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I-TASSER results for job id S34350

  Submitted Sequence

>your_protein
MNTQPTRAIETSGLVKVYNGTRAVDGLDLNVPAGLVYGILGPNGAGKSTTIRMLATLLRP
DGGTARVFGHDVTSEPDTVRRRISVTGQYASVDEGLTGTENLVMMGRLQGYSWARARERA
AELIDGFGLGDARDRLLKTYSGGMRRRLDIAASIVVTPDLLFLDEPTTGLDPRSRNQVWD
IVRALVDAGTTVLLTTQYLDEADQLADRIAVIDHGRVIAEGTTGELKSSLGSNVLRLRLH
DAQSRAEAERLLSAELGVTIHRDSDPTALSARIDDPRQGMRALAELSRTHLEVRSFSLGQ
SSLDEVFLALTGHPADDRSTEEAAEEEKVA

  Predicted Secondary Structure

Sequence                  20                  40                  60                  80                 100                 120                 140                 160                 180                 200                 220                 240                 260                 280                 300                 320
                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |           
MNTQPTRAIETSGLVKVYNGTRAVDGLDLNVPAGLVYGILGPNGAGKSTTIRMLATLLRPDGGTARVFGHDVTSEPDTVRRRISVTGQYASVDEGLTGTENLVMMGRLQGYSWARARERAAELIDGFGLGDARDRLLKTYSGGMRRRLDIAASIVVTPDLLFLDEPTTGLDPRSRNQVWDIVRALVDAGTTVLLTTQYLDEADQLADRIAVIDHGRVIAEGTTGELKSSLGSNVLRLRLHDAQSRAEAERLLSAELGVTIHRDSDPTALSARIDDPRQGMRALAELSRTHLEVRSFSLGQSSLDEVFLALTGHPADDRSTEEAAEEEKVA
PredictionCCCCCCCSSSSSSSSSSSCCSSSSCCCSSSSCCCCSSSSSCCCCCCHHHHHHHHHCCCCCCCCSSSSCCCCCCCCHHHHHHHCCSCCCCCCCCCCCCHHHHHHHHHHHCCCCHHHHHHHHHHHHHHCCCHHHHCCHHHHCCHHHHHHHHHHHHHHCCCCSSSSCCCCCCCCHHHHHHHHHHHHHHHHCCCSSSSSCCCHHHHHHHCCSSSSSSCCSSSSSCCHHHHHHHCCCCSSSSSSCCCCCHHHHHHHHHCCCCCSSSSSCCCSSSSSSCCCHHHHHHHHHHHHHCCCCSSSSSCCCCCHHHHHHHHHCCCCCCCCCCCCCCCCCCC
Conf.Score999998469996139997999986240568748748999789989899999999669689987799988825107999998640703646668667399999999987299989999999999998699778646455568789999999999738998899769976789999999999999999789899997887899997578899998999999589999998639988999966866457789876325881279816874999980877779999999997799469988268999999999828775565545555555579

  Top 5 Models predicted by I-TASSER

Download Model 1 Download Model 2 Download Model 3 Download Model 4 Download Model 5
C-score=-2.30
 C-score=-2.21
 C-score=-2.30
 C-score=-3.15
 C-score=-3.06
 
Estimated accuracy of Model1: 0.44±0.14 (TM-score)    11.8±4.5Å (RMSD)    (Read more about C-score of generated models)

  Top 10 templates used by I-TASSER

RankPDB
Hit		Iden1Iden2Cov.Norm.
Z-score		Download
Align.		                   20                  40                  60                  80                 100                 120                 140                 160                 180                 200                 220                 240                 260                 280                 300                 320
                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |          
Sec.Str
Seq		CCCCCCCSSSSSSSSSSSCCSSSSCCCSSSSCCCCSSSSSCCCCCCHHHHHHHHHCCCCCCCCSSSSCCCCCCCCHHHHHHHCCSCCCCCCCCCCCCHHHHHHHHHHHCCCCHHHHHHHHHHHHHHCCCHHHHCCHHHHCCHHHHHHHHHHHHHHCCCCSSSSCCCCCCCCHHHHHHHHHHHHHHHHCCCSSSSSCCCHHHHHHHCCSSSSSSCCSSSSSCCHHHHHHHCCCCSSSSSSCCCCCHHHHHHHHHCCCCCSSSSSCCCSSSSSSCCCHHHHHHHHHHHHHCCCCSSSSSCCCCCHHHHHHHHHCCCCCCCCCCCCCCCCCCC
MNTQPTRAIETSGLVKVYNGTRAVDGLDLNVPAGLVYGILGPNGAGKSTTIRMLATLLRPDGGTARVFGHDVTSEPDTVRRRISVTGQYASVDEGLTGTENLVMMGRLQGYSWARARERAAELIDGFGLGDARDRLLKTYSGGMRRRLDIAASIVVTPDLLFLDEPTTGLDPRSRNQVWDIVRALVDAGTTVLLTTQYLDEADQLADRIAVIDHGRVIAEGTTGELKSSLGSNVLRLRLHDAQSRAEAERLLSAELGVTIHRDSDPTALSARIDDPRQGMRALAELSRTHLEVRSFSLGQSSLDEVFLALTGHPADDRSTEEAAEEEKVA
11vplA 0.34 0.26 0.72 2.40Download ------GAVVVKDLRKRIGKKEILKGISFEIEEGEIFGLIGPNGAGKTTTLRIISTLIKPSSGIVTVFGKNVVEEPHEVRKLISYLPEEAGAYRNMQGIEYLRFVAGFYASSSSEIEEMVERATEIAGLGEKIKDRVSTYSKGMVRKLLIARALMVNPRLAILDEPTSGLDVLNAREVRKILKQASQEGLTILVSSHNMLEVEFLCDRIALIHNGTIVETGTVEELKERYKAQ--------------------------------------------------------------------NIEEVFEEVVK------------------
21g29A 0.23 0.27 0.91 2.47Download -----MAGVRLVDVWKVFGEVTAVREMSLEVKDGEFMILLGPSGCGKTTTLRMIAGLEEPSRGQIYIGDKLVADPEKPKDRDIAMVFQSYALYPHMTVYDNIAFPLKLRKVPRQEIDQRVREVAELLGLTELLNRKPRELSGGQRQRVALGRAIVRKPQVFLMDEPLSNLDAKLRVRMRAELKKLQRQGVTTIYVTHDQVEAMTMGDRIAVMNRGVLQQVGSPDEVYDKPANTFLDAIVTEDG----------------FV-DFGE--FRLKLL--PDQFEVLGELGYVGR-EVIFGIRP---EDLYDAMFAQVRPGENRVREGVEVDV-
31oxsC 0.23 0.27 0.98 4.83Download -----MVRIIVKNVSKVFKKVVALDNVNINIENGERFGILGPSGAGKTTFMRIIAGLDVPSTGELYFDDRLVASNGKPEDRKIGMVFQTWALYPNLTAFENIAFPLTNMKMSKEEIRKRVEEVAKILDIHHVLNHFPRELSGGQQQRVALARALVKDPSLLLLDEPFSNLDARMRDSARALVKEVQSRGVTLLVVSHDPADIFAIADRVGVLVKGKLVQVGKPEDLYDNPVSIQVASEINELEGKVTNEGVVIGSLRFPVSVSSDRAIIGIRPEDVKLSKDVIKDDSWILVGKGKVKVIGYQGGLFRITITEEEIFTYSDHPIHSGEEVL
41vplA 0.32 0.26 0.72 3.68Download ------GAVVVKDLRKRIGKKEILKGISFEIEEGEIFGLIGPNGAGKTTTLRIISTLIKPSSGIVTVFGKNVVEEPHEVRKLISYLPEEAGAYRNMQGIEYLRFVAGFYASSSSEIEEMVERATEIAGLGEKIKDRVSTYSKGMVRKLLIARALMVNPRLAILDEPTSGLDVLNAREVRKILKQASQEGLTILVSSHNMLEVEFLCDRIALIHNGTIVETGTVEELKERYKAQNIEEVFEEVVK--------------------------------------------------------------------------------------
51vplA 0.34 0.26 0.72 4.28Download ------GAVVVKDLRKRIGKKEILKGISFEIEEGEIFGLIGPNGAGKTTTLRIISTLIKPSSGIVTVFGKNVVEEPHEVRKLISYLPEEAGAYRNMQGIEYLRFVAGFYASSSSEIEEMVERATEIAGLGEKIKDRVSTYSKGMVRKLLIARALMVNPRLAILDEPTSGLDVLNAREVRKILKQASQEGLTILVSSHNMLEVEFLCDRIALIHNGTIVETGTVEELKERYKAQ--------------------------------------------------------------------NIEEVFEEVVK------------------
61g29A 0.24 0.27 0.92 2.93Download M-----AGVRLVDVWKVFGEVTAVREMSLEVKDGEFMILLGPSGCGKTTTLRMIAGLEEPSRGQIYIGDKLVADPEKGIDRDIAMVFQSYALYPHMTVYDNIAFPLKLRKVPRQEIDQRVREVAELLGLTELLNRKPRELSGGQRQRVALGRAIVRKPQVFLMDEPLSNLDAKLRVRMRAELKKLQRQGVTTIYVTHDQVEAMTMGDRIAVMNRGVLQQVGSPDEVYDKPPMNFLDAIVTEDG-----------------FVDFGEFRLK----LLPDQFEVLGELGYVGREVIYDAMFAQVRVTFVGSFRSESRVREGVEDKTTGKAIF
71vplA 0.33 0.26 0.72 3.82Download ------GAVVVKDLRKRIGKKEILKGISFEIEEGEIFGLIGPNGAGKTTTLRIISTLIKPSSGIVTVFGKNVVEEPHEVRKLISYLPEEAGAYRNMQGIEYLRFVAGFYASSSSEIEEMVERATEIAGLGEKIKDRVSTYSKGMVRKLLIARALMVNPRLAILDEPTSGLDVLNAREVRKILKQASQEGLTILVSSHNMLEVEFLCDRIALIHNGTIVETGTVEELKERYKAQ----------NIEEVFEEVVK----------------------------------------------------------------------------
81g29A 0.22 0.27 0.97 4.73Download -----MAGVRLVDVWKVFGEVTAVREMSLEVKDGEFMILLGPSGCGKTTTLRMIAGLEEPSRGQIYIGDKLVADPEKGIDRDIAMVFQSYALYPHMTVYDNIAFPLKLRKVPRQEIDQRVREVAELLGLTELLNRKPRELSGGQRQRVALGRAIVRKPQVFLMDEPLSNLDAKLRVRMRAELKKLQRQGVTTIYVTHDQVEAMTMGDRIAVMNRGVLQQVGSPDEVYDKPANTFVAGFIGSPP-----MNFLDAIVTEDGFVDFGEFRLKLLPDQFEVLGELGYVGREVIFGIRPEDLYDAMFAQVRVPGENLVRAVVEIVENLGSERIV
92oljA 0.25 0.21 0.72 2.16Download -----LQMIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHER----------TKAFLSK---VF--------------------------------------------------------------------------
102oljA 0.27 0.21 0.68 2.28Download -----LQMIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFD------------------------------------------------------------------------------------------------------
(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: FUGUE   4: SP3   5: PROSPECT2   6: PROSPECT2   7: PPA-I   8: FUGUE   9: HHSEARCH I   10: HHSEARCH II   

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

RankTM-scoreRMSDaIDENaCov.PDB
Hit
10.7085 4.23 0.20 0.872it1A
Model1
 
20.7067 1.42 0.32 0.721vplA
Model1
 
30.7023 4.23 0.20 0.871q12A
Model1
 
40.7002 4.12 0.21 0.861oxsC
Model1
 
50.6969 4.02 0.21 0.852yyzA
Model1
 
60.6919 4.34 0.22 0.871z47A
Model1
 
70.6825 4.42 0.22 0.851vciA
Model1
 
80.6798 4.42 0.22 0.851v43A
Model1
 
90.6653 2.99 0.25 0.753dhwC
Model1
 
100.6439 2.48 0.23 0.712yz2A
Model1
 
Structural alignment using TM-align
 
-----MVEIKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTE-LPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKPKYKFVGGFLGNPPMN-------FVEAKVED-----------GKLVITEKSKLPIPKQYVEIVKETGITEVII------GFRPH--DAEIVKGEGEGIVGEVYSF-EPLGR-EQIVTVS--VNDSIVKVFAPEGEHF------SFGEKVTIKVKEELLVLFDKKTEKALEFSKL 
MNTQPTRAIETSGLVKVYNGTRAVDGLDLNVPAGLVYGILGPNGAGKSTTIRMLATLLRPDGGTARVFGHDVTSEPDTVRRRISVTGQYASVDEGLTGTENLVMMGRLQGYSWARARERAAELIDGFGLGDARDRLLKTYSGGMRRRLDIAASIVVTPDLLFLDEPTTGLD-PRSRNQVWDIVRALVDAGTTVLLTTQYLDEADQLADRIAVIDHGRVIAEGTTGELKSSLG----SNVLRLRL--HDAQSRAEA------ERLLSAELGVTIHRDSD-PTALSAR--IDDPRQG--------MRALAELS---RTHLE--------VRS-FSLGQSSLD-EVFLALT-GHPADDRS----------TEEAAEEEKV-A------------------------- 
 
------GAVVVKDLRKRIGKKEILKGISFEIEEGEIFGLIGPNGAGKTTTLRIISTLIKPSSGIVTVFGKNVVEEPHEVRKLISYLPEEAGAYRNMQGIEYLRFVAGFYASSSSEIEEMVERATEIAGLGEKIKDRVSTYSKGMVRKLLIARALMVNPRLAILDEPTSGLDVLNAREVRKILKQASQEGLTILVSSHNMLEVEFLCDRIALIHNGTIVETGTVEELKERYKAQNIEEVF--------E--EVV------------------------------------------------------------K---------------- 
MNTQPTRAIETSGLVKVYNGTRAVDGLDLNVPAGLVYGILGPNGAGKSTTIRMLATLLRPDGGTARVFGHDVTSEPDTVRRRISVTGQYASVDEGLTGTENLVMMGRLQGYSWARARERAAELIDGFGLGDARDRLLKTYSGGMRRRLDIAASIVVTPDLLFLDEPTTGLDPRSRNQVWDIVRALVDAGTTVLLTTQYLDEADQLADRIAVIDHGRVIAEGTTGELKSSLGSNVLRLRLHDAQSRAEAERLLSAELGVTIHRDSDPTALSARIDDPRQGMRALAELSRTHLEVRSFSLGQSSLDEVFLALTGHPADDRSTEEAAEEEKVA 
 
--------VQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMND-TPPAERGVGMVFQSYALYPHLSVAENMSFGLK-LA-GAK-KEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPADRFVAG-FIGSPKM--N----FLPVKVTATA--------IDQVQVELPMPNRQQVWLP--VESRDVQVGANMSLG------IRPEHLLPSDI-ADVILEGEVQVVEQLGNETQIHIQIP---SIRQNLVYRQNDVVLV-----EEGATFAIGLPPERCHLFREDGTACRRLHKEPG 
MNTQPTRAIETSGLVKVYNGTRAVDGLDLNVPAGLVYGILGPNGAGKSTTIRMLATLLRPDGGTARVFGHDVTSEPDTVRRRISVTGQYASVDEGLTGTENLVMMGRLQGYSWARARERAAELIDGFG---LGDARDRLLKTYSGGMRRRLDIAASIVVTPDLLFLDEPTTGLDPRSRNQVWDIVRALVDA-GTTVLLTTQYLDEADQLADRIAVIDHGRVIAEGTTGELKSSLG----S-NVLRLRL-HDAQSRAEA--------ERLLSAELGVTIHRDSDPT-ALS----ARIDDPRQG--------MRALAEL---S------RTHLEVRSFSLGQSSLDEVFLALT---GHPADDRS-----------TEEAAEEEKVA--------------------------- 
 
-----MVRIIVKNVSKVFKKGKVVALDNVNINIENGERFGILGPSGAGKTTFMRIIAGLDVPSTGELYFDDRLVASNGKLIVPPEDRKIGMVFQTWALYPNLTAFENIAFPLTNMKMSKEEIRKRVEEVAKILDIHHVLNHFPRELSGGQQQRVALARALVKDPSLLLLDEPFSNLDARMRDSARALVKEVQSRLGVTLLVVSHDPADIFAIADRVGVLVKGKLVQVGKPEDLYDNPVSIQVASLIGEIN--E----LEGK----------VTNEGVVIGSLRFPVSVSSDRAIIGIRPEDVKLSKDVIKD------------DSWILVGKGKVKVIGYQGGLFRI-TITPLDS-----EEEIFTYSDHPI------HSGEEVLVYVRKDKIKVFEK 
MNTQPTRAIETSGLVKVYN--GTRAVDGLDLNVPAGLVYGILGPNGAGKSTTIRMLATLLRPDGGTARVFGHDVTS----EPDTVRRRISVTGQYASVDEGLTGTENLVMMGRLQGYSWARARERAAELIDGFGLGDARDRLLKTYSGGMRRRLDIAASIVVTPDLLFLDEPTTGLDPRSRNQVWDIVRALVDA-GTTVLLTTQYLDEADQLADRIAVIDHGRVIAEGTTGELKSSLG----SNVLRLRLHDAQSRAEA--ERLLSAELGVTIH-RDSDP-TA--LSARID--------------------DPRQGMRALAELSRTHLEVRS-FSLGQSSLDEVFLALT-----GHPADDRS---------TEEAAEEEKV-A-------------- 
 
------PSIRVVNLKKYFGKVKAVDGVSFEVKDGEFVALLGPSGCGKTTTLLMLAGIYKPTSGEIYFDDVLVNDIPP-KYREVGMVFQNYALYPHMTVFENIAFPLRA-RRISKDEVEKRVVEIARKLLIDNLLDRKPTQLSGGQQQRVALARALVKQPKVLLFDEPLSNLDANLRMIMRAEIKHLQQELGITSVYVTHDQAEAMTMASRIAVFNQGKLVQYGTPDEVYDSPKNMFVASFIGNPPTN-------FLRDFSVSVENKQ------------TILKRDDVIIKLPEP-------VDVKLK-EVVV--GIRPEHCRISRER-VENSIPGVVYVVEPLGRDIIV-NVKTE----KGEIIKVFGDTGKAPQ------PGENVFLVPDLRKIHLFNPETEETIL 
MNTQPTRAIETSGLVKVYNGTRAVDGLDLNVPAGLVYGILGPNGAGKSTTIRMLATLLRPDGGTARVFGHDVTSEPDTVRRRISVTGQYASVDEGLTGTENLVMMGRLQGYSW-ARARERAAELIDGFGLGDARDRLLKTYSGGMRRRLDIAASIVVTPDLLFLDEPTTGLD-PRSRNQVWDIVRALVDAGTTVLLTTQYLDEADQLADRIAVIDHGRVIAEGTTGELKSSLG----SNVLRLRL--HDAQSRAE------------AERLLSAELGVTIHRDSDPTA------LSARIDDPRQGM-RAL--AELS-----------RTHLEVRSFSLGQSSLD-EVFLALT---GHPADDRS------------TEEAAEEEKVA--------------------- 
 
---G-SMTIEFVGVEKIYPGGARSVRGVSFQIREGEMVGLLGPSGSGKTTILRLIAGLERPTKGDVWIGGKRVTD-LPPQKRNVGLVFQNYALFQHMTVYDNVSFGLREKRVPKDEMDARVRELLRFMRLESYANRFPHELSGGQQQRVALARALAPRPQVLLFDEPFAAIDTQIRRELRTFVRQVHDEMGVTSVFVTHDQEEALEVADRVLVLHEGNVEQFGTPEEVYEKPGTLFVAS-FIGESN--V---WTRA----------VQNGRIEVAGAALPVDPAV-SEGSEVAVVVRPK-----------DVELQPASEREAHAQVVRSAFKGSYSACWIRTKD-----GEVWEVHVPSADRHRWS----PGAWVHMNVTRWFIFPR 
MNTQPTRAIETSGLVKVYNGTR-AVDGLDLNVPAGLVYGILGPNGAGKSTTIRMLATLLRPDGGTARVFGHDVTSEPDTVRRRISVTGQYASVDEGLTGTENLVMMGRLQGYSWARARERAAELIDGFGLGDARDRLLKTYSGGMRRRLDIAASIVVTPDLLFLDEPTTGLD-PRSRNQVWDIVRALVDAGTTVLLTTQYLDEADQLADRIAVIDHGRVIAEGTTGELKSSLG----S-NVLRLRLHDAQSRAE--AERLLSAELGVTIHRDSDPTALSARIDDPRQG-----------MRALAELSRTHLEVR--------SFSLGQSSLDEVFLALT-----GHPADDRST-------------EEAAEEEKVA----------- 
 
VIK-----MVEVKLENLTKRFGNFTAVNKLNLTIKDGEFLVLLGPSGCGKTTTLRMIAGLEEPTEGRIYFGDRDVTY-LPPKDRNISMV-FQ-----HMTVYENIAFPL--KKFPKDEIDKRVRWAAELLQIEELLNRYPAQLSG-GQRQRVAVARAIVVEPDVLLMDEPLSNLDAKLRVAMRAEIKKLQQKLKVTTIYVTHDQVEAMTMGDRIAVMNRGQLLQIGSPTEVYLRPNSVFVATFIGAPE-------MN--ILE------VSVGDGYLEGRGFRIELPQM-----DLLKDYVGKTVLF--GIRPEHMTVEGVHMKRTARLIGKVDFVEALGTDTIL-HVKFG---DELVKVKLPGHIPI--------EPGREVKVIMDLDMIHVFDKDTEKAIV 
---MNTQPTRAIETSGLVKVYNGTRAVDGLDLNVPAGLVYGILGPNGAGKSTTIRMLATLLRPDGGTARVFGHDVTSEPDTVRRRISVTGQYASVDEGLTGTENLVMMGRLQGYSWARARERAAELIDGFGLGDARDRLLKTYS-GGMRRRLDIAASIVVTPDLLFLDEPTTGLD-PRSRNQVWDIVRALVDAGTTVLLTTQYLDEADQLADRIAVIDHGRVIAEGTTGELKSSLG----SNVLRLRLHDAQSRAEAERL--LSAELGVTIH---RDSDPTAL-----SARIDDPRQGMRA--L--AELS-------------RTHLEVRSFSLGQSSLDEVFLALT---GHPADDR----------STEEAAEEEKV-A---------------------- 
 
VIK-----MVEVKLENLTKRFGNFTAVNKLNLTIKDGEFLVLLGPSGCGKTTTLRMIAGLEEPTEGRIYFGDRDVTY-LP-PKDRNISMVFQ-----HMTVYENIAFPL--KKFPKDEIDKRVRWAAELLQIEELLNRYPAQLSG-GQRQRVAVARAIVVEPDVLLMDEPLSNLDAKLRVAMRAEIKKLQQKLKVTTIYVTHDQVEAMTMGDRIAVMNRGQLLQIGSPTEVYLRPNSVFVATFIGAPE-------MN--ILE------VSVGDGYLEGRGFRIELPQM------DLLKDYVGKTVL-FGIRPEHMTVEGVHMKRTARLIGKVDFVEALGTDTIL-HVKFGD----ELVKVKLPGHIPI--------EPGREVKVIMDLDMIHVFDKDTEKAIV 
---MNTQPTRAIETSGLVKVYNGTRAVDGLDLNVPAGLVYGILGPNGAGKSTTIRMLATLLRPDGGTARVFGHDVTSEPDTVRRRISVTGQYASVDEGLTGTENLVMMGRLQGYSWARARERAAELIDGFGLGDARDRLLKTYS-GGMRRRLDIAASIVVTPDLLFLDEPTTGLD-PRSRNQVWDIVRALVDAGTTVLLTTQYLDEADQLADRIAVIDHGRVIAEGTTGELKSSLG----SNVLRLRLHDAQSRAEAERL--LSAELGVTIH---RDSDPTA------LSARIDDPRQGMRA--L-AELS-------------RTHLEVRSFSLGQSSLDEVFLALT----GHPADDR----------STEEAAEEEKV-A---------------------- 
 
-------MIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSN-LSGGQKQRVAIARALASNPKVLLCDEATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVF-SHPK-TPLAQKFIQSTLHLDIPEDYQERLQA--------------------------EPFTDCVPMLRLEFTG----------------QSVD--APLLSETARRFNVN--NNIISAQMDYAGGVKF--------GIMLTEMHGTQQDTQAAIAWLQEHHVKVEV-LG---------YV 
MNTQPTRAIETSGLVKVYN----GTRAVDGLDLNVPAGLVYGILGPNGAGKSTTIRMLATLLRPDGGTARVFGHDVT-S---EPDTVRRRISVTGQYASVDEGLTGTENLVMMGRLQGYSWARARERAAELIDGFGL-GDARDRLLKTYSGGMRRRLDIAASIVVTPDLLFLDEPTTGLDPRSRNQVWDIVRALVDA-GTTVLLTTQYLDEADQLADRIAVIDHGRVIAEGTTGELKSSL--GSNVLRLR-------------------LHDAQSRAEAERLLSAELGVTIHRDSDPT-------------ALSARIDDPRQGMRALA---ELSRTH--L-------EVRSFSL-----------GQSSLDEVFLALT--------------------GHPADDRSTEEAAEEEKVA 
 
------MRIEVVNVSHIFHRGTPLEKKALENVSLVINEGECLLVAGNTGSGKSTLLQIVAGLIEPTSGDVLYDGERKK--GYEIRRNIGIAFQYPEDQFFAERVFDEVAFAVKNFYPDRD-PVPLVKKAMEFVGLDFDSFKDRVPFFLSGGEKRRVAIASVIVHEPDILILDEPLVGLDREGKTDLLRIVEKWKTLGKTVILISHDIETVINHVDRVVVLEKGKKVFDGTRMEFLEKY-D--PRFF------------------------------------------------------------------T-SKMLVMRRLVLKGEDPFSMSDDELLERVCNS----------------- 
MNTQPTRAIETSGLVKVYN-----GTRAVDGLDLNVPAGLVYGILGPNGAGKSTTIRMLATLLRPDGGTARVFGHDVTSEPDTVRRRISVTGQYAS-VDEGLTGTENLVMMGRLQGYSWARARERAAELIDGFGLG--DARDRLLKTYSGGMRRRLDIAASIVVTPDLLFLDEPTTGLDPRSRNQVWDIVRALVDAGTTVLLTTQYLDEADQLADRIAVIDHGRVIAEGTTGELKSSLGSNVLRLRLHDAQSRAEAERLLSAELGVTIHRDSDPTALSARIDDPRQGMRALAELSRTHLEVRSFSLGQSSLDEVFLALT-GH-----------------------PADDRSTEEAAEEEKVA 
 
(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)RMSDa is the RMSD between residues that are structurally aligned by TM-align.
(d)IDENa 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

RankTM-scoreRMSDaIDENaCov.EC-ScorePDB
Hit		EC No.
10.6954 4.40 0.20 0.870.94742awoB 3.6.3.19
 
20.5887 2.91 0.22 0.670.82762qi9D 3.6.3.33
 
30.5844 3.18 0.19 0.680.77271mv5A 3.6.3.44
 
40.5813 4.75 0.18 0.750.75542awnA 3.6.3.19
 
50.4774 6.48 0.07 0.790.45381ps9A 1.3.1.34
 
(a)Ranking is based on EC-score, which is a confidence score for the Enzyme Classification (EC) Number prediction.
(b)RMSDa is the RMSD between models and the PDB structure in the structurally aligned regions by TM-align.
(c)IDENa 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, IDENa,RMSDa 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

RankTMscoreRMSDaIDENaCov.PDB
Hit		Fh-ScoreAssociated GO Terms
10.7067 1.42 0.32 0.721vplA 1.09 GO:0005524 GO:0016887 GO:0030554
20.6187 2.67 0.29 0.691ji0A 0.92 GO:0005524 GO:0016887 GO:0030554
30.6104 2.14 0.30 0.662pclA 0.92 GO:0005524 GO:0016887 GO:0030554 GO:0042954 GO:0006810 GO:0042953 GO:0005623 GO:0005886
40.6825 4.42 0.22 0.851vciA 0.89 GO:0005524 GO:0016820 GO:0016887 GO:0030554 GO:0006810 GO:0005623 GO:0016020 GO:0043190 GO:0044425
50.7195 4.08 0.21 0.872it1B 0.88 GO:0005524 GO:0016820 GO:0016887 GO:0030554 GO:0006810 GO:0005623 GO:0016020 GO:0043190 GO:0044425
60.7021 4.09 0.21 0.861oxxK 0.88 GO:0005524 GO:0016820 GO:0016887 GO:0030554 GO:0006810 GO:0005623 GO:0016020 GO:0043190 GO:0044425
70.6796 4.18 0.22 0.841z47B 0.88 GO:0005524 GO:0016820 GO:0016887 GO:0030554 GO:0006810 GO:0005623 GO:0016020 GO:0043190 GO:0044425
80.6141 3.03 0.27 0.702onkG 0.88 GO:0005524 GO:0016887 GO:0030151 GO:0030554 GO:0043169 GO:0006810 GO:0005623 GO:0005886
90.6287 2.78 0.26 0.711b0uA 0.87 GO:0005524 GO:0016887 GO:0030554 GO:0006865 GO:0015837 GO:0005623 GO:0005886
100.6969 4.02 0.21 0.852yyzA 0.87 GO:0005524 GO:0016820 GO:0016887 GO:0030554 GO:0006810 GO:0005623 GO:0016020 GO:0043190 GO:0044425

Consensus Prediction of Gene Ontology terms 
Molecular Function  Biological Process Cellular Location
GO termGO-Score  GO termGO-Score GO termGO-Score
GO:00055240.906  GO:00068100.874  GO:00160200.870
GO:00168870.906  GO:00158370.173  GO:00056230.870
GO:00305540.906  GO:00068650.173  GO:00444250.604
GO:00052150.531  GO:00469420.173  GO:00431900.522
GO:00168200.439  GO:00158490.173  GO:00058860.266
GO:00228570.439  GO:00451840.092  GO:00432290.082
GO:00085650.092  GO:00081040.092  GO:00421750.082
GO:00228920.092  GO:00330360.092  GO:00057830.082
GO:00429540.092  GO:00429530.092  GO:00310900.082
GO:00431670.088  GO:00150310.092  GO:00444460.082

(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, IDENa, RMSDa 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)RMSDa is the RMSD between models and the PDB structure in the structurally aligned regions by TM-align.
(c)IDENa 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:
LYS:16  ALA:23  VAL:24  GLY:38  ILE:39  LEU:40  GLY:41  
PRO:42  GLY:44  ALA:45  GLY:46  LYS:47  SER:48  THR:49  
THR:50  ILE:51  ARG:52  MET:53  LEU:54  PHE:162  ASP:164  
LEU:194  THR:195  THR:196  GLN:197  ALA:210  ILE:212  GLY:215  
Identified analogs with similar binding site:

RankPDB
Hit		TM-scoreRMSDaIDENaCov.BS-scoreDownload
Complex		Binding site residues on the predicted model
11ps9A0.3742 6.15 0.09 0.59 0.60Download16,23,24,38,39,40,41,42,44,45,46,47,48,49,50,51,52,53,54,162,164,194,195,196,197,210,212,215
22gk6A0.4171 5.37 0.08 0.59 0.59Download22,23,24,25,39,40,41,42,43,44,45,46,47,48,195,212,214,215
31yqtA0.5167 2.74 0.28 0.57 0.54Download18,19,23,42,43,44,45,46,47,48,49
41oyyA0.3434 3.92 0.13 0.43 0.48Download16,18,21,22,23,24,42,43,44,45,46,47,48,49,88,165,197
52hydA0.6120 2.77 0.24 0.68 0.47Download18,23,42,43,44,45,46,47,48,88
63b60A0.6101 2.85 0.24 0.68 0.46Download18,19,21,23,42,43,44,45,46,47,48,49,88,165,197
73bk7A0.5724 3.32 0.25 0.66 0.45Download18,23,42,43,44,45,46,47,48,49
83fe2A0.3550 4.41 0.15 0.46 0.44Download16,17,18,21,22,23,24,42,43,44,45,46,47,48,49,88,197
91yqtA0.5651 3.27 0.26 0.65 0.41Download18,19,21,23,42,43,44,45,46,47,48,49
101xp8A0.3717 3.69 0.12 0.45 0.40Download18,21,23,42,43,44,45,46,47,48,49,88,197

(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, IDENa 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)RMSDa the RMSD between residues that are structurally aligned by TM-align.
(d)IDENa 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).