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I-TASSER results for job id S34190

  Submitted Sequence

>gg
MPKRKADGDSKVEKSKAKDEPQRQSARLSAKPAAPKPEPKPKKAAPPKKADKAPKGKKGK
ADSGKDSSNAAENGEAKSDQAQKAETTGDTK

  Predicted Secondary Structure

Sequence                  20                  40                  60                  80
                   |                   |                   |                   |            
MPKRKADGDSKVEKSKAKDEPQRQSARLSAKPAAPKPEPKPKKAAPPKKADKAPKGKKGKADSGKDSSNAAENGEAKSDQAQKAETTGDTK
PredictionCCCCCCCCCCCCCCCCCCCCCCCCCSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHCCCCCCC
Conf.Score9875567665566221346765545331368899789898888777555655788876564467767684402564218777631455689

  Top 5 Models predicted by I-TASSER

Download Model 1 Download Model 2 Download Model 3 Download Model 4 Download Model 5
C-score=-3.29
 C-score=-4.01
 C-score=-3.99
 C-score=-4.73
 C-score=-4.95
 
Estimated accuracy of Model1: 0.35±0.12 (TM-score)    11.1±4.6Å (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
                   |                   |                   |                   |           
Sec.Str
Seq		CCCCCCCCCCCCCCCCCCCCCCCCCSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHCCCCCCC
MPKRKADGDSKVEKSKAKDEPQRQSARLSAKPAAPKPEPKPKKAAPPKKADKAPKGKKGKADSGKDSSNAAENGEAKSDQAQKAETTGDTK
11a2iA 0.18 0.32 0.98 0.93Download APKAPADGLMEATKQPVV--NHSTHKSVKCGDCHHPVNGKEDYRKCGTAGCHDSMDKKDKSAKGYYHVMHDKNTKFKSCHVEVAGADAAKK
22o8sA 0.08 0.17 0.26 0.62Download ----------------------------------PPSPQPVSHK--------------------------------VTSTYRVSKQPGSV-
33bogA 0.10 0.13 0.76 0.75Download ADGAHGVGCTAGAAGSVPGCDGGHGGNGGNGNPGCAGGVGGAGGASGGTGVGGRGGKGGKGADGAPGA-P---------------------
42jl6J 0.18 0.18 1.00 0.94Download AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
51a2iA 0.16 0.32 1.00 1.14Download APKAPADGLKMEATKQPVVFNHSTHKSVKCGDCHHPVNGKEDYRKCGTAGCHDSMDKKDKSAKGYYHVMHDKNTKFKSCVGCHVEVAGADA
62e6iA 0.26 0.10 0.38 0.53Download QLEKLATGCAQY-------DP---TKNASKKPLPPTPEDNRR--PLW--------------------------------------------
71prtF 0.20 0.15 0.88 0.56Download LPTHLYK-NFTVQELALKLKGKNQEFCLTAFMSGR----------SLVRACLSDAGHEHDTWFDTMLGFAISAYALKSRIALTVETPGDLL
81eysA 0.20 0.21 0.05 0.70Download -PGLYK-------------------------------------------------------------------------------------
91np7A 0.08 0.17 0.99 0.49Download CHPEDLP-FSIQDLPDLFTKFRKDIEKKKISIRPCFFAPSQLLPSPNIKLELTAPPPEFFPQINFDHRSVLAFGETAGLARLQDYFWHGDR
102a3pA 0.16 0.29 0.97 0.90Download -AEAPADGLMENTKMPVI--NHSSHSSYQCADCHHPVDGKENLAKCATAGDVFDKKDKSVHSDRKATTVATEAAGSDKDLKKELTGCKKSK
(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: SP3   4: PROSPECT2   5: PPA-I   6: HHSEARCH I   7: FUGUE   8: HHSEARCH II   9: SPARKS   10: MUSTER   

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

RankTM-scoreRMSDaIDENaCov.PDB
Hit
10.4745 4.44 0.03 0.891eu1A
Model1
 
20.4696 4.12 0.09 0.872c5wB
Model1
 
30.4674 4.44 0.05 0.882f3oA
Model1
 
40.4670 4.17 0.05 0.872gwgA
Model1
 
50.4666 4.15 0.04 0.841ogyA
Model1
 
60.4664 4.07 0.03 0.862dgdA
Model1
 
70.4645 4.63 0.04 0.862i09A
Model1
 
80.4640 3.91 0.03 0.812g18A
Model1
 
90.4638 4.53 0.05 0.881zowA
Model1
 
100.4631 4.45 0.03 0.881jnrA
Model1
 
Structural alignment using TM-align
 
ANGEVMSGCHWGVFKARVENGRAVAFEPWDKDPAPSHQLPGVLDSIYSPTRIKYPMVRREFLEKGVNADRSTRGNGDFVRVTWDEALDLVARELKRVQESYGPTGTFGGSYGWKSPGRLHNCQVLMRRALNLAGGFVNSSGDYSTAAAQIIMPHVMGTLEVYEQQTAWPVVVENTDLMVFWAADPMKTNEIGWVIPDHGAYAGMKALKEKGTRVIINPVRTETADYFGADVVSPRPQTDVALMLGMA-HTL--YSE--DLHDKDFLENCTT-GFDLFAAYLTGESDGTPKTAEWAAEICGLPAEQIRELARSF---------VAGRT-MLAAGWSIQRMHHGEQAHWM-LVTLASMIGQIGLPGGGFGLSYHYSNGGSPTSDGPALGGISDGGEGGATSIPCARVVDMLLNPGGEFQFNGATATYPDVKLAYWAGGNPFAHHQDRNRMLKAWEKLETFIVQDFQWTATARHADIVLPATTSYERNDIESVGDYSNRAILAMKKVVDPLYEARSDYDIFAALAERLGKGAEFTEGRDEMGWISSFYEAAVKQAEFKNVAMPSFEDFWSEGIVEFPITEGANFVRYADFREDPLFNPLGTPSGLIE-------IY--SKNIEKMGYDDCPAHPTWMEPA---- 
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MP--KRK--ADG-DSKVEK-SKAKDEPQRQSAR-L------S-A--KP--AAPKP--EPKPK----KAAPPKKADKAPKGKKGKA----------------DS--GK--DS-S-----NAAE-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NGEAKSDQ-AQK--A------ETT---------GDTK 
 
SNYPAYMDNYL-------KEVINQVEEETGYNLLTTGMDVYTNVDQEAQKHLWDIYNTDEYVAYPDDELQVASTIVDVSNGKVIAQLGARHQSSNVSFGINQAVETNRDWGSTMKPITDYAPALEYGVYESTATIVHDEPYNYPGTNTPVYNWDRGYFGNITLQYALQQSRNVPAVETLNKVGLNRAKTFLNGLGIDYPSIHYSNAISSNTTESDKKYGASSEKMAAAYA--------AFANG-G--TYYKPMYIHKVVFSDGSEKEFSNVGTRAMKETTAYMMTDMMKTVLTYGTGRNAYLAWLP---QAGKTGTSNYTDEEIENHIKTSQFVAPDELFAGYTRKYSMAVWTGYSNRLTPLVGNGLTVAAKVYRSMMTYLSEGSNPEDWNIPEGLYRNGEFVFKN 
-----------MPKRKADGD--SK--V---------------E-------------------------------------KSK-AKDE-----------PQRQSARLSAKPAAPKPEP------------------------------------------------------------------------K----PKKA---------------APP-------------KKADKAPKG-KKGKADSGKDSS------------------------------------------------------NAAENGEA-------------------------KS---------DQ-----------------AQ-KAETTGDT-K------------------------ 
 
DRIEKLIKKVSKPARLSVERCRLYTESMKQTEGEPMIIRQAKALKHVLENIPIQILDSELIVGTMLPNPPGAIIFPEGVGLRIINELDSLPNRETNRLMVDEEDAKVLREEIAPYWQRKTIEAFAFPLMPDIMQILYTGSVFVLTEIAGISHVAVNYPYLLRRGFRWFLEESERRIRALEESGVYEGEKYSFYQAAKIVSEAVINYGLRYSKLAEELAESEDGERREELLKIAEICRKVPAEKPETFWEAVQFVWLVQSALHQENYEQAISMGRIDQYLYPFFKKDIGEGRINRELAFDILANLWIKTNEIV-PAFDSLLEQ-YFSGQATNQAVTIGGCDIYGNDATNELTYLMLEVTDRLRLRQP--NV-HVRINKGSPESFLKRLAEAISSGCNNLALFFDDAAVKALKNAEVDDRDALNYTTDGCVEIAPFGNSF-TSSDAALINVAKALEYALNEGVDLQFGYEFGAKTEKPKFLEDLLEKLREQVSHIVKLVVRGSNVLSYANAEVKPTPLLSLCVEDCFEKGVDVSRGGARYNFTGIQAVGIADVGDSLVAIEGALNAGYSMDDIVEACRKNFVGYEKLHKLLLQSPKYGNDDDAADKYTKMVLEWYCEEVNRHRNFRGGKFAAGCYPMTTNVGFGFFTSALPSGRKSGEPLNPGVSPSTGMDREGVTAVINSASKLSYENLPNGASLTINLSSDVLGEKGDAVIEALIKSSMELGVMHVQ---FN--ILKEDLLRKAQQEPEKYRWLLVRVAGWSAYFVELSRPVQEEVIRRISCRI 
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MPKR---------------------------KA--DG-D-SK--------VEKSKAK---------------------------------DEPQRQSARLSAKPA-----------------------APKPEP--K---------------------PKKA--APPKKADKAPK-------------------------------------------------------------------------------------------------GKKGK------------------------------------------------------------A-------------------DSGKDSS-N---------------------AA-E----------------N-------------G----------------------EA-------KSDQAQKAETTGD--------------------------------------T--K---- 
 
IIDIHGHYTTAPKALEDWRNRQIAGIKDPSVPKVSELKISDDELQASIIENQLKKQERGS-DLTVFSPRAGDFNVSSTWAAICNELCYRVSQLFPDN--FI-GAALPQSPGVDPKTCIPELEKCVKEYGFVAINLNPDPSGGHWTSPPLTDRIWYPIYEKVELEIPAIHVSTGAHYLNADTTAFQCVAGDLFKDFPELKFVIPHGGGAVPYHWGRFRGLAQEKKPLLEDHVLNNIFFDTCVYHQPGIDLLNTVIPVDNVLFASEIGAVRGIDPRTGFYYDDTKRYIEASTILTPEEKQ-QIY-----EGNARRVYPRL-DAALKAKGKLEH- 
----MPKRK--------------------------------------A--DG-DS-KVEKSKA------------------------------KDEPQRQSARLS--------------------------AK---------------------------------P------------------------------AAP---------------------------------KPEPKPK-----------------------K--AAPP-------K-KA--DK-A-P--KGKKGKADSGKDSSNAAEN-GEAKS-DQAQKAETT-GD-TK 
 
----------MASAATAFMRTFGMDEPMGCYDDFEAADAFVLWGSNMAEMHPILWSRLTDRRLSHEHVRVAVLSTFTHRSSDLSDTPIIFRPGTDRAILNYIAHHIISTGRVNRDFVDRHTNFALGA--TDIGYGLRPEHQLQLAAKGAA-------------DA-GAMT----------PTDFETFAALVSEYTLEKAAEISGVEPALLEELAELYADPDRKWMSLWTMGFNQHVRGVWANHMVYNLHLLTGKISEPGNSPFSLRWRYREGFDPYVKPGEGLRFYGKPDGRAVILGVPYEPPAESPDEEFGFWLVTGRVLEHWHSGSMTLRWPELYKAFPGAVCFMHPEDARSRGLNRGSEVRVISRRGEIRTRLETRGRNRMPRGVVFVPWFDASQLINKVTLDANDPISRQTDFKKCAVKIE 
MPKRKADGDSKV--EK--------SKAKDEP--Q-------RQSA---------------------------RL---------------S----AKPA-A---------------------------PKPEPKPK---------------KAAPPKKADKAPKG-KKGKADSGKDSSNAAEN----G--EA-------------------------------------------------K--SDQAQKAETTG---------------------------DT--------K------------------------------------------------------------------------------------------------------------------------------------- 
 
PGGRGRIGVI----LPANN-AGEYDLWKAPEGVSIHSTRKPTKGCEPENVEEFEKELKYSYSLLAEVSDIIIYGR-TYGTHKHAHVIKRVIKDVVIPEESVYELLKKLNVRKLWIGTPYIKERTLEEVEWWRNKGFEIVGYDGLGKIRGIDISNTPIFTIYRLVKRHLNEVLKAD----AVYIACTALSTYEAVQYLHEDLDPVVSEN--AAA-WEALNKLKIKAKLPGF 
----------MPKRKADGDSKVEKSKA-------KDEPQ--------------------------------RQSARL--S-----------------AK-PA--A-----PKPEPKPKK--------------------------AAP-PK-KADKAPK-G--------------KKGKADSG----KDSSN-AA--E----N-G---EAKSDQAQKAETTGDTK----- 
 
STFNRIHLVVLDSVGIGAAPDANNFSNAGVPDGASDTLGHISKTVGLNVPNMAKIGLGNIPRDTPLKTVPAENHPTGYVTKLEEVSLGKDTMTGHWEIMGLNISPFAPTVLNKLADAGVSTY--AVGKINDIFNGSGITNDMGHNKSNSHGVDTLIKTMGLSAFTKGFSFTNLVDFDALYGHRRNAHGYRDCLHEFDERLPEIIAAMKVDDLLLITA-------DHGNDPTYAGTDHTREYVPLLAYSPSFTGNGVLPV----------------------------GHYADI-SATIADNFGVDTAMIGESFLDKLI 
---------MPK--------------------------------------------------------------------------------------------------------------RKADGDS-KVEKSKAKDEPQ--------------------------RQSA------------------------------R----------LSAKPAAPKPEPKPKKA-----------------------------APPKKADKAPKGKKGKADSGKDSSNAAENGEAKSDQAQKAETTGDTK------------ 
 
ISLTSIPSLREQQ----HPLIRQLADCIEEVWHQHLDLSPYHLPAELGYVEGRLEGEKLTIENRCYQTPQFRKMHLELAKVGNMLDILHCVMFPRPEYDLPMFGCDLVGGRGQISAAIADLSPVHLDRTLPESYNSALTSLNTLNFSQPREL-PEWGNIFSDFCIFVRPSSPEEEAMFLGRVREFLQVHCQGAIAASPVSAEQKQQ-ILAG--QHNYC--------SKQQQN-DKTRRVLEKAFGVDWAENYMTTVLFDLPE 
-------------MPKRKADG-DSK--VE---------------------------------------------KSKAKD-----EPQ------------------RQS----ARLS--------------------------------AKPAAPKPEPKP--KK------------A-APPKK-AD-KA--P-------------KG---KKGKADSGKDSSNAAEN-GEAKSDQAQKAETTGD-TK-------------- 
 
MNVGIKGFGAYA--PEKIIDNAYFEQFLDTSDEWISKMTGI---KE--RHW-ADDDQDTSDLAYEASVKAIADAGIQPEDIDMIIVATATGDMPFPTVANMLQERLGTGKVASMDQLAACSGFMYSMITAKQYVQSGDYHNILVVGADKLSKITDLTDRSTAVLFGDGAGAVIIGEVSEGRGIISYEMGSDGTGGKHLYLDKDTGKLKMNGREVFKFAVRIMGDASTRVVEKANLTSDDIDLFIP-HQA-NIRIMESARERLGISKDKMSVSVNKYGNTS-AASIPLSIDQELKNGKLKDDDTIVLVGFGGGLTWGAMTIKWG 
------------MPKRKADGD--S-------K--VE--KSKAKDEPQRQSARL-----S--AK--PA------------------AP----------------------------KPEPK---------------------------P-K-KAAPP-KKAD-----------------------------------------------K-A--PK--GKKGK--A--------------------DSGKDSS-NA-------------AE----------NGEAKSDQAQKAETTGDT---K--------------------- 
 
VYYPKKYELYKADEVPTEVVETDILIIGGGFSGCGAAYEAAYWAKLGGLKVTLVEKAAVERSGAVAQGLSAINTYIDLTGRSERQNTLEDYVRYVTLDMMGLAREDLVADYARHVDGTVHLFEKWGLPIWKTPDGKYVREGQWQIMIHGESYKPIIAEAAKMAVGEENIYERVFIFELLKDNNDPNAVAGAVGFSVREPKFYVFKAKAVILATGGATLLFRPRSTGEAAGRTWYAIFDTGSGYYMGLKAGAMLTQFEHRFIPFRFKDGYG--PVGAWFLFFKCKAKNAYGEEYIKTRAAELEKYKPYGAA-QPIPTPLRNHQVMLEIMDGNQPIYMHTEEALAELAGGDKKKLKHIYEEAFEDFLDMTVSQALLWACQNIDPQEQPSEAAPAEPYIMG----SHSGEAGFWVCGPEDLMPEEYAKLFPLKYNRMTTVKGLFAIGDCAGANPHKF---SSGSFTEGRIAAKAAVRFILEQKPNPEIDDAVVEELKKKAYAPMERFMQYKDLSTADDVNPEYILPWQGLVRLQKIMDEYAAGIATIYKTNEKMLQRALELLAFLKEDLEKLAARDLHELMRAWELVHRVWTAEAHVRHMLFRKETRWPGYYYRTDYPELNDEEWKCFVCSKYDAEKDEWTFEKVPYVQVIEWSF- 
---------------------------------------------------------------------------------M-PKRKAD-G-DS-K-VE--KSKAKDEPQRQSARLSAKP-A----A---------------------P--KP---------------------------------------------------------------------------------------------------------------------EPKPK---KA------------------------------APPKKAD-KA------------------------------------------------------------------------PKGKK-GKADSGKDSSN----------------------------------AAE--------NGEAK--SDQAQKAETTGD-T---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------K 
 
(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.
10.4002 4.38 0.20 0.790.75553aahC 1.1.99.8
 
20.4094 4.66 0.13 0.790.59033ek1H 1.2.1.16
 
30.4080 4.39 0.12 0.800.57923e05H 2.1.1.132
 
40.3725 4.68 0.14 0.750.55691a8sA 1.11.1.10
 
50.4042 4.85 0.11 0.850.55371bpmA 3.4.11.1
 
(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
10.4526 4.42 0.20 0.872z47B 0.67 GO:0005506 GO:0009055 GO:0020037 GO:0043169 GO:0006810 GO:0009061 GO:0009987 GO:0022900 GO:0005623 GO:0042597
20.4424 4.60 0.18 0.872cymA 0.61 GO:0005506 GO:0009055 GO:0020037 GO:0043169 GO:0006810 GO:0009061 GO:0009987 GO:0022900 GO:0005623 GO:0042597
30.4533 4.33 0.14 0.852a3pA 0.50 GO:0005506 GO:0009055 GO:0020037 GO:0043169
40.3488 5.00 0.17 0.742zafD 0.49 GO:0003995 GO:0009055 GO:0050660 GO:0050662 GO:0008152
50.4101 4.45 0.13 0.821duwA 0.46 GO:0005506 GO:0009055 GO:0020037 GO:0043169
60.3831 4.34 0.15 0.751tkkH 0.46 GO:0003824 GO:0008152
70.3029 4.33 0.21 0.562nvoA 0.46 GO:0003723 GO:0005622 GO:0005623 GO:0005737 GO:0030529
80.3637 4.06 0.17 0.651mg6A 0.45 GO:0004091 GO:0004623 GO:0005509 GO:0043169 GO:0006644 GO:0009056 GO:0009405 GO:0009987 GO:0016042 GO:0044237 GO:0005576
90.3086 5.08 0.17 0.681x57A 0.44 GO:0003700 GO:0003713 GO:0004402 GO:0005516 GO:0008134 GO:0008168 GO:0016407 GO:0016563 GO:0043565 GO:0006139 GO:0006629 GO:0007275 GO:0009058 GO:0009889 GO:0009987 GO:0030154 GO:0043283 GO:0044093 GO:0044249 GO:0044260 GO:0050794 GO:0060255 GO:0005622 GO:0005623 GO:0005634 GO:0005669 GO:0005737 GO:0016591 GO:0031974 GO:0043229 GO:0043234 GO:0044428
100.4182 4.50 0.12 0.811khdD 0.44 GO:0004048 GO:0000162 GO:0006725 GO:0008652 GO:0009058 GO:0009073 GO:0009308 GO:0009309 GO:0009987 GO:0019438 GO:0042398 GO:0042401 GO:0042435 GO:0046219 GO:0046417

Consensus Prediction of Gene Ontology terms 
Molecular Function  Biological Process Cellular Location
GO termGO-Score  GO termGO-Score GO termGO-Score
GO:00054880.407  GO:00081520.489  GO:00056230.427
GO:00090550.273  GO:00442370.393  GO:00444640.427
GO:00431690.268  GO:00099870.393  GO:00057370.258
GO:00431670.268  GO:00442380.266  GO:00444240.258
GO:00468720.268  GO:00090580.177  GO:00056220.258
GO:00038240.229  GO:00442490.177  GO:00425970.169
GO:00200370.223  GO:00065190.133  GO:00444220.127
GO:00469060.223  GO:00065200.133  GO:00432270.127
GO:00055060.223  GO:00442600.133  GO:00432290.127
GO:00469140.223  GO:00060820.133  GO:00444460.127

(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:
ARG:23  GLN:24  SER:25  ARG:27  ALA:76  LYS:77  SER:78  
ASP:79  
Identified analogs with similar binding site:

RankPDB
Hit		TM-scoreRMSDaIDENaCov.BS-scoreDownload
Complex		Binding site residues on the predicted model
11gyoA0.3850 4.49 0.10 0.80 0.35Download23,24,25,27,76,77,78,79
21qn0A0.4313 4.15 0.12 0.83 0.33Download30,32,36,37,38,39,40,41,61,62,63,72,73,74,75,76,77,78
31i7pA0.3795 4.57 0.09 0.75 0.32Download2,3,9,10,11,12,13,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,67,77,79,80,83
42a3mA0.4505 4.37 0.14 0.89 0.32Download12,13,14,15,17,55,57,66,67,68,69,70,80
51j0pA0.4544 4.32 0.21 0.88 0.32Download36,37,38,39,40,41,42,61,62,63,64,71,72,73,74,77,78
61a2i_0.4440 4.49 0.20 0.90 0.31Download17,18,19,20,21,22,23,24,77,78,79,80,82,83
71i77A0.4186 4.49 0.10 0.86 0.31Download13,14,15,17,55,57,66,67,68,69,70,80
81jg1A0.3845 4.76 0.11 0.83 0.28Download36,37,63,73,74,75,76,77,78
91gca_0.3412 4.89 0.10 0.75 0.27Download18,19,20,21,22,23,24
102bq4B0.3885 4.47 0.09 0.80 0.27Download12,13,14,15,17,55,57,66,67,68,69,70,80

(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).