D-I-TASSER A2PYH4-D1

D-I-TASSER results for A2PYH4-D1

[Click result.zip to download all results on this page]

Input Sequence in FASTA format

>A2PYH4 (1074 residues)
MLKSNDCLFSLENLFFEKPDEVENHPDNEKSLDWFLPPAPLISEIPDTQELEEELESHKL
LGQEKRPKMLTSNLKITNEDTNYISLTQKFQFAFPSDKYEQDDLNLEGVGNNDLSHIAGK
LTYASQKYKNHIGTEIAPEKSVPDDTKLVNFAEDKGESTSVFRKRLFKISDNIHGSAYSN
DNELDSHIGSVKIVQTEMNKGKSRNYSNSKQKFQYSANVFTANNAFSASEIGEGMFKAPS
FSVAFQPHDIQEVTENGLGSLKAVTEIPAKFRSIFKEFPYFNYIQSKAFDDLLYTDRNFV
ICAPTGSGKTVVFELAITRLLMEVPLPWLNIKIVYMAPIKALCSQRFDDWKEKFGPIGLN
CKELTGDTVMDDLFEIQHAHIIMTTPEKWDSMTRKWRDNSLVQLVRLFLIDEVHIVKDEN
RGPTLEVVVSRMKTVQSVSQTLKNTSTAIPMRFVAVSATIPNAEDIAEWLSDGERPAVCL
KMDESHRPVKLQKVVLGFPCSSNQTEFMHYAGGLFEEYSETDILQMIGRAGRPQFDTTAT
AVIMTRLSTRDKYIQMLACRDLWENSLHVSKQLEKIGITLSNAIVNAGLTSFKKIEETDA
RELELILNRHPPFGTQIKETVMYLPKYELKVEQITRYSDTTAEILVTVILRNFEQLQTKR
TASDSHYVTLIIGDADNQVVYLHKITDSVLLKAGSWAKKIAVKRALKSEDLSINLISSEF
VGLDIQQKLTVFYLEPKRFGNQITMQRKSETQISHSKHSDISTIAGPNKGTTASKKPGNR
ECNHLCKSKHTCGHDCCKIGVAQKSEIKESTISSYLSDLRNRNAVSSVPPVKRLKIQMNK
SQSVDLKEFGFTPKPSLPSISRSEYLNISELPIMEQWDQPEIYGKVRQEPSEYQDKEVLN
VNFELGNEVWDDFDDENLEVTSFSTDTEKTKISGFGNTLSSSTRGSKLPLQESKSKFQRE
MSNSFVSSHEMSDISLSNSAMPKFSASSMTKLPQQAGNAVIVHFQERKPQNLSPEIEKQC
FTFSEKNPNSSNYKKVDFFIRNSECKKEVDFSMYHPDDEADEMKSLLGIFDGIF

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 540 560 580 600 620 640 660 680 700 720 740 760 780 800 820 840 860 880 900 920 940 960 980 1000 1020 1040 1060 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MLKSNDCLFSLENLFFEKPDEVENHPDNEKSLDWFLPPAPLISEIPDTQELEEELESHKLLGQEKRPKMLTSNLKITNEDTNYISLTQKFQFAFPSDKYEQDDLNLEGVGNNDLSHIAGKLTYASQKYKNHIGTEIAPEKSVPDDTKLVNFAEDKGESTSVFRKRLFKISDNIHGSAYSNDNELDSHIGSVKIVQTEMNKGKSRNYSNSKQKFQYSANVFTANNAFSASEIGEGMFKAPSFSVAFQPHDIQEVTENGLGSLKAVTEIPAKFRSIFKEFPYFNYIQSKAFDDLLYTDRNFVICAPTGSGKTVVFELAITRLLMEVPLPWLNIKIVYMAPIKALCSQRFDDWKEKFGPIGLNCKELTGDTVMDDLFEIQHAHIIMTTPEKWDSMTRKWRDNSLVQLVRLFLIDEVHIVKDENRGPTLEVVVSRMKTVQSVSQTLKNTSTAIPMRFVAVSATIPNAEDIAEWLSDGERPAVCLKMDESHRPVKLQKVVLGFPCSSNQTEFMHYAGGLFEEYSETDILQMIGRAGRPQFDTTATAVIMTRLSTRDKYIQMLACRDLWENSLHVSKQLEKIGITLSNAIVNAGLTSFKKIEETDARELELILNRHPPFGTQIKETVMYLPKYELKVEQITRYSDTTAEILVTVILRNFEQLQTKRTASDSHYVTLIIGDADNQVVYLHKITDSVLLKAGSWAKKIAVKRALKSEDLSINLISSEFVGLDIQQKLTVFYLEPKRFGNQITMQRKSETQISHSKHSDISTIAGPNKGTTASKKPGNRECNHLCKSKHTCGHDCCKIGVAQKSEIKESTISSYLSDLRNRNAVSSVPPVKRLKIQMNKSQSVDLKEFGFTPKPSLPSISRSEYLNISELPIMEQWDQPEIYGKVRQEPSEYQDKEVLNVNFELGNEVWDDFDDENLEVTSFSTDTEKTKISGFGNTLSSSTRGSKLPLQESKSKFQREMSNSFVSSHEMSDISLSNSAMPKFSASSMTKLPQQAGNAVIVHFQERKPQNLSPEIEKQCFTFSEKNPNSSNYKKVDFFIRNSECKKEVDFSMYHPDDEADEMKSLLGIFDGIF
Prediction	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHCCCCCCHHHHHHHHHCCCCCCCCCCHHHHCCCCCCCHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCHHHHHHHHCCCCHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSCCCCCCSCCCCCCCCCCCCCCCCCCCCHHHCCHHHHHHHHHCCCCCHHHHHHHHHHHHCCCCSSSSCCCCCCHHHHHHHHHHHHHHHCCCCCCCCSSSSSCCHHHHHHHHHHHHHHHHHHHCCSSSSSSCCCCCCCHHHCCCCCSSSSSHHHHHHHHHCCCCHHHHCCCCSSSSSCSCSCCCCCCCHHHHHHHHHHHHHHHHCCCCCCCCCCCCCSSSSSSCCCCCHHHHHHHHCCCCCCCSSSSSCCCCCCCCCSSSSSSSSCCCCHHHHHHHHHHHHHHHHHCCCCSSSSSCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHCCCCCSSSSSCCCCHHHHHHHHHCCCCCSSSSSSSSSSSCCCCCSSSSSSCHHHHHHCCCCCCCCCCCCSSSSSSCCCCHHHHHHHHHCCCCCCCCCCSSSSSCCCCCCCCSSSSSSSSCSSSSSSSSSSSSCCCCCHHHCCCCCCCCCCCCCCHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHCCCCCCCCCCCCCCSSSCCSCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHCCCCC
Confidence	987656666776310047553224655541100125776421245414667788875421254211156665331100111002434423556741255666542133443125666546777788877654320141111343310223554246652466777503665446763125643223442467788886422455567776666666554147876565667874011675420136787788885433466642445699999985189998899999999985399299982688428999999999999865766787079998468999999999999999860987999837998872111245989998178999998444531676137899996301137999628999999999986310011223357888179999468899999999965778887089967999987317999966267613567666666677664124526888646421323579999864443567887322343233456666677766544546666437752999998562344499963772478999876148855999952577638863378851187876113689988886379999527526899998750366655640235522456753058999962113100234333203456233256665322221111103332334312345444431014774455435677766674346798888754444432101012333332468863112335666777761221456775566532232135656765545677543354555632246666678886556656567676430102455555544555667766787666677866642443321257776677787633578764446776556688666875556764455334781565303566556887778424230103652113578776788752234566664225779
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 540 560 580 600 620 640 660 680 700 720 740 760 780 800 820 840 860 880 900 920 940 960 980 1000 1020 1040 1060 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MLKSNDCLFSLENLFFEKPDEVENHPDNEKSLDWFLPPAPLISEIPDTQELEEELESHKLLGQEKRPKMLTSNLKITNEDTNYISLTQKFQFAFPSDKYEQDDLNLEGVGNNDLSHIAGKLTYASQKYKNHIGTEIAPEKSVPDDTKLVNFAEDKGESTSVFRKRLFKISDNIHGSAYSNDNELDSHIGSVKIVQTEMNKGKSRNYSNSKQKFQYSANVFTANNAFSASEIGEGMFKAPSFSVAFQPHDIQEVTENGLGSLKAVTEIPAKFRSIFKEFPYFNYIQSKAFDDLLYTDRNFVICAPTGSGKTVVFELAITRLLMEVPLPWLNIKIVYMAPIKALCSQRFDDWKEKFGPIGLNCKELTGDTVMDDLFEIQHAHIIMTTPEKWDSMTRKWRDNSLVQLVRLFLIDEVHIVKDENRGPTLEVVVSRMKTVQSVSQTLKNTSTAIPMRFVAVSATIPNAEDIAEWLSDGERPAVCLKMDESHRPVKLQKVVLGFPCSSNQTEFMHYAGGLFEEYSETDILQMIGRAGRPQFDTTATAVIMTRLSTRDKYIQMLACRDLWENSLHVSKQLEKIGITLSNAIVNAGLTSFKKIEETDARELELILNRHPPFGTQIKETVMYLPKYELKVEQITRYSDTTAEILVTVILRNFEQLQTKRTASDSHYVTLIIGDADNQVVYLHKITDSVLLKAGSWAKKIAVKRALKSEDLSINLISSEFVGLDIQQKLTVFYLEPKRFGNQITMQRKSETQISHSKHSDISTIAGPNKGTTASKKPGNRECNHLCKSKHTCGHDCCKIGVAQKSEIKESTISSYLSDLRNRNAVSSVPPVKRLKIQMNKSQSVDLKEFGFTPKPSLPSISRSEYLNISELPIMEQWDQPEIYGKVRQEPSEYQDKEVLNVNFELGNEVWDDFDDENLEVTSFSTDTEKTKISGFGNTLSSSTRGSKLPLQESKSKFQREMSNSFVSSHEMSDISLSNSAMPKFSASSMTKLPQQAGNAVIVHFQERKPQNLSPEIEKQCFTFSEKNPNSSNYKKVDFFIRNSECKKEVDFSMYHPDDEADEMKSLLGIFDGIF
Prediction	644353121304411144355455445446425312430431440443542454246444445544444144424244444421322340523444443444424144444441441444033214323542344244544346344134335445443441344115144523442444344344424444224443454555535446441524342243644224341456315446263343246244235442440220440153024006615102200010021003442000000000010000000000100253444432000000000100021005303530461403000000114254444044000000011100000232323300330100000000003164100000000000321143344344444332000000000011052004002444543100103362000103100000224422220222133112312243112001332344244312000223254452133012123224223413441242024202000110033143044134430230001111001000310130021000032033125441322131113312211131132331000000013342121222114432244441213030444143330101000010000213230222313443154525354446544552464444445345543444453243403030443440313003422544453554444443442444443444442443445454455242542441344424524445246246142454444464344445434424555306151634442144043542433443454444444424442454454442416424441445246431445434323144432551446434544443442432426444465244434442342446355544234231103234246435244322444254030000012224
	Values range from 0 (buried residue) to 8 (highly exposed residue)

Predicted Contact, Hydrogen and Distance Map Used in D-I-TASSER simulation

Contact Map

Distance Map

Hydrogen bond networks

D-I-TASSER simulation is guided by the consensus contact map (left figure), distance map (middle figure) and Hydrogen bond network (right figure) derived based on confidence scores of DeepPotential. In the contact, distance map and hydrogen bond networks, the axes mark the residue index along the sequence. For the contact map, each dot represents a residue pair with predicted contact, while for the distance map and hydrogen bond network, a color scale represents a distance of 1-20+ angstroms or a angle of 0-180 degree.

Top 10 threading templates used by D-I-TASSER

Rank

PDB
hit

ID1

ID2

Cov

Norm.
Zscore

Download
alignment

                  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                 700                 720                 740                 760                 780                 800                 820                 840                 860                 880                 900                 920                 940                 960                 980                1000                1020                1040                1060

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

SS
Seq

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHCCCCCCHHHHHHHHHCCCCCCCCCCHHHHCCCCCCCHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCHHHHHHHHCCCCHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSCCCCCCSCCCCCCCCCCCCCCCCCCCCHHHCCHHHHHHHHHCCCCCHHHHHHHHHHHHCCCCSSSSCCCCCCHHHHHHHHHHHHHHHCCCCCCCCSSSSSCCHHHHHHHHHHHHHHHHHHHCCSSSSSSCCCCCCCHHHCCCCCSSSSSHHHHHHHHHCCCCHHHHCCCCSSSSSCSCSCCCCCCCHHHHHHHHHHHHHHHHCCCCCCCCCCCCCSSSSSSCCCCCHHHHHHHHCCCCCCCSSSSSCCCCCCCCCSSSSSSSSCCCCHHHHHHHHHHHHHHHHHCCCCSSSSSCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHCCCCCSSSSSCCCCHHHHHHHHHCCCCCSSSSSSSSSSSCCCCCSSSSSSCHHHHHHCCCCCCCCCCCCSSSSSSCCCCHHHHHHHHHCCCCCCCCCCSSSSSCCCCCCCCSSSSSSSSCSSSSSSSSSSSSCCCCCHHHCCCCCCCCCCCCCCHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHCCCCCCCCCCCCCCSSSCCSCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHCCCCC
MLKSNDCLFSLENLFFEKPDEVENHPDNEKSLDWFLPPAPLISEIPDTQELEEELESHKLLGQEKRPKMLTSNLKITNEDTNYISLTQKFQFAFPSDKYEQDDLNLEGVGNNDLSHIAGKLTYASQKYKNHIGTEIAPEKSVPDDTKLVNFAEDKGESTSVFRKRLFKISDNIHGSAYSNDNELDSHIGSVKIVQTEMNKGKSRNYSNSKQKFQYSANVFTANNAFSASEIGEGMFKAPSFSVAFQPHDIQEVTENGLGSLKAVTEIPAKFRSIFKEFPYFNYIQSKAFDDLLYTDRNFVICAPTGSGKTVVFELAITRLLMEVPLPWLNIKIVYMAPIKALCSQRFDDWKEKFGPIGLNCKELTGDTVMDDLFEIQHAHIIMTTPEKWDSMTRKWRDNSLVQLVRLFLIDEVHIVKDENRGPTLEVVVSRMKTVQSVSQTLKNTSTAIPMRFVAVSATIPNAEDIAEWLSDGERPAVCLKMDESHRPVKLQKVVLGFPCSSNQTEFMHYAGGLFEEYSETDILQMIGRAGRPQFDTTATAVIMTRLSTRDKYIQMLACRDLWENSLHVSKQLEKIGITLSNAIVNAGLTSFKKIEETDARELELILNRHPPFGTQIKETVMYLPKYELKVEQITRYSDTTAEILVTVILRNFEQLQTKRTASDSHYVTLIIGDADNQVVYLHKITDSVLLKAGSWAKKIAVKRALKSEDLSINLISSEFVGLDIQQKLTVFYLEPKRFGNQITMQRKSETQISHSKHSDISTIAGPNKGTTASKKPGNRECNHLCKSKHTCGHDCCKIGVAQKSEIKESTISSYLSDLRNRNAVSSVPPVKRLKIQMNKSQSVDLKEFGFTPKPSLPSISRSEYLNISELPIMEQWDQPEIYGKVRQEPSEYQDKEVLNVNFELGNEVWDDFDDENLEVTSFSTDTEKTKISGFGNTLSSSTRGSKLPLQESKSKFQREMSNSFVSSHEMSDISLSNSAMPKFSASSMTKLPQQAGNAVIVHFQERKPQNLSPEIEKQCFTFSEKNPNSSNYKKVDFFIRNSECKKEVDFSMYHPDDEADEMKSLLGIFDGIF

5m59A

0.13

0.12

4.28

0.41

CEthreader

IPVRQEEKLELAKLLARVPIPVKESIEEPTAKINVLLQAYISRLKLEGLALMADMVYVTQSAGRILRAIFEICLKKGWASVAKLTMSPLRQYPTCPAEIIKKAERMDVPWSSYFDLDPPRMGELLGMPKAGKTVCALVSKFPRVEIQGNVQPMTRSMLRIELTITPNFQWDVELHGVTESFWILVEDCDGEEILFHDVFILRKDLAEAEENEHTVEFTVPISEPMPPNYFISETRMPVSFQKLILPERFPPHTELLDLQPLPVSALKAKDYAALYPNWQQFNKIQTQTFNSLYNTDNNVLVAAPTGSGKTVCAEFALLRHWAKKDAG----RAVYIAPFQELVDLRFQDWQKRLSHLGKEIVKLTGETTTD-LKLLEQGDLILATPLQWDVLSRQWKRRKNVQTVELFIADDLHML-GGQMGYIYEIVVSRMHFIRTQTEL--------PMRIVGLSVSLANARDIGEWI--DAKKHDIYNFSPHVRPVPLELHIQSYTIPHFPSLMLAM-------------AKPTYLAITQLSPDQPAIVFVPSRKQTRATARDLLTACLADD------DEDRFLHVEVDQIRKL----LDHVQEEALAEALSHGVGYYHEALS--------QSDKRIVKHLYN---NGAIQVLIASRDVCWEL--------DFTAHLVVV----------MGTQFFEGKEHRYIDY-PLSEVLQMFGKALQPSKDGRSRGVLMLPAVKREYYKKFLNEALPVESHLHNFLPDAFVTEISTLLANPSYYGLQDPTHDGLSQYLSDLVETTLKQLSDARIIEMDEDEGTVAPLNAAMIAAYYNISYMTMEMFLLSLSHKSKLRTILEIVTAATEFESIQTRRHEEGILKRIYDHVPVKMNNPVWDSAHFKAFVLVQAHFSRMNLPIDLAKDQEVILQKILSLLSAIVDILSS--EGHLNALNAMEMSQMVVQAMWDRDSPLKQIPNFTPEVVKVANKYGINDIFDFMEQMNPEENPNYASLVKDLGLTQAQLAQAANFTNNKYPDITLEFEVDDPDNIRAGEPAYLKIHIERELEEDEEFDPTVHAPFYPGKK

7abis

0.08

0.07

2.79

0.88

EigenThreader

-----------------------APRQVLDLEDLVFTQGSHF-------------------MANKRCQLPDGSHVPALKPKPFGSEEQLLPVEKLPKYAQAGFEGFKTLNRIQSKLYRAALETDENLLLCAPTGAGMDGTINVDDFKIIYIAPMRSLVQEMVGSFGKRLATYGITVAELTCKEEISATQIIVC--TPEKWDIITRKGGERTYTQLVRLIILDEIHLLHDMTQEDGLSATLPNYEDVATFLRVDPAKG----------------------------------LFYFDNSFYVGITEKKAIKRFQIMNEIVYEKIMEHAGKNQVLVFVRKETGKTARAIRDMCLEKDTLGLFLREGSASTEVLRTEAEQCPYGFAIHH-----AGMTRVDRTLVEDLFADKHIQVLVSTGVNLPAHTVIIKGTLDILQMLGRAGRPQYDTKGEGILITSH--GELQYYLSLLNQQLPIE------SQMVSKNLVKYDQV--TYITNDTVQTYNQLLKPTLSEIELFRVFSLSSEFKNITVREEIPVKESIEEPSAKINVLLQAFISQLKMVYVTQSAGRLMRAIFEIVLNRGWAQLTDKTLNLCKMIDKRMWQSMCPLRQFKYVHLFPKLELSVHLQTR--STLKVELTITPDFQ-----WDEKVHGSSEAFWILVVDSEVEYFLLKA-------KYATFFVPVF--EPLPPQYFIRVVSD--RWLSCETQLPVSFRHLILPEKYPPPTELLDLQPLPVSALRNSAFESLYQDKFPFFNPIQTQVFNTVYNSDDNVFVGAPTGSGIGGENGPVLEVICSRMRYISSQIERPIRIVALSSS---LSNAKDVAHWLGC--SATSTFNFHPNVRPVPIQGFNISHLSMAKPVYHAITKHSPKKPVIVFVPSRKQTRLTAID-----ILTTCAADIQRQRFLHCTEKDLIPYLEKLSDSTLKETLLNGVGYLHEGLSPMERRLVEQLFSSGAIQSLCWGMNVAAHLVIIMDT-QKIHYPIYDVLQMVGHANRPLQD-DEGRCV-IMCQGSKKDFFKKFLYEPLPVE-------SHLDHCM

7abis

0.19

0.17

5.47

1.80

FFAS-3D

-------LGRIASHYYITNDTVQTY---NQLLKPTLSEIELFRVFSLSSEFEEKLELQKLL--ERVPIPVKESIEEPSAKINVLLQAFISQLKLEGFALMADMVYVTQSANRGWAQLTDKTLNLCKMIDKRMWQSMCPLRQFRKPEEVVKKIEKKNFPFERLHNEIFQWDEKVHGSSEAEDVDSEVILHHEYFLLKAKYAQDEHLITFEPLPPQYF--IRVVSDRWLSCETQRHLILPEKYPPPTELLDLQPLPVSALRN--------SAFESLYQDFPFFNPIQTQVFNTVYNSDDNVFVGAPTGSGKTICAEFAILRMLLQSS----EGRCVYITPMEALAEQVYMDWYEKFQDLNKKVVLLTGETSTD-LKLLGKGNIIISTPEKWDILSRRWKQRKNVQNINLFVVDEVHLIGGE-NGPVLEVICSRMRYISSQIE--------RPIRIVALSSSLSNAKDVAHWLGCSATS--TFNFHPNVRPVPLELHIQGFNISHTQTRLL--------SMAKPVYHAITKHSPKKP------VIVFVPSRKQTRLTAIDILTTCAADIQDLIPYLEKLDSTLKETLLNGVGYLHEGLSPMERRLVEQLFSSGAIVASRSLCWGMNVAAHLVIIMDTQYYNGKIHAYV-DYPIYDVLQMVGHANRPDDEGRCVIMCQGSKESHLDHCMHDHFNAEI--------VTKTIENKQDAVDYLTWTFLYRRMTQ-------NPNYYNLQGISHRHLSDHLSE-------------LVEQTLSDLEQSKCISIEDEMDVAPLNLGM--IAAYYYINYTTIELFSMSLNAKTKISNAAEYENIPIRHHEDNLLRQLAQKVPHKLNNPKFNDPHHLSRMQLSAELQSDTEEILSKAISNGWLSPALAAMELAQMVTQAMWSHFTSEHIKRCTDKGVESVFDIMEMEDEERNALLQLTDSQIADVARFCNRYPNIELSYEVVDKDSIRSGGEEVTGPVIAPLFPQKREEGWWVVIGDAKSNSL---ISIKRLTLQQKAKVAPATGAHNYTLYMSDAYMGCD------------------------

7abis

0.17

0.15

5.05

1.40

SPARKS-K

ITVREEEKLELQKLLERVPIPVKESIEEPSQLK--LEGFALMADMVAGRLMRAIFEIVLNRGDKRMWQSMCPLRQFRKLPEEVVKKIEKKN--FPFERLYDLNHNEIGELIRMPKMGKTIHKYVHLFPKLELSVHLQPI-TRSTLKVELTITPD------------FQWDEKVHGSSEAVDSEVILHHEYFLLKAKYAQDEHLITFFVFEPLPPQ-YFIRVVSDRWLSCE-----TQLPVFRHLILPEKYPPPTELLDLQPLPVSALNSAFESLYQDFPFFNPIQTQVFNTVYNSDDNVFVGAPTGSGKTICAEFAILRMLLQSS----EGRCVYITPMEALAEQVYMDWYEKFQDRNKKVVLLTGET-STDLKLLGKGNIIISTPEKWDILSRRWKQRKNVQNINLFVVDEVHLIG-GENGPVLEVICSRMRYISSQIERP--------IRIVALSSSLSNAKDVAHWLGCSAT--STFNFHPNVRPVPLELHIQGFN-ISHTQTRLLSM--------AKPVYHAITKHSP---KKPVIVFVPSRKQTRLTAIDILTTCAADIQRQR---------------FLHCTEKDLIPYLELSDSTLKETLLNHEGLSPMERRLVEQLIQVVVASRSLCWGMNVAAHLVIIMYYNGKIQMVGHANRPLQ--------DDEGRCVIMCQMHDHFNAEIKTIENKQDAVDYLTW----------TFLYRRMTQN--PNYYNLQGISHRHLSDHLSELVEQTLSDLEQSKCISIEDEMDVAPLNLGMIAAYYYIN------------YTSMSLNAKTKVRGLIEIISNAAEYENIP----IRHHEDNLLRQLAQKVPHKLNNPKFNDPHVSRMQLSAELQSDTEEILSKAIRLIQACVDVSSNGWLSPALAAMEAMWSK-DSYLKQLPHFTCTDKGVESVFDIMEMEDEERNALLQLTDSQIADVARFCNRYPNIELSYEVVDKDSIRSGGPVVVLVQLEEVTGPVIAPLFPQKREEGIGDAKSNSLISIKRLTLQQKAKVKLDFV---APATGAHNYTLYFMSDAYMGCDQEYKFSVD--

4f92B

0.27

0.10

2.97

2.41

CNFpred

----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PVSALNSAFESLYQKFPFFNPIQTQVFNTVYNSDDNVFVGAPTGSGKTICAEFAILRMLLQS----SEGRCVYITPMEALAEQVYMDWYEKFQDRNKKVVLLTGETS-TDLKLLGKGNIIISTPEKWDILSRRWKQRKNVQNINLFVVDEVHLIGGE-NGPVLEVICSRMRYISSQI--------ERPIRIVALSSSLSNAKDVAHWLGCS--ATSTFNFHPNVRPVPLELHIQGFNIS----HTQTRLLS-----MAKPVYHAITKHS------KKPVIVFVP----------------------SRKQTRLTAIDILTTCAADI--QRQRFLHCTEKDLIPYLEKL--SDSTLKETLL--NGVGYLHEGLSPME-AIQVVVASRSLCWGMNVA-------AHLVIIMDTQYYNHAYVDYPIYDVLQMVGHANRPLQDD-------EGRCVIMCQG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

3hmjG

0.06

0.02

1.03

0.50

DEthreader

-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GGQGNTDDYFEELR---------------VFTQGLNILEWLTPDKDYLLSIPIS---CPLIGVIQLAHYVVAKPWESFFVSVRKAIVLDIQIPVYTTQFKATHIL------------------------------------------------VTSNGLKKNPNWEEYETKFSKLIGRQKYLGLKPSIDSFEDAHTSGTYLGEWTKFMPFFLFGSWEQTYKPTIVTVRSEMGEPIHWFDIFVLERDIISRLNADFQFKSLWQSLAVVDQDVQRTC-------------IDEPIK--SIMDGIHDGHIKL-PAVEYFGG-E--S---P--V--------------------------------------------------DSA-VFK-AT----------SSTDEESWFKALAGSEINWRHISNGNTSSKTV--LLKENIIYNFNPDNGFAPISE-----LKLVHLFYRIHVSRHFASYA--------HG-MFSSASVRALIENWAADSV-RV-GYTCQF----SIQHVGMINGRK--------------------T-VFTGQGSQEQGINNVKGLLSATQRGMTMQVVPRDELGRSNYG-------------------------TGW---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

5m59A

0.06

2.42

1.29

MapAlign

KRVFKGYEE---IHVPPPKKCFPTAFLDDGNMLVCAPTGSGKTNVAMLTMLREIGKNRNEKGEIDLDAFK-------------------------------------------------IVYIAPLKALVQEQVGNFGKRLEPYGIKVSELTGDRQLTKQQISQVIVTTPEKWDVITRKATDISYTNLVRLIIIDEIHLLHDDRGPVLESIVSRTIRRTEQTGEPVRIIGLSATLPNYRLRVDFEKGLFYFDGSYRPCPLRQEFIGVTDKKAIKQLKTMNDITY-QKVLEHVGQNRNQMLIFVHSRKETFGIHHVLVCTATLAWGVNLPAHTVIIKGTQV------------YSPEKGSWVELSPQDVLQMLGRAGRYGEGIIITTQGEIP----------YYLSLLNQQLPIESQLVSKLVDSLNAEIVLGNVRDEGVEWLGYTYLFRVDLIHSAAMVLKKSN-LIKYDEKTGKMQATEL------------GRIASHYYISHESMDTYNKLIHPAMNDVELFRVFAQSGEFAKLLARVPIPVKESIEEPTAKINVLLQAYISALMADMVYVTQSAGRILRAIFEICLGWASVAKLA-LNMCKMAEGELLGMPKAGKTVCALKFPRVEIQGNVQPMTRSMLRIELTITPNFQWDVELHGV---TESFWILVEDCGEEILFHDVFILRKLAEAEENTVEFTVPIEPMPPNYFISVISDRWMHSETRMPVSFQAEFALLRHWAKKDAGRAVYIAPFQELVDLRFQDWQKRLSHLRGGKEIVKLTGETTTDLKLLILATPLQWDLHMLGGQMGYIYEIVVSRLMLAMAKPTYLAITQLSPDQPAIVFVPSRKQTRATARDLLTACLADDDEDRFLHVEVDQIRKLLDHVQEEALAEALSHGVGYYSDKRIVKHLYNNGAIQVLIASRPLSEVLQMFGKALQPSKDGRSRGVLMLPAVKREYYK---------------------------------KFLNEALPVESHLHNFLPDAFVTEISTKMIESGEDAINWTFTYFYRRLLANPSYYGLQDPTHDGLSQYLSDLVETTLKQL

5m59A2

0.18

0.13

4.15

1.31

MUSTER

----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ILPERFPPHTELLDLQPLPVSALKKDYAALYPNWQQFNKIQTQTFNSLYNTDNNVLVAAPTGSGKTVCAEFALLRHWAKKD----AGRAVYIAPFQELVDLRFQDWQKRLSHLGKEIVKLTGETT-TDLKLLEQGDLILATPLQWDVLSRQWKRRKNVQTVELFIADDLHMLGG-QMGYIYEIVVSRMHFIRTQTE--------LPMRIVGLSVSLANARDIGEWIDAKKHD--IYNFSPHVRPVPLELHIQSYTIPHFPSLMLAMAKPTYLAITQLSP--IVFVPSRKQTRATARDLLTACLADDDEDRFLHVEVDIRKLLDHVQEEALAEALSHGVGYYHEALSQKRIVKHLYNNGAIQVL-----IASRDVCWELDFTAHLVVVMGTQFFEGKEHRYIDYPLSEVLQMFGKLQPSKDGRSRGVLMLPAVKREYYKKFLNEALPVES-HLHNFLPSTKMIESGEDAINWATFTYF-------YRRLLANPSYYGLQDPTHDGLSQYLSDLVETTLKQEMDEDEGTVAPLNAAMIAAYYNIS------YMTMEM---LLSLSHKSKLRTILEIVTA-------TEFESIQTRRHEEGILKYDHVPVKMNNPVWDSAHFAHFSRMNLPIDLAKDQEVILQKIL---SSEGHLNALNA-VVQA--MWDRIPNFTPEVVKVANKYGINDIFDFMEQMNPEENPNYASLVKDLGLTQAQLAQ------------AANFTNNKYEFEVDDPDNIRAGEPAYIHIERELEEDEEFDPTVHAPFYPGKKSENESTKTIKRVTVGKELNVKLEFVV--PSPGKHDLKLFL-MSDSYV

5gm6B2

0.20

0.09

2.75

2.74

HHsearch

-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KLPKKFPPP-----TPLLENISISTSELGNDFSEVFE-FKTFNKIQSQVFESLYNSNDSVFVGSGKGTGKTAMAELALLNHWRQ-----NKGRAVYINPSGEKIDFLLSDWNKRFSHGGKIINKLGNDPSL-NLKLLAKSHVLLATPVQFELLSRRWRQRKNIQSLELMIYDDAHEISQGVYGAVYETLISRMIFIATQ--------LEKKIRFVCLSNCLANARDFGEWAGMT--KSNIYNFSPSERIEPLEINIQSFKDVEHISFNNLYDGHKYMPYTINELLEMVGLASGN-DSMAGKVLILTSHNMKAYYKKFLIEPLVWDVD-NPLRQIPHFNNKILEKCKEINVETVYDIMALEDEERDEILTLTDSQLAQVAAFVNNYPNVELTYSLNNSDSLSGVKQKITIQLTRDVEENLQVTSEKYPSWWLVLGEVSKELYAIKKVTLNKE----TQQYELEFDTPSGKHNLTIWCVCDSYLDADKELSFEINVK----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

7abis

0.15

4.91

0.36

CEthreader

ELFRVFSLSSEFKNITVREEEKLELQKLLERVPIPVKESIEEPSAKINVLLQAFISQLKLEGFALMADMVYVTQSAGRLMRAIFEIVLNRGWAQLTDKTLNLCKMIDKRMWQSMCPLRQFRKLPEEVVKKIEKKNFPFERLYDLNHNEIGELIRMPKMGKTIHKYVHLFPKLELSVHLQPITRSTLKVELTITPDFQWDEGSSEAFWILVEDVDSEVILHHEYFLLKAKYAQDEHLITFFVPVFEPLPPVVSDRWLSCETQLPVSRNSAFESLYQDKFPFFNPIQTQVFNTVYNSDDNVFVGAPTGSGKTICAEFAILRMLLQSS----EGRCVYITPMEALAEQVYMDWYEKFQDRLNKKVVLLTGETSTDLKLLGKGNIIISTPEKWDILSRRWKQRKNVQNINLFVVDEVHLI-GGENGPVLEVICSRMRYISSQI--------ERPIRIVALSSSLSNAKDVAHWLGCSATSTFNF--HPNVRPVPLELHIQGFNISHTQTRLLSMAKPVYHTKHSPKKPVIVFVPSRKQTRLTAIDILTCAADIQRQRFLHCTEKDLIPYLEKLSDSTLKETLLNGVGYLHEGLSPMERRLVEQLFSSGAIQVVVASRSLCWG---MNVAAHLVIIMDTQYYNGKIHAYVDYPIYDVLQMVGANRPLQDDEGRCVIMCQGSKKDFFKKHDHFNAEIVTKTIENKQGISHRHLSDHLSVEQTLSDLEQSKCISIEDEMDVAPLNLGMIAAYYYINYTTIELFSMSLNAKTKVRGLIEIISNAAEYENIPIRHHEDNLLRQLAQKVPHKLNNPKFNDPHVKTNLLLQAHLSRMQLSAELQSDTEEILSKAIRLIQACVDVLSSNGWLSPALAAMELAQMVTQAMWSKDSYLKQLPHFTSEHIKRCTDKGVESVFDIMEMEDEERNALLQLT-DSQIADVARFCNRYPNIELSYEVVDKDSIRSGGPVVVLVQLEREEEVTGPVIAPLFPQKREEGWWVVIGDAKSNSLISIKRLTLQQKAKVKLDFVAPATGAHNYTLYFMSDAYMGCDQEYKFSVD------------------------

(a)	ID1 is the number of template residues identical to query divided by number of aligned residues.
(b)	ID2 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 and is highlighted in bold.
(e)	Download alignment lists the threading program used to identify the template, and provide the 3D structure of aligned regions of threading templates (threading[1-10].pdb.gz).
(f)	Template residues identical to query sequence are highlighted in color.

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.4541

(a)

D-I-TASSER simulations generate a large ensemble of structural conformations, i.e. decoys. These decoys are clustered by SPICKER based on pairwise structure similarity to report up to five final models from the five largest clusters. Models are ranked in descending order of cluster size. If the simulations converge well, it is possible to have less than 5 models generated, which is usually an indication of good model quality.

(b)

The model confidence is quantitatified by estimated TM-score (eTM-score), calculated based on significance of threading template alignments, contact map satisfaction rate, mean absolute error between distance of model and distance of DeepPotential, and convergence of D-I-TASSER simulations. eTM-score is typically in the range of [0, 1], with higher eTM-score signifies higher model confidence.

Proteins with similar structure

Top 10 structural analogs in PDB (as identified by TM-align)

Rank	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	Download Alignment
1	5m59A	0.87	3.27	0.129	0.932	model1_5m59A.pdb.gz
2	7abis	0.84	3.58	0.150	0.916	model1_7abis.pdb.gz
3	4bgdA	0.81	4.29	0.113	0.913	model1_4bgdA.pdb.gz
4	2va8B	0.51	4.98	0.141	0.594	model1_2va8B.pdb.gz
5	5agaA	0.51	5.26	0.115	0.600	model1_5agaA.pdb.gz
6	2zjaA	0.51	5.26	0.138	0.594	model1_2zjaA.pdb.gz
7	2p6rA	0.50	5.19	0.150	0.590	model1_2p6rA.pdb.gz
8	5mc6h	0.48	5.38	0.126	0.567	model1_5mc6h.pdb.gz
9	4a4zA	0.47	5.29	0.154	0.557	model1_4a4zA.pdb.gz
10	6fszMM	0.47	5.32	0.118	0.552	model1_6fszMM.pdb.gz

(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 Gene Ontology (GO) Terms

Molecular Function (MF)

GO term	Cscore^GO	Name
GO:0003824	0.97	catalytic activity
GO:0017111	0.96	nucleoside-triphosphatase activity
GO:0004386	0.95	helicase activity
GO:0042623	0.88	ATPase activity, coupled
GO:0008026	0.86	ATP-dependent helicase activity
GO:0003724	0.80	RNA helicase activity
GO:0004004	0.77	ATP-dependent RNA helicase activity

Download full result of the above consensus prediction.

Click the graph to show a high resolution version.

(a)

Cscore^GO is the confidence score of predicted GO terms. Cscore^GO values range in between [0-1]; where a higher value indicates a better confidence in predicting the function using the template.

(b)

The graph shows the predicted terms within the Gene Ontology hierachy for Molecular Function. Confidently predicted terms are color coded by Cscore^GO:

[0.4,0.5)

[0.5,0.6)

[0.6,0.7)

[0.7,0.8)

[0.8,0.9)

[0.9,1.0]

Biological Process (BP)

GO term	Cscore^GO	Name
GO:0009987	0.94	cellular process
GO:0044260	0.88	cellular macromolecule metabolic process
GO:0044238	0.88	primary metabolic process
GO:0034641	0.88	cellular nitrogen compound metabolic process
GO:0090304	0.87	nucleic acid metabolic process
GO:0016070	0.71	RNA metabolic process
GO:0010501	0.54	RNA secondary structure unwinding

Download full result of the above consensus prediction.

Click the graph to show a high resolution version.

(a)

Cscore^GO is the confidence score of predicted GO terms. Cscore^GO values range in between [0-1]; where a higher value indicates a better confidence in predicting the function using the template.

(b)

The graph shows the predicted terms within the Gene Ontology hierachy for Biological Process. Confidently predicted terms are color coded by Cscore^GO:

[0.4,0.5)

[0.5,0.6)

[0.6,0.7)

[0.7,0.8)

[0.8,0.9)

[0.9,1.0]

Cellular Component (CC)

GO term	Cscore^GO	Name
GO:0044424	1.00	intracellular part
GO:0043229	0.87	intracellular organelle
GO:0044444	0.77	cytoplasmic part
GO:0043231	0.70	intracellular membrane-bounded organelle
GO:0044446	0.68	intracellular organelle part
GO:0032991	0.68	macromolecular complex
GO:0005737	0.68	cytoplasm
GO:0044428	0.64	nuclear part
GO:0005634	0.56	nucleus
GO:0043232	0.53	intracellular non-membrane-bounded organelle

Download full result of the above consensus prediction.

Click the graph to show a high resolution version.

(a)

Cscore^GO is the confidence score of predicted GO terms. Cscore^GO values range in between [0-1]; where a higher value indicates a better confidence in predicting the function using the template.

(b)

The graph shows the predicted terms within the Gene Ontology hierachy for Cellular Component. Confidently predicted terms are color coded by Cscore^GO:

[0.4,0.5)

[0.5,0.6)

[0.6,0.7)

[0.7,0.8)

[0.8,0.9)

[0.9,1.0]

Predicted Enzyme Commission (EC) Numbers

Top 5 enzyme homologs in PDB

Rank	Cscore^EC	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	EC Number	Predicted Active Site Residues
1	0.060	3e90D	0.074	6.10	0.036	0.094	3.4.21.91	NA
2	0.060	2zxqA	0.273	9.08	0.048	0.423	3.2.1.97	NA
3	0.060	2v8oA	0.306	5.33	0.085	0.366	3.4.21.91	NA
4	0.060	1ofdA	0.275	9.30	0.042	0.434	1.4.7.1	NA
5	0.060	1n1hA	0.283	9.46	0.033	0.454	2.7.7.48	NA

	Click on the radio buttons to visualize predicted active site residues.
(a)	Cscore^EC is the confidence score for the Enzyme Commission (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.

Predicted Ligand Binding Sites

Template proteins with similar binding site:

Click to view	Rank	Cscore^LB	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	BS-score	Lig. Name	Download Complex	Predicted binding site residues
	1	0.01	3m5nB	0.089	5.65	0.028	0.109	0.12	III	complex1.pdb.gz	308,309,310,317,318
	2	0.01	1dy9A	0.079	6.67	0.025	0.104	0.13	III	complex2.pdb.gz	257,284,310,311

	Click on the radio buttons to visualize predicted binding site and residues.
(a)	Cscore^LB is the confidence score of predicted binding site. Cscore^LB values range in between [0-1]; where a higher score indicates a more reliable ligand-binding site prediction.
(b)	BS-score is a measure of local similarity (sequence & structure) between template binding site and predicted binding site in the query structure. Based on large scale benchmarking analysis, we have observed that a BS-score >1 reflects a significant local match between the predicted and template binding site.
(c)	TM-score is a measure of global structural similarity between query and template protein.
(d)	RMSD^a the RMSD between residues that are structurally aligned by TM-align.
(e)	IDEN^a is the percentage sequence identity in the structurally aligned region.
(f)	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.

[Click result.zip to download all results on this page]

References:
1.	Wei Zheng, Qiqige Wuyun, Yang Li, Quancheng Liu, Xiaogen Zhou, Yiheng Zhu, P. Lydia Freddolino, Yang Zhang. Integrating deep learning potentials with I-TASSER for single- and multi-domain protein structure prediction. Submitted. 2023.