5.81

Download

SNRDFVEGVSGGSWVDIVLEHGSCVTTMAKNKPTLDFELIKTEAKQPATLRKYCIEAKLTNTTTDSRCPTQGEPTLNEEQDKRFVCKHSMVDRGWGNGCGLFGKGGIVTCAMFTCKKNMEGKIVQPENLEYTVVITPHSGEEHAVGNDTGKHGKEVKITPQSSITEAELTGYGTVTMECSPRTGLDFNEMVLLQMKDKAWLVHRQWFLDLPLPWLPGADTQGSNWIQKETLVTFKNPHAKKQDVVVLGSQEGAMHTALTGATEIQMSSGNLLFTGHLKCRLRMDKLQLKGMSYSMCTGKFKVVKEIAETQHGTIVIRVQYEGDGSPCKIPFEIMDLEKRHVLGRLITVNPIVTEKDSPVNIEAEPPFGDSYIIIGVEPGQLKLDWFKK-----QMFETTMRGAKRMAILGDTAWDFGSLGGVFTSIGKALHQVFGAIYGAAFSGVSWTMKILIGVIITWIGMNSRSTSLSVSLVLVGIVTLYLGVMVQA

1uzgA

0.77

0.61

0.79

5.81

Download

GNRDFVEGLSGATWVDVVLEHGGCVTTMAKNKPTLDIELQKTEATQLATLRKLCIEGKITNITTDSRCPTQGEAILPEEQDQNYVCKHTYVDRGWGNGCGLFGKGSLVTCAKFQCLESIEGKIVQHENLKYTVIITVHTGDQHQVGNET--QGVTAEITSQASTAEAILPEYGTLGLECSPRTGLDFNEMILLTMKDKAWMVHRQWFFDLPLPWTSGATTKTPTWNRKELLVTFKNAHAKKQEVVVLGSQEGAMHTALTGATEIQTSGGTSIFAGHLKCRLKMDKLKLKGMSYAMCLNTFVLKKEVSETQHGTILIKVEYKGEDAPCKIPFSTEDGQGKAHNGRLITANPVVTKKEEPVNIEAEPPFGESNIVIGIGDKALKINWYRK-----------------------------------------------------------------------------------------------------

1uzgA

0.77

0.61

0.79

5.68

Download

GNRDFVEGLSGATWVDVVLEHGGCVTTMAKNKPTLDIELQKTEATQLATLRKLCIEGKITNITTDSRCPTQGEAILPEEQDQNYVCKHTYVDRGWGNGCGLFGKGSLVTCAKFQCLESIEGKIVQHENLKYTVIITVHTGDQHQVGNET--QGVTAEITSQASTAEAILPEYGTLGLECSPRTGLDFNEMILLTMKDKAWMVHRQWFFDLPLPWTSGATTKTPTWNRKELLVTFKNAHAKKQEVVVLGSQEGAMHTALTGATEIQTSGGTSIFAGHLKCRLKMDKLKLKGMSYAMCLNTFVLKKEVSETQHGTILIKVEYKGEDAPCKIPFSTEDGQGKAHNGRLITANPVVTKKEEPVNIEAEPPFGESNIVIGIGDKALKINWYRK-----------------------------------------------------------------------------------------------------

1okeA

0.68

0.54

0.79

12.40

Download

SNRDFVEGVSGGSWVDIVLEHGSCVTTMAKNKPTLDFELIKTEAKQPATLRKYCIEAKLTNTTTESRCPTQGEPTLNEEQDKRFVCKHSMVDRGWGNGCGLFGKGGIVTCAMFTCKKNMEGKIVQPENLEYTVVITPHSGEEHAVGNDTGKHGKEVKITPQSSITEAELTGYGTVTMECSPRTGLDFNEMVLLQMKDKAWLVHRQWFLDLPLPWLPGADTQGSNWIQKETLVTFKNPHAKKQDVVVLGSQEGAMHTALTGATEIQMSSGNLLFTGHLKCRLRMDKLQLKGMSYSMCTGKFKVVKEIAETQHGTIVIRVQYEGDGSPCKIPFEIMDLEKRHVLGRLITVNPIVTEKDSPVNIEAEPPFGDSYIIIGVEPGQLKLNWFKK-----------------------------------------------------------------------------------------------------

1oamA

0.68

0.54

0.79

6.49

Download

SNRDFVEGVSGGSWVDIVLEHGSCVTTMAKNKPTLDFELIKTEAKQPATLRKYCIEAKLTNTTTESRCPTQGEPTLNEEQDKRFVCKHSMVDRGWGNGCGLFGKGGIVTCAMFTCKKNMEGKIVQPENLEYTVVITPHSGEEHAVGNDTGKHGKEVKITPQSSITEAELTGYGTVTMECSPRTGLDFNEMVLLQMKDKAWLVHRQWFLDLPLPWLPGADTQGSNWIQKETLVTFKNPHAKKQDVVVLGSQEGAMHTALTGATEIQMSSGNLLFTGHLKCRLRMDKLQLKGMSYSMCTGKFKVVKEIAETQHGTIVIRVQYEGDGSPCKIPFEIMDLEKRHVLGRLITVNPIVTEKDSPVNIEAEPPFGDSYIIIGVEPGQLKLNWFKK-----------------------------------------------------------------------------------------------------

1oamA

0.68

0.54

0.79

2.58

Download

SNRDFVEGVSGGSWVDIVLEHGSCVTTMAKNKPTLDFELIKTEAKQPATLRKYCIEAKLTNTTTESRCPTQGEPTLNEEQDKRFVCKHSMVDRGWGNGCGLFGKGGIVTCAMFTCKKNMEGKIVQPENLEYTVVITPHSGEEHAVGNDTGKHGKEVKITPQSSITEAELTGYGTVTMECSPRTGLDFNEMVLLQMKDKAWLVHRQWFLDLPLPWLPGADTQGSNWIQKETLVTFKNPHAKKQDVVVLGSQEGAMHTALTGATEIQMSSGNLLFTGHLKCRLRMDKLQLKGMSYSMCTGKFKVVKEIAETQHGTIVIRVQYEGDGSPCKIPFEIMDLEKRHVLGRLITVNPIVTEKDSPVNIEAEPPFGDSYIIIGVEPGQLKLNWFKK-----------------------------------------------------------------------------------------------------

(a)	All the residues are colored in black; however, those residues in template which are identical to the residue in the query sequence are highlighted in color. Coloring scheme is based on the property of amino acids, where polar are brightly coloured while non-polar residues are colored in dark shade. (more about the colors used)
(b)	Rank of templates represents the top ten threading templates used by I-TASSER.
(c)	Ident1 is the percentage sequence identity of the templates in the threading aligned region with the query sequence.
(d)	Ident2 is the percentage sequence identity of the whole template chains with query sequence.
(e)	Cov. represents the coverage of the threading alignment and is equal to the number of aligned residues divided by the length of query protein.
(f)	Norm. Z-score is the normalized Z-score of the threading alignments. Alignment with a Normalized Z-score >1 mean a good alignment and vice versa.
(g)	Download Align. provides the 3D structure of the aligned regions of the threading templates.
(h)	The top 10 alignments reported above (in order of their ranking) are from the following threading programs:
	1: MUSTER 2: HHSEARCH 3: HHSEARCH I 4: SP3 5: HHSEARCH II 6: PROSPECT2 7: PPA-I 8: FUGUE 9: SPARKS 10: MUSTER

10 proteins in PDB which are structurally closest to the first I-TASSER model (identified by TM-align)

Rank	TM-score	RMSD^a	IDEN^a	Cov.	PDB Hit
1	0.7714	1.43	0.68	0.79	1oamA Model1

2	0.7537	1.76	0.78	0.79	1uzgA Model1

3	0.7481	1.50	0.39	0.77	1svbA Model1

4	0.6845	3.15	0.49	0.78	2hg0A Model1

5	0.4756	5.44	0.05	0.65	1i9wA Model1

6	0.4733	5.53	0.05	0.65	1ld4M Model1

7	0.3447	7.37	0.06	0.57	2b5lA Model1

8	0.3185	7.42	0.06	0.52	1t3tA Model1

9	0.3144	6.82	0.04	0.48	3cihA Model1

10	0.3105	7.46	0.06	0.51	2okxA Model1

Structural alignment using TM-align
MRCIGISNRDFVEGVSGGSWVDIVLEHGSCVTTMAKNKPTLDFELIKTEAKQPATLRKYCIEAKLTNTTTESRCPTQGEPTLNEEQDKRFVCKHSMVDRGWGNGCGLFGKGGIVTCAMFTCKKNMEGKIVQPENLEYTVVITPHSGEEHAVGNDTGKHGKEVKITPQSSITEAELTGYGTVTMECSPRTGLDFNEMVLLQMKDKAWLVHRQWFLDLPLPWLPGADTQGSNWIQKETLVTFKNPHAKKQDVVVLGSQEGAMHTALTGATEIQMSSGNLLFTGHLKCRLRMDKLQLKGMSYSMCTGKFKVVKEIAETQHGTIVIRVQYEGDGSPCKIPFEIMDLEKRHVLGRLITVNPIVTEKDSPVNIEAEPPFGDSYIIIGVEPGQLKLNWFKK----------------------------------------------------------------------------------------------------- ------GNRDFVEGLSGATWVDVVLEHGSCVTTMAKNKPTLDIELLKTEVTNPAVLRKLCIEAKISNTTTDSRCPTQGEATLVEEQDANFVCRRTFVDRGWGNGCGLFGKGSLLTCAKFKCVTKLEGKIVQYENLKYSVIVTVHTGDQHQVGNETTEHGTIATITPQAPTSEIQLTDYGALTLDCSPRTGLDFNEMVLLTMKEKSWLVHKQWFLDLPLPWTSGASTSQETWNRQDLLVTFKTAHAKKQEVVVLGSQEGAMHTALTGATEIQTSGTTTIFAGHLKCRLKMDKLTLKGTSYVMCTGSFKLEKEVAETQHGTVLVQVKYEGTDAPCKIPFSTQDEKGVTQNGRLITANPIVTDKEKPVNIETEPPFGESYIVVGAGEKALKLSWFKKGSSIGKMFEAIARGARRMAILGDTAWDFGSIGGVFTSVGKLVHQVFGTAYGVLFSGVSWTMKIGIGILLTWLGLNSRSTSLSMTCIAVGMVTLYLGVMVQA

MRCVGVGNRDFVEGLSGATWVDVVLEHGGCVTTMAKNKPTLDIELQKTEATQLATLRKLCIEGKITNITTDSRCPTQGEAILPEEQDQNYVCKHTYVDRGWGNGCGLFGKGSLVTCAKFQCLESIEGKIVQHENLKYTVIITVHTGDQHQVGNETQ--GVTAEITSQASTAEAILPEYGTLGLECSPRTGLDFNEMILLTMKDKAWMVHRQWFFDLPLPWTSGATTKTPTWNRKELLVTFKNAHAKKQEVVVLGSQEGAMHTALTGATEIQTSGGTSIFAGHLKCRLKMDKLKLKGMSYAMCLNTFVLKKEVSETQHGTILIKVEYKGEDAPCKIPFSTEDGQGKAHNGRLITANPVVTKKEEPVNIEAEPPFGESNIVIGIGDKALKINWYRK----------------------------------------------------------------------------------------------------- ------GNRDFVEGLSGATWVDVVLEHGSCVTTMAKNKPTLDIELLKTEVTNPAVLRKLCIEAKISNTTTDSRCPTQGEATLVEEQDANFVCRRTFVDRGWGNGCGLFGKGSLLTCAKFKCVTKLEGKIVQYENLKYSVIVTVHTGDQHQVGNETTEHGTIATITPQAPTSEIQLTDYGALTLDCSPRTGLDFNEMVLLTMKEKSWLVHKQWFLDLPLPWTSGASTSQETWNRQDLLVTFKTAHAKKQEVVVLGSQEGAMHTALTGATEIQTSGTTTIFAGHLKCRLKMDKLTLKGTSYVMCTGSFKLEKEVAETQHGTVLVQVKYEGTDAPCKIPFSTQDEKGVTQNGRLITANPIVTDKEKPVNIETEPPFGESYIVVGAGEKALKLSWFKKGSSIGKMFEAIARGARRMAILGDTAWDFGSIGGVFTSVGKLVHQVFGTAYGVLFSGVSWTMKIGIGILLTWLGLNSRSTSLSMTCIAVGMVTLYLGVMVQA

SRCTHLENRDFVTGTQGTTRVTLVLELGGCVTITAEGKPSMDVWLDAIYQENPAKTREYCLHAKLSDTKVAARCPTMGPATLAEEHQGGTVCKRDQSDRGWGNHCGLFGKGSIVACVKAACEAKKKATGHVYDANKIVYTVKVEPHTGD-YVAANETHSGRKTASFTISSEKTILTMGEYGDVSLLCRVASGVDLAQTVILELDKTVEHLPTAWQVHRDWFNDLALPWKHE--G-AQNWNNAERLVEFGAPHAVKMDVYNLGDQTGVLLKALAGVPVAHIEGTKYHLKSGHVTCEVGLEKLKMKGLTYTMCDKTKFTWKRAPTDSGHDTVVMEVTFSGT-KPCRIPVRAVAHGSPDVNVAMLITPNPTIEN-NGGGFIEMQLPPGDNIIYVG----ELSHQWFQK----------------------------------------------------------------------------------------------------- ------GNRDFVEGLSGATWVDVVLEHGSCVTTMAKNKPTLDIELLKTEVTNPAVLRKLCIEAKISNTTTDSRCPTQGEATLVEEQDANFVCRRTFVDRGWGNGCGLFGKGSLLTCAKFKCV--TKLEGKIVQYENLKYSVIVTVHTGDQHQVGNETTEHGTIATITPQAPTSEIQLTDYGALTLDCSPRTGLDFNEMVLLTMKE------KSWLVHKQWFLDLPLPWTSGASTSQETWNRQDLLVTFKTAHAKKQEVVVLGSQEGAMHTALTGATEIQTSG-TTTIFAGHLKCRLKMDKLTLKGTSYVMCTGS-FKLEKEVAETQHGTVLVQVKYEGTDAPCKIPFSTQDEKG-VTQNGRLITANPIVTDKEKPVNIETEPPFGESYIVVGAGEKALKLSWFKKGSSIGKMFEAIARGARRMAILGDTAWDFGSIGGVFTSVGKLVHQVFGTAYGVLFSGVSWTMKIGIGILLTWLGLNSRSTSLSMTCIAVGMVTLYLGVMVQA

FNCLGMSNRDFLEGVSGATWVDLVLEGDSCVTIMSKDKPTIDVKMMNMEAANLAEVRSYCYLATVSDLSTKAACPTMGEAHNDKRADPAFVCRQGVVDRGWGNGCGLFGKGSIDTCAKFACSTKAIGRTILKENIKYEVAIFVHGPTTVESHGNYSTQVGATQAGRFSITPAAPSYTLKLGEYGEVTVDCEPRSGIDTNAYYVMTVGTKTFLVHREWFMDLNLPWSSA----GSTVWRNRE-TLMEFEEPHATKQSVIALGSQEGALHQALAGAIPVEFSSNTVKLTSGHLKCRVKMEKLQLKGTTYGVCSKAFKFLGTPADTGHGTVVLELQYTGTDGPCKVPISSVASLNDLTPVGRLVTVNPFVSVATANAKVLIELEPPFGDSYIVVGRGEQQINHHWHK-----S------------------------------------------------------------------------------------------------ ------GNRDFVEGLSGATWVDVVLEHGSCVTTMAKNKPTLDIELLKTEVTNPAVLRKLCIEAKISNTTTDSRCPTQGEATLVEEQDANFVCRRTFVDRGWGNGCGLFGKGSLLTCAKFKCVTKLEGKIVQYENLKYSVIVTVHTGDQ-HQVGNET-TE---HGTIATITPQAPTSEIQLTDYGALTLDCSPRTGLDFNEMVLLTMKEKSWLVHKQWFLDLPLPWTSGASTSQETWNRQDLLVTFKTAHAK--KQEVVVLGSQEGAMHTALTGATEIQTSGTTTIFA-GHLKCRLKMDKLTLKGTSYVMCTGSFKLEKEVAETQHGTVLVQVKYEGTDAPCKIPFSTQDEKGV-TQNGRLITANPIVTDKE--KPVNIETEPPFGESYIVVGAGEKALKLSWFKKGSSIGKMFEAIARGARRMAILGDTAWDFGSIGGVFTSVGKLVHQVFGTAYGVLFSGVSWTMKIGIGILLTWLGLNSRSTSLSMTCIAVGMVTLYLGVMVQA

Y-----------EHSTVMPN-VVGFPYKAHIERPGYSPLTLQMQVVETSLEPT-LNL-EYITCEYKT-VVPSPYVKCCGASECS--TKEKPDYQCKVYTGVYPFMWGGAYCFCDSENTQLSEAYVDRSDVCRHDHASAYKAHT-ASLKAKVRVMYG-N---------VNQTVDVYVN-GDHAVTIG---GTQFIFGPLSSAWTPFDNKIVVYKDEVFNQD--FPPYGSGQPGRFGDIQSRT--VESNDLYA-NT-ALKLARPSPGMVHVPYTQTPSGFKYWLKEKGTALNTKAPFGCQIKTNPVRAMNCAVGNIPVSMNLPDSAFTRIVEAPTIIDLTCTVAT-CTH---------S-VLTLTYKTNKNGDCSVHS--------HSNVATLQEATAKVTL-HFSTAS-A---SPSFVVS-LCSARAT---CSASC--------------------------------------------------------------------------------------------------------- -GNRDFVEGLSGATWVDVVLEHGSCVTTMA-K-----NKPTLDIE-LLKTEVTNPAVLRKLCIEAKISNTTTDSRCPTQGEATLVEEQDANFVCRRTFV-DRG--WGN-GC-GLFGKGSLLTCAKFKC--V--TKLEGKIVQYENLKYSVIVTVHTGDQHQVGNETTEHGTIATITPQAPTSEIQLTDYGALTLDCSPRTGLDFNEMVLLTMKEKSWLVHKQWFL--DLP----L-PWTSGASTSQETWNRQDLLVTFKTAHA-K--K-QEVV-VL-GSQEGAMHTALTGATE----IQTSGTTTIF-AGHLKCRLKMDK---LTLKGT--SYV-MCTGSFKLEKEVAETQHGTVLVQVKYEGTD---APCKIPFSTQDEKGVTQNGRLITANPIVTDKEKPVNIETEPPFGESYIVV-GA------GEKALKLSWFKKGSSIGKMFEAIARGARRMAILGDTAWDFGSIGGVFTSVGKLVHQVFGTAYGVLFSGVSWTMKIGIGILLTWLGLNSRSTSLSMTCIAVGMVTLYLGVMVQA

Y-----------EHATTVPNV-PQIPYKALVERAGYAPLNLEITVMSSEVLPS-TNQE-YITCKFTTV-VPSPKIKCCGSLECQ--PAAHADYTCKVFGGVYPFMWGGAQCFCDSENSQMSEAYVELSADCASDHAQAIKVHT-AAMKVGLRIVYG-N---------TTSFLDVYVN-GVTPGTSK---DLKVIAGPISASFTPFDHKVVIHRGLVYNYDFPEYGAMKPGAFGDIQATS--LTSKDLIA-ST-DIRLLKPSAKNVHVPYTQASSGFEMWKNNSGRPLQETAPFGCKIAVNPLRAVDCSYGNIPISIDIPNAAFIRTSDAPLVSTVKCEVSE--CTYS---------MATLQYVSDREGQCPVHS--------HSSTATLQESTVHVT-VHFSTAS-P---QANFIVS-LCGKKTT---CNAEC--------------------------------------------------------------------------------------------------------- -GNRDFVEGLSGATWVDVVLEHGSCVTTMAK------NKPTLDIE-LLKTEVTNPAVLRKLCIEAKISNTTTDSRCPTQGEATLVEEQDANFVCRRTF-VDRGW--GN-GC-GLFGKGSLLTCAKFKC--V--TKLEGKIVQYENLKYSVIVTVHTGDQHQVGNETTEHGTIATITPQAPTSEIQLTDYGALTLDCSPRTGLDFNEMVLLTMKEKSWLVHKQWF-LD----LPLPWTSGASTSQETWNRQDLLVTFKTAHA----KKQEVVVLGSQEGAMHTALTGAT--E----IQTSGTTTIF-AGHLKCRLKMDKL--TLKGT---SYV-MCTGSFKLEKEVAETQHGTVLVQVKYEGTD---APCKIPFSTQDEKGVTQNGRLITANPIVTDKEKPVNIETEPPFGESYIVV-GA------GEKALKLSWFKKGSSIGKMFEAIARGARRMAILGDTAWDFGSIGGVFTSVGKLVHQVFGTAYGVLFSGVSWTMKIGIGILLTWLGLNSRSTSLSMTCIAVGMVTLYLGVMVQA

MSYNYV-VTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNGVVFVGSRLGDSQLVKLNVDSNEQGSYVVAMETFTNLGPIVDMCVVDLERQGQGQLVTCSGAFKEGSLRIIRNGIGIHEHASIDLPGIKGLWPLRSDPNRETYDTLVLSFVGQTRVLMLNGEEVEETELMGFVDDQQTFFCGNVAHQQLIQITSASVRLVSQEPKALVSEWKEPQAKNISVASCNSSQVVVAVGRALYY------------LQIHPQELRQI-----------------------SHTEMEHE-VACLDI--------------------------------------------------------------------------------------TPLGDSN------------GLSPLCAIGLWTDISARILKLPS--------FELLHKEMLGGEIIPRSILMTTFESSHYLLCALGDGALFYFGLNIETGLLSDRKKVTLGTQPTVLRTFRSLSTTNVFACSDRPTVIYSSNHKLVFSNVNLKEVNYMCPLNSDGYPDSLALANNSTLTIGTIDEIQKLHIRTVPLYESPRKICYQEVSQCFGVLSSRIEVQDTSGGTTALRPSASTQALSSSVSSSKLFSSTSFGEEVEVHNLLIIDQHTFEVLHAHQFLQNEYAL--SL-VSCKLGKDPNTYF-------IVGTAMVYPEEAEPKQGRIVVFQYSDGKLQTVAEKEVK---GAVYSMVEFNGKLLASINSTVRLYEWTTEKDVRTECNHYNNIMALYLKTKGDFI----------------LVGDLMRSVLLLAYKPMEG----------NFEEIARDFNPNWMSAVEILDDDNFLGAENAFNLFVCQKDSAATTDEERQHLQEVGLFHLGEFVNVFCHGSLVMQNLGSTPTQGSVLFGTVNGMIGLVTSLSESWYNL-LLDMQNRLNKVIK------SVGKIEHSFWRSFHTERKTEPATGFIDGDLIESFLDISRPKMQEVVANLQ---------YDDGSGMKRE------------AT-ADDLIKVVEELTRIH- ------GNRDF-VEGLS-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------G--------------ATW-------------------------VDV-V--L-E-------HGSCVTTMAKN-KPTLDIELLKTEVTNP-----------AVL-----------------------------------------------RK--------------------------------------LCI----EAKIS--NTT-TDSRCPTQGEATLVEEQDANFVCRRTFVDRGWGNGCGLFGKGSLLTCAKF----KCVTKLEGKIVQYENLKYSVIVTVHTGDQHQVGNETTEHGTIATITPQAPTSEIQLTDYGALTLDCSPRTGLDFNEMVLLTMKEKSWLVHKQWFLDLPLPWTSGASTSQETWNRQDLL-------------VTFKTAHAKKQEVVVLGSQ----------EG---------AM---------HTA----------LT-------------------------------------GATEIQT--SGTT--------------------------TIFAGHLKCRLKMDKLT----------------LKG-----------------------------------------TS-------------------YVMCT--GSF-KL-EKEV-------AETQHGTVLV---------------QVK---------Y-EGTD--APCKIPF------------STQD-----------------EKGVTQNGRLI------TANPIVTDKEKPVNIETEPP----FGESY------IVVGAGEKALKLSWF-K-----------K---G---------------SS--------IGKMFEAIAR------------------------GA-R----------RMAIL---G---DTA-----------WDFGSIGGVFTSV--------------------GKLVHQVFGTAYGVL--------FSGVSWTMKIGIGILLTWLGLNSRSTSLSMTCIAVGMVTLYLGVMVQ--A

HQP--------------------------------------------------------APVSSVDLLGEGRQALIDANLRLGLALAEDEIDYLQEAFTKLGRNP------------------------------------------------NDIELYMFAQANSEHCRHKIFNADWIIDGKPQPKSLFKMIKNTFE------------------------------------TTPDYVLSAYKDNAAVM-----------------EGSAVGRYFADHNTGRYDFHQEPAH-ILMKVETHNHPTAISPWPGAATGSGGEIRDEGATGRGAKPKAGLVGFSVSNLRIPGFEQPWEEDFGKPERIVTALDIMTEGPLGGAAFNNEFGRPALTGYFRTYEEKVNSHNGEELRGYHKPIMLAGGIGNIRADHVQKGEIVVGAKLIVLGGPAMNIGFASVQRDNPEMERRCQEVIDRCWQLGDANPILFIHDVGAGGLSNAMPELVSDGGRGGKFELRDILSD-EPG-----MSPLEIWCNESQERYVLAVAADQLPLFDELCKRER-APYAVIGDATEEQHLSLHDNHFDNQPIDLPLDVLLGKTPKMTRDVQTLKAKGDALNRADITIADAVKRVLHLPTVAEKTFLVTI--GDRTVTGMVARDQMVGPWQVPVADCAVTTASLDSYYGEA-MSIGERAPVALLDFAASARLAVGEALTNIAATQIGDIKRIKLSANWMAAAGHPGEDAGLYDAVKAVGEELCPQLGLTIPVGKDSMSMKTRWQEGNEQREMTSPLSLVISAFARVEDVRHTLTPQLSTEDNALLLIDLGKGHNALGATALAQVYRQLGDKPADVRDVAQLKGFYDAMQALVAARKLLAWHDRSDGG--------------LLVTLAEMAFAGHCGVQVDIAALGDDHLAALFNEELGGVIQ--------------------VRAEDRDAVEALLAQYGLADCVHYLGQALAGDRFVITAN---DQTVFSESRTTLRVWWAETTWQMQRLRDNPQCADQEHEAKA-NDTDPGLN--VKLSFD--------------INEDI-AAPYIATGARPKVAVLREQGVNSH-VEMAAAFHRAGFDAIDVHMSDLLGGRIGLGNFHALVACGGFSYGDVLGAGEGWAKSILFNHRVRDEFETFFHRPQTLALGVNGCQMMSNLRELIPGSELWPRFVRNHSDRFEARFSLVEVTQSPSLLLQGMVGSQMPIAVSHGEGRVEVRDDAHLAALESKGLVALRYVDNFGKVTETYPANPNGSPNGITAVTTENGRVTI-M--MPHPERVFRTVANSWHPENWGEDSPWMRIFRNARKQLG------ ---GNRDFVEGLSGATWVDVVLEHGSCVTTMAKNKPTLDIELLKTEVTNPAVLRKLCIEAKISNT----------------------------------------TTDSRCPTQGEATLVEEQDANFVCRRTFVDRGWGNGCGLFGKGSLLTCAKFK-CV--TK----------------------------------LEGKIVQYENLKYSVIVTVHTGDQHQVGNETTEHGTIATITPQ----------APTSEIQLTDYGALTLDCSPRTGLD--------------FN-EMVLLTMKE-----------------KSW--LVH---KQ-----------------------------------------------------W--------------------------------------------------------FLDL-PL---------------------------------------------P---WTSGAST-SQETWNRQDLLVT-FKTAHAKKQEVVVLG-SQEGAMH---------------------TA-----------------------------------------------------------------------------------LTGA--T----------------------------------EI-----------------------------------------QTSG---------------------------------TTT-------------------------IFAGHLKCR------------------------------------------------------------LKMDKLTL-----------KGTSYVMCTGSFKLEKEVAET--QHG--TVLVQVKYEG-----------------TDAPCKIPFSTQDEKGVTQNGRLITAN-PIV--T---DKEKPVNIETEPPFGESYIVVGAGEKALKLSWFKKG--S-----------------------SIG-KMFEAIARGARR-----MAILGDTAWDFGSIGGVF-TSV----------------------GKLVHQVFG-----T---------------------AYGVLFSGVSWTMKIG------------------------------I--GILLTWL-----G-LN---------------------------------------------------------S--R---------------------------------STSLSMTCIAVGMVTLYL--------------------------------GVMVQA

QTWIWYPG----------------DYEIWLGNQNNRRTERGAFFPPFWK--TDSHYVVVEF-S--KVLNLSEPEEVFIAAEGTYNVKLDGKLQFGPETLLL-------------------------------------------------------PAGKHSL-N-I---KVWNQAT---------------------PPTIYVKGK------------------------------------TVNSDSSWRVTYEDKE-----------WIDESGKASDTSATI--------------------------------------YDAGCWNFDGATQ-RPSQFSLREPQQPVAKTEQP----------------------EGGILY--DFGK--ETFGFITLKNLSG-KGKIDLYYGESPEEAKDKAYCET-LDKLLLEPGQITDLAIRSTSPLHHSDNEYTLENSKAF----RYVYITHEPEVQIGEVSQYEYLPEEYRGNFRCND----EELNCIWEVGAYTHLTTREFFIDGIKRDRWVWSGDAIQSYLNYYLFFDSESVKRTIWLLRGKDPVTSHSNTIDYTFYWFLSVYDYYYSGDRHFVNQLYPRQTDYVLGRTNKNGVEGSGDWVFVDWADGYLDKKGELSFEQVLFCRSLETALCADLVGDKDG-------QQKY---EKLA---SALKAK-----LEPTFWNNQKQAFVHNCVDGRQSDAVTRYAN-FSV-FFDYLNADKQQAIKQSVLLNDEILKITTPYRFYELEALCALGEQETVKEKAYWGGLKAGATSFWEKYNPEESGTQHLAYGRPYGKSLCHAWGASPIYLLGKYYLGVK---PTKEGYKEFAVSPVLGGLKWEGTVPTPNGDIHVYDNKTIKVKATEGKGYLTIQSRRQPKANGTVEKVSEGVWRLWIDSPEERIVTYRL --------GNRDFVEGLSGATWVDVVLEHGS-CV-TTMAKNKPTL----DIELLKTEVTNPAVLRKLCIEAK-----------------------------ISNTTTDSRCPTQGEATLVEEQDANFVCRRTFVDRGWGNGCGLFGKGSLLTCAKFKCVTKLEGKIVQYENLKYSVIVTVHTGDQHQVGNETTEHGTIAT-------ITPQAPTSEIQLTDYGALTLDCSPRTGLDFNEMVLLTMKEKSWLVHK-----QWFLDLPLPWTSGA-STSQ-------ETWNRQDLLVTFKTAHAKKQEVVVLGSQEGAMHTALTGATEIQ--TSGTT-TIFA-----------------GHLKCRLKMDKLTLKGTSYVMCTGSFKLEKEVAETQHGTVLVQVKYEGTDAPCKIPFSTQDEKGVTQ--NGRLITANPIVTDKE-----------K-----PVNI--ETEPPFGESYIVVGAGE--KALKLS-----------------WFKKGSS-IGKMFEAIA--R----GAR----------RMAIL-G-----------D--TAW-DFG---SIGGVFTSV-G----------------------------KLVHQ----------------------------------V--FGTAY-GVLFSG----VSWTMKIG---IGIL---LTWL-----GLNSRSTSL---------------------------SMT-CIAVG-------------------------------------------------------------------------------------------------------MVTLYLGVM-------------------VQA------------------------------------------------------------

GRNWNASWIWGGQEESPRNEWRCFRGSFDAPASVEGPAMLHITADSRYVLFVNGEQVGRGPVRSWPKEQFYDSYDIGGQLRPGVRNTIAVLVLHFGVSNFYYLRGRGGLIAEIEADGRTLAATDAAWRTERLGGQRSNSP---------------RMACQQGFGEVIDARELAEDWALPAFDDGGWAQARSIGPAGTAPWTSLVPRDIPFLTEEKLYPASI-QSLSRVKAPKYAAALDLRNQMVPESVNHANP--------------------------------------------------------------------------VSYC--GYVATILTLETSGVVTLG---------------------FPTGVRGSGVWVDGVLQTEWT---------GVQPERYYSLNLAAGEHLVLVDITSSDHGGSSHFAIDSEAAFTLRSPAGDNGVPLATIGT---FDQS------EYIDHRPGRRMQTD--------HPDYRALPEAAPTAAALEAFASWVK------------------------------------------------PFEPSLYTEENV-----FGSNVWRTLAERRAVPRSVLNAILPVPEPGVLPVFEDGDCELVID-----LGAERSGFIGFELEAPAGTIIDAYGVEYMREGYTQHTYGLDNTFRYICREGRQSYVSPVRRGF----------------------RYLFLT-VRGNSA-PVKLHEIYIRQ------------------STYPVAEQGSFRCSDALLNATWEISRHTTRLCMEDTFVDCPSYEQVFWVGDSRNEALVNYYVFGETEIVERCLNLVPG--------------------------SADETPLYLDQVPSAWSSVIPNWTFFWILACREYAAHTGNEAFAARIWPAVKHTLTHYLEHIDDSGLLNMAGWNLLDWAPIDQPNEGIVTHQNLFLVKALRDSRALAAAAGATEEADAFAARADLLAETINAVLWDEEKRAYIDCIHADGRRSDVYSMQTQVVAYLCGVAQGEREAVIEGYLSSPPPAFVQIGSPFMSF--FYYEALEKAGRQTLMLDDIRRNYGQMLRYDATTCWEMYPNFAENRSNPDMLTRSHCHAWSAAPGYFLGSSILGVKRGADGWRTVDIAPQPCDLTWAEGVVPLPQGGHIAVSWEFVSAGKLKLRIEAPEDIEVNVTLPEGIEGEVTQVKYMS---------- ----------------------------------------------G-----------------------------------------------N---------------------------------------------RDFVEGLSGATWVDVVLEH--GSCVT-------------------------------------------------------TMAKNKPTLD--IELLKTEVTNP---------AVLRKLCIEAKISNTTTDSRCPTQGEATLVEEQDANFVCRRTFVDRGWGNGCGLFGKGSLLTCAKFKCVTKLEGKIVQYENLKYS-------------VIVTVHTGDQHQVGNETTEHGTIATITPQAPTS---------EIQLTDYGALT--LDC--------------SPRTGLD--------------------------------FNEMVLLTMKEKSWLVH-KQWFL----DLPLPWTSGA-----------------------STSQETWNRQDLLVTFKTAHAKKQEVVVLGSQEGAMHTALTGATEIQTSGTTTI------FAGHLKCRLKMDKLTLKGTSYVMCTG-----SFKL---------------EKEVAE---TQHGTVLVQVKY-----------------------------------------------EGTDAPCKIPFSTQDEKGVTQNGRLITANPIVTDKEKPVNIETEPPFGESYIVVGAGEKALKLSWFKKGSSIGKM------------FEAIARGARR-----MAI---LGDTAWDF---------------------------GSIGGVFTSVGKLVHQVFGTAYGVLFSGVSWTMK-----------------------------------------I--GIGI-L-------------------------------------L--TWLG-LN--------------S---R--S----------------------------------TSLSMTCI--------------------------AV--GMV------------------------------------------------------------------------------------------------------------------------------------------------------TLYLGVMVQA

(a)	Residue pairs that are structurally aligned by TM-align program are highlighted in color. Coloring scheme is based on the property of amino acids, where polar are brightly coloured while non-polar residues are colored in dark shade.(more about the colors used)
(b)	Ranking of proteins is based on TM-score of the structural alignment between Model1 and the PDB structures in our template 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 model.

Function Prediction

Predicted EC Numbers

Rank	TM-score	RMSD^a	IDEN^a	Cov.	EC-Score	PDB Hit	EC No.
1	0.9624	1.38	0.69	0.99	3.2685	1p58A	2.7.7.48

2	0.7537	1.76	0.78	0.79	2.7553	1uzgA	2.1.1.56	2.7.7.48	3.4.21.91

3	0.7772	1.17	0.68	0.79	2.6181	1oanA	2.1.1.56

4	0.7501	1.80	0.68	0.79	2.5068	1tg8A	3.4.21.91

5	0.7198	2.37	0.65	0.78	2.3584	1thdA	2.7.7.48

(a)	Ranking is based on EC-score, which is a confidence score for the Enzyme Classification (EC) Number prediction.
(b)	RMSD^a is the RMSD between models and the PDB structure in the structurally aligned regions by TM-align.
(c)	IDEN^a is percentage sequence identity in the structurally aligned region.
(d)	Cov. represents the coverage of the alignment and is equal to the number of structurally aligned residues divided by length of model.
(e)	EC-Score is defined based on the C-score of the structure prediction and similarity of the model with known enzyme structures, as identified using both global and local structural alignment programs. The global similarity score uses TM-score, IDEN^a,RMSD^a and Cov. of the structural alignment by TM-align, while the local match compares the structural and chemical similarity of local spatial motifs in the model with known catalytic site of enzymes. A prediction with a EC-score >1.1 signifies a prediction with high confidence (upto 3 digit numbers of EC) and vice versa (For details, see Ambrish, Kucukural and Zhang,Large scale benchmarking of protein function prediction using predicted protein structures, 2009, submitted).

Predicted GO terms

Rank	TMscore	RMSD^a	IDEN^a	Cov.	PDB Hit	Fh-Score	Associated GO Terms
1	0.7192	2.53	0.68	0.79	1tgeC	2.43	GO:0003724 GO:0003725 GO:0005198 GO:0005524 GO:0008026 GO:0030554 GO:0042623 GO:0000003 GO:0019079 GO:0022414 GO:0005623 GO:0016020 GO:0016021 GO:0019012 GO:0019013 GO:0019028 GO:0019031
2	0.7180	2.43	0.66	0.78	2b6bC	2.39	GO:0005198 GO:0000003 GO:0019058 GO:0022414 GO:0005623 GO:0016020 GO:0016021 GO:0019012 GO:0019028 GO:0019031
3	0.7183	2.57	0.65	0.79	3c6dC	2.37	GO:0003724 GO:0003725 GO:0003968 GO:0004175 GO:0004252 GO:0004482 GO:0005198 GO:0005524 GO:0008026 GO:0008170 GO:0008173 GO:0030554 GO:0042623 GO:0046872 GO:0000003 GO:0006139 GO:0009058 GO:0009889 GO:0009987 GO:0019058 GO:0022414 GO:0043283 GO:0044249 GO:0044260 GO:0050794 GO:0060255 GO:0065007 GO:0005576 GO:0005622 GO:0005623 GO:0005634 GO:0005737 GO:0005783 GO:0005789 GO:0012505 GO:0016020 GO:0016021 GO:0019012 GO:0019028 GO:0019031 GO:0030529 GO:0042175 GO:0043229 GO:0044432 GO:0044444
4	0.6845	3.15	0.49	0.78	2hg0A	1.91	GO:0005198 GO:0005623 GO:0016020 GO:0016021 GO:0019012 GO:0019031
5	0.5770	4.82	0.57	0.73	2r6pC	1.87	GO:0005198 GO:0005623 GO:0016020 GO:0016021 GO:0019012 GO:0019031
6	0.7481	1.50	0.39	0.77	1k4rC	1.83	GO:0003724 GO:0003725 GO:0003968 GO:0004175 GO:0004252 GO:0005198 GO:0005524 GO:0008026 GO:0030554 GO:0042623 GO:0000003 GO:0006410 GO:0009058 GO:0009987 GO:0010467 GO:0016070 GO:0019079 GO:0022414 GO:0034960 GO:0034961 GO:0043283 GO:0043284 GO:0044249 GO:0005623 GO:0016020 GO:0016021 GO:0019012 GO:0019013 GO:0019028 GO:0019031
7	0.4936	2.93	0.34	0.55	1urzE	1.13	GO:0005198 GO:0000003 GO:0019058 GO:0022414 GO:0005623 GO:0016020 GO:0016021 GO:0019012 GO:0019028 GO:0019031
8	0.5410	4.20	0.28	0.64	1urzE	1.12	GO:0005198 GO:0000003 GO:0019058 GO:0022414 GO:0005623 GO:0016020 GO:0016021 GO:0019012 GO:0019028 GO:0019031
9	0.4571	1.52	0.35	0.47	1k4rC	1.07	GO:0003724 GO:0003725 GO:0003968 GO:0004175 GO:0004252 GO:0005198 GO:0005524 GO:0008026 GO:0030554 GO:0042623 GO:0000003 GO:0006410 GO:0009058 GO:0009987 GO:0010467 GO:0016070 GO:0019079 GO:0022414 GO:0034960 GO:0034961 GO:0043283 GO:0043284 GO:0044249 GO:0005623 GO:0016020 GO:0016021 GO:0019012 GO:0019013 GO:0019028 GO:0019031
10	0.3009	1.64	0.47	0.31	2hg0A	0.81	GO:0005198 GO:0005623 GO:0016020 GO:0016021 GO:0019012 GO:0019031

Consensus Prediction of Gene Ontology terms

Molecular Function    Biological Process Cellular Location

GO term GO-Score    GO term GO-Score GO term GO-Score

GO:0005198 1.694    GO:0000003 1.400    GO:0016020 1.694

GO:0008026 0.770    GO:0022414 1.400    GO:0019012 1.694

GO:0030554 0.770    GO:0044260 1.044    GO:0005623 1.694

GO:0005524 0.770    GO:0043283 0.693    GO:0016021 1.694

GO:0003725 0.770    GO:0009058 0.693    GO:0019031 1.694

GO:0003724 0.770    GO:0044249 0.693    GO:0019028 1.234

GO:0042623 0.770    GO:0006139 0.693    GO:0019013 0.533

GO:0003968 0.528    GO:0009987 0.693    GO:0042175 0.237

GO:0004252 0.528    GO:0019079 0.585    GO:0005783 0.237

GO:0004175 0.528    GO:0050794 0.351    GO:0031090 0.237

(a) Ranking in the first table is based on a function prediction score (Fh-score), which is calculated based on the C-score of the structure prediction and the TM-score, IDEN^a, RMSD^a and Cov. of the structural alignment by TM-align between the predicted model and the PDB structures (For details, see Ambrish, Kucukural and Zhang,Large scale benchmarking of protein function prediction using predicted protein structures, 2009, submitted).

(b) RMSD^a is the RMSD between models and the PDB structure in the structurally aligned regions by TM-align.

(c) IDEN^a is the percentage sequence identity in the structurally aligned region.

(d) Cov. represents the coverage of the alignment and is equal to the number of structurally aligned residues divided by length of model.

(e) A consensus prediction of GO terms is derived from the structural analogs that have an Fh-score of >=1.0. The GO-Score associated with each prediction is defined as the average weight of the GO term, where the weights are assigned based on the Fh-score of the template from which the GO term is derived. A prediction with a GO-score >0.5 signifies a prediction with high confidence and vice versa.

Predicted Binding Site

Binding site residues in the model:

GLU:	20	HIS:	21	GLY:	22	SER:	23	CYS:	24	VAL:	25	LEU:	35
ASP:	36	ILE:	37	GLU:	38	LEU:	39	LEU:	40	LYS:	41	ILE:	134
VAL:	135	THR:	136	VAL:	137	GLN:	144	GLY:	146	ASN:	147	GLU:	148
THR:	149	THR:	150	HIS:	152	GLU:	263	ILE:	264	GLN:	265	THR:	270
THR:	271	ILE:	272	PHE:	273

Identified analogs with similar binding site:

Rank PDB
Hit TM-score RMSD^a IDEN^a Cov. BS-score Download
Complex Binding site residues on the predicted model

1 1kdgB 0.2786 7.37 0.05 0.46 0.23 Download 20,21,22,23,24,25,35,36,37,38,39,40,41,134,135,136,137,144,146,147,148,149,150,152,263,264,265,270,271,272,273

2 1ju2A 0.2654 7.45 0.07 0.44 0.22 Download 4,6,18,19,20,21,22,23,24,25,26,27,36,37,38,39,185,200,201,261,262,263,274,277,414,415

3 2ji6A 0.2779 7.66 0.07 0.47 0.13 Download 20,21,22,39,41,42,263,271,272,273,274,275,414

4 2ji6A 0.2779 7.66 0.07 0.47 0.00 Download 3,26,28,34,36,138,139,311,345,346,347,348,361,362

(a) Ranking of the analogs in the table is based on their BS-score. BS-score is calculated by first finding the structural analogs of the predicted model based on their TM-score, IDEN^a and Cov. of the structural alignment. The ligand(s) in the analog structure are then transferred onto the model and the fitness of the ligand-model complex (BS-score) is calculated by comparing the local structure and sequence similarity in the binding site region. (For detail, see Kucukural, Szilagyi, Ambrish, and Zhang, Template based ligand binding site prediction on modeled protein structure, 2009, in preparation).

(b) A BS-score of >0.5 signifies a binding site prediction with high confidence and vice-versa.
(c) RMSD^a 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 model.

(f) The image shows the ligand-protein complex with the best BS-score. The ligand is depicted in magenta colored ball & stick, the predicted binding site residues interacting with the ligand are shown as transparent green spheres, while the N & C terminus in the model are marked by blue and red spheres respectively.

	Please cite following articles when you use the I-TASSER server:
1.	Yang Zhang. I-TASSER server for protein 3D structure prediction. BMC Bioinformatics, 9:40 (2008).
2.	Yang Zhang. Template-based modeling and free modeling by I-TASSER in CASP7. Proteins, 8: 108-117 (2007).
3.	Sitao Wu, Jeffrey Skolnick, Yang Zhang. Ab initio modeling of small proteins by iterative TASSER simulations. BMC Biology, 5:17 (2007).