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I-TASSER results for job id S34334

  Submitted Sequence

>1734
MFRKAVCKKLPLLLILVYYIVASIQDHAKDNGDIYVQHKQDSKCFNNLEREANATIPLQI
SNSTGNELEDVVRLCNSSFSIPTDHIMQFNTDGALADTVDKTGMCFIRCYFEKSGLIQNW
KLNKDQIVQKMWPLAADSVDFCEPEAKQEMNACVRTYAIAKCLMQRRFEGTCNPSAV

  Predicted Secondary Structure

Sequence                  20                  40                  60                  80                 100                 120                 140                 160
                   |                   |                   |                   |                   |                   |                   |                   |                  
MFRKAVCKKLPLLLILVYYIVASIQDHAKDNGDIYVQHKQDSKCFNNLEREANATIPLQISNSTGNELEDVVRLCNSSFSIPTDHIMQFNTDGALADTVDKTGMCFIRCYFEKSGLIQNWKLNKDQIVQKMWPLAADSVDFCEPEAKQEMNACVRTYAIAKCLMQRRFEGTCNPSAV
PredictionCCHHHHHHHCCHHHHHHHHHHHHHHHHCCCCCCSSSSSCCCCCCCCCHHHHHHHHCCCCCCCCCCCCHHHHHHHHHHCCCCCHHHHHHHCCCCCCCCCCCCCHHHHHHHHHHHCCCCCCCCCCHHHHHHHHCCCCCCCHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHCCCCCCC
Conf.Score916778764209999999999999873524686799857665445622225665163105796648899999986741797989999846778997656761479999999970887268738999999971455550999998612786689999999999999999820268899

  Top 5 Models predicted by I-TASSER

Download Model 1 Download Model 2 Download Model 3 Download Model 4 Download Model 5
C-score=-2.65
 C-score=-3.11
 C-score=-3.06
 C-score=-3.39
 C-score=-3.94
 
Estimated accuracy of Model1: 0.41±0.14 (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                 100                 120                 140                 160
                   |                   |                   |                   |                   |                   |                   |                   |                 
Sec.Str
Seq		CCHHHHHHHCCHHHHHHHHHHHHHHHHCCCCCCSSSSSCCCCCCCCCHHHHHHHHCCCCCCCCCCCCHHHHHHHHHHCCCCCHHHHHHHCCCCCCCCCCCCCHHHHHHHHHHHCCCCCCCCCCHHHHHHHHCCCCCCCHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHCCCCCCC
MFRKAVCKKLPLLLILVYYIVASIQDHAKDNGDIYVQHKQDSKCFNNLEREANATIPLQISNSTGNELEDVVRLCNSSFSIPTDHIMQFNTDGALADTVDKTGMCFIRCYFEKSGLIQNWKLNKDQIVQKMWPLAADSVDFCEPEAKQEMNACVRTYAIAKCLMQRRFEGTCNPSAV
11r5rA 0.15 0.16 0.62 1.29Download ---------------------------------------------------------DWVPPEVFDLVAEDKARCMSEHGTTQAQIDDVDK-GNLVN--EPSITCYMYCLLEAFSLVDEANVDEDIMLGLLPDQLQERAQSVMGKCLSGSDNCNKIYNLAKCVQESA-------PDV
21oohA 0.20 0.15 0.62 3.63Download -----------------------------------------------------------SHMTMEQSLDMIRSGCAPKFKLKTEDLDRLRV-GDFNFPPSQDLMCYTKCVSLMAGTVNKGEFNAPKALAQLPHLVPPSVEACRDTHKQFKESCERVYQTAKCFSENA------DGQ-
31r5rA 0.15 0.16 0.62 1.68Download ---------------------------------------------------------DWVPPEVFDLVAEDKARCMSEHGTTQAQIDDVDK-GNLVN--EPSITCYMYCLLEAFSLVDEANVDEDIMLGLLPDQLQERAQSVMGKPTSGSDNCNKIYNLAKCVQES-------APDV
41oofA 0.19 0.14 0.65 1.34Download MTMEQFLTS----------------------------------------------------------LDMIRSGCAPKFKLKTEDLDRLRV-GDFNFPPSQDLMCYTKCVSLMAGTVNKGEFNAPKALAQLPHLVPPEVEACRDTHKQFKESCERVYQTAKCFSEN---ADGQFMWP
51r5rA 0.15 0.16 0.62 1.45Download ---------------------------------------------------------DWVPPEVFDLVAEDKARCMSEHGTTQAQIDDVDK-GNLVN--EPSITCYMYCLLEAFSLVDEANVDEDIMLGLLPDQLQERAQSVMGKCLSGSDNCNKIYNLAKCVQESA-------PDV
61oohA 0.19 0.15 0.66 3.89Download ---------------------------------------------------------SHMTMEQLTSLDMIRSGCAPKFKLKTEDLDRLRV-GDFNFPPSQDLMCYTKCVSLMAGTVNKGEFNAPKALAQLPEMSRKSVEACRDTHKQFKESCERVYQTAKCFSENADGQFMWP---
71oohA 0.19 0.15 0.66 1.88Download --------------------------------------------------------SHMTMEQFLTSLDMIRSGCAPKFKLKTEDLDRLRV-GDFNFPPSQDLMCYTKCVSLMAGTVKKGEFNAPKALAQLPEMSRKSVEACRDTHKQFKESCERVYQTAKCFSENADGQFMWP---
81oohA 0.19 0.15 0.64 3.52Download ---------------------------------------------------------SHMTMEQLTSLDMIRSGCAPKFKLKTEDLDRLRV-GDFNFPPSQDLMCYTKCVSLMAGTVNKGEFNAPKALAQLPEMSRKSVEACRDTHKQFKESCERVYQTAKCFSENADGQF------
91c3zA 0.15 0.10 0.59 1.42Download -------------------------------------------------------------ETPREKLKQHSDACKAESGVSEESLNKVRN-REEVD--DPKLKEHAFCILKRAGFIDSGEFQLDHIKTKFKENSPEKVDDLVAKAVKKDTPQHSSADFFKCVHDNRS---------
101oofA 0.20 0.14 0.63 1.25Download -----------------------------------------------------------MTMEQLTSLDMIRSGCAPKFKLKTEDLDRLRV-GDFNFPPSQDLMCYTKCVSLMAGTVNKGEFNAPKALAQLPHLVPPSVEACRDTHKQFKESCERVYQTAKCFSENA-----DGQFM
(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
10.5791 1.42 0.12 0.621r5rA
Model1
 
20.5488 2.63 0.12 0.652erbA
Model1
 
30.5110 3.04 0.11 0.631dqeA
Model1
 
40.4992 2.82 0.13 0.611oofA
Model1
 
50.4734 2.95 0.14 0.591orgA
Model1
 
60.4734 5.15 0.03 0.801nnmA
Model1
 
70.4732 3.09 0.10 0.601tujA
Model1
 
80.4718 5.10 0.09 0.792w02A
Model1
 
90.4660 4.89 0.05 0.792r8cA
Model1
 
100.4657 5.00 0.03 0.803feqA
Model1
 
Structural alignment using TM-align
 
--------------------D------------------------------------W-VPPEVFDLVAEDKARCMSEHGTTQAQIDDVDKG-NL--VNEPSITCYMYCLLEAFSLVDDEANVDEDIMLGLLPDQLQERAQSVMGKCLPTSGSDNCNKIYNLAKCVQESAP-DVWFVI------- 
MFRKAVCKKLPLLLILVYYIVASIQDHAKDNGDIYVQHKQDSKCFNNLEREANATIPLQISNSTGNELEDVVRLCNSSFSIPTDHIMQFNTDGALADTVDKTGMCFIRCYFEKSGLIQ-NWKLNKDQIVQKMWPLAADSVDFCEPEA-KQEM-NACVRTYAIAKCLMQRRFEG-----TCNPSAV 
 
----------------------TPRR--------------------DAE--Y-----PP-P-ELLEALKPLHDICLGKTGVTEEAIKKFSDEE-I-HEDE-KLKCYMNCLFHEAKVVDDNGDVHLEKLHDSLPSSMHDIAMHMGKRCL-YPEGETLCDKAFWLHKCWKQSDPKHYFLV------- 
MFRKAVCKKLPLLLILVYYIVASIQDHAKDNGDIYVQHKQDSKCFNNLEREANATIPLQISNSTGNELEDVVRLCNSSFSIPTDHIMQFNTDGALADTVDKTGMCFIRCYFEKSGLIQ-NWKLNKDQIVQ-KM--WPLAADSVDFCEPEAKQEMNACVRTYAIAKCLMQRRFEG----TCNPSAV 
 
------------------------------------------------------SQEVMKNLS-LNF-GK--ALDECKKEMTLTDAINEDFYNFWKEGY--EIKNRETGCAIMCLSTKLNMLDPEGNLHHGNAMEFAKKHGADETMAQQLIDIVHGCEKSTPANDDKCIWTLGVATCFKAEIHKLNWAPSMDVAVGE----- 
MFRKAVCKKLPLLLILVYYIVASIQDHAKDNGDIYVQHKQDSKCFNNLEREANATIPL-QIS-NSTGNELEDVVRLCNS--SFSI-PTDHIMQFNTDGALADTVDKTGMCFIRCYFEKSGLI-QNWKLNKDQIVQKM----W-PLAADSVDFCEPEAKQ---EM-NACVRTYAIAKCLMQRRFEGTC----------NPSAV 
 
---------------------------------------------------------MT-MEQFLTSLDM-IRSGCAPKFKLKTEDLDRLRVG-DFNFPPSQDLMCYTKCVSLMAGTVNKKGEFNAPKALAQLPHLVPPEMM-EMSRKSVEACRDTHKQFKESCERVYQTAKCFSENA--DGQFMWP------ 
MFRKAVCKKLPLLLILVYYIVASIQDHAKDNGDIYVQHKQDSKCFNNLEREANATIPLQISNST-GNELEDVVRLCNSSFSIPTDHIMQFNTDGALADTVDKTGMCFIRCYFEKSGLIQ-NWKLNKDQIVQ-K-------MWPLAADSVDFCEPEAKQ-EMNACVRTYAIAKCLMQRRFEGT-----CNPSAV 
 
-----------------S--T------------------------------------QSYK--DA-MGP-LVRECMGSVSATEDDFKTVLNR-NP-LESR-TAQCLLACALDKVGLISPEGAIYTGDDLMPVMNRLYGFNDFKTVMKAKAVNDCANQVNGAYPDRCDLIKNFTDCVRNS----Y------ 
MFRKAVCKKLPLLLILVYYIVASIQDHAKDNGDIYVQHKQDSKCFNNLEREANATIPLQISNSTGNELEDVVRLCNSSFSIPTDHIMQFNTDGALADTVDKTGMCFIRCYFEKSGLIQ--NWKL---NKDQIVQK-MWP-L-AADSVDFCEPEAK--Q--EM-NACVRTYAIAKCLMQRRFEGTCNPSAV 
 
HKHAIPANIADRCLINPEQYETKYKQSINDPDTFWGEQGK---ILDWITPYQKVKNTSFAPGNVSIKWYEDGTLNLAANCLDRHLQ-------------------------ENGD--RTAII--WEGDDTSQSKHISYRELHRDVCRFANTLLDLGIKKGDVVAIYMPMVPEAAVAMLACARIGAVH-SVI--FGGFSPEAVAGCIIDSSSRLVITADEGVRAGRSIPLKKNVDDALKNPNVTSVEHVIV--L---------------K-----------R--TGS-DIDWQEGRDLWWRDLIEKASPEHQPEAMNAEDPLFILYTSGSTGKPKGVLHTTGGYLVYAATTFKYVFDYHPGDIYWCTAD------VGWVTGHSYLLYGPLACGATTLMF--EGVPN-WPTPARMCQVVDKHQVNILYTAPTAIRALMAEGDKAIEGTDRSSLRILGSVGEPINPEAWEWYWKKIGKEKCPVVDTWWQTETGGFMITPLPGAIELKAGSATRPFFGVQPALVDNEGHPQEGATEGNLVITDSWPGQARTLFGDHERFEQTYFSTFKNMYFSGDGARRDEDGYYWITGRVDDVLNVSGHRLGTAEIESALVAHPKIAEAAVVGIPHAIKGQAIYAYVTLNHGEEPSPELYAEVRNWVRKEIGPLATPDVLHWTDSLPKTRSGKIMRRILRKIAAGDADPGVVEKLLEEKQA---- 
----------------------------------------MFRKAV--------------------------CKKLPLLLI-----LVYYIVASIQDHAKDNGDIYVQHKQDS--KCFNNLEREANAT---IPLQISNSTGNELEDVVRLCNS--SFS----I----------------PT----DHIMQFNTDGALA---DT--V----DKTGM-------------------------------CFIRCYFEKSGLIQNWKLNKDQIVQKMWPLAADSVDFCEPEAKQEMNACVRTY---------------------------------------------------------------------AIAKCLM-----------------------QRRFEG-TCN------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PSAV 
 
-----------------------------------------------------IDQDTVVAKYM-EY-LMP-DIMPCADELHISEDIA-TN--IQ-AAKNGADMSQ-LGCLKACVMKRIEMLKGTELY-VEPVYKMIEVVHAGNADDIQLVKGIANECIENAKGETDECNIGNKYTDCYIEKLFS--------- 
MFRKAVCKKLPLLLILVYYIVASIQDHAKDNGDIYVQHKQDSKCFNNLEREANATI-PL-QISNSTGNELEDVVRLCNSSFSIP-TDHIMQFNT-DGALAD-TVDKTGMCFIRCYFEKSGLIQ-NWKLNKDQIVQKM---W---PLAADSVDFCEPEAK---Q-EMNACVRTYAIAKCLMQRRF-EGTCNPSAV 
 
NHD-------VLSRMISEKAALHGLLNCLIKEFAIPEGYLRYEWPDEMKGIPPGAYFDGADWKGIPMMIGLPDQLQLFVMVDRRDTFGSQHYLSDVYLRQAGDWQCPDFEPLVARLLAACEHIAGRK--NPELYEQIL-QSQRLVSAIVSHNGRQRADA----------------PLQHYLQSEQGLWFGHPSHPAPKARLWPALGQEQWAPEFQARAALHQFEVPVDGLHIGANGLTPQQVLDGFADQQPASPGHAIICMHPVQAQLFMQDARVQQLLRDNVIRDLGQSGRVASPTASIRTWFIDDHDYFIKGSLN-VRITN---CVRK--NAWYELES---TVLIDRLFRQLLDQHADTLGGLV--AAAEPGVVSWSPAAAGELDSHWFREQTGGILRENFCRRTGAERSIMAGTLFARGVDLQPMIQTFLRTHYGEALDDNALLYWFDDYQTRLLRPVLSLFFNHGVVMEPHLQNSVLVHQQGRPQQVLLRDFEGVKLTDDLGIRYIDDDIHPRVRQSLLYSREQGWNRIMYCLFINHLSETILALSQGRPQLAPLMWRRVQQQLRAIQGELKQPSPELDALIAGHPVACKTNLKVRLAASYVRLPSPW---- 
---MFRKAVCKK-LPLLLILVYYIVASIQDHAK-D--------------------------------------------------N-G-DIY--VQH--------KQD-SKCFNNLEREAN--A---TIP--L--QISNSTGNELEDVVRLCNSSFSIPTDHIMQFNTDGALADTVDKT--GM-CFIR-----------------------CYFEKS------------------------------------------------------------------------------G---L-IQN------WKLNKDQIVQKMWPLAAD--SVD-------FCEP----------------------EAKQ-------------------------------EMN----AC-VRTYA---------------------------------------------------------IAKCL--------------------------------------------------------MQR-RF----------------------------------------------------EGT--------CN-------PSAV 
 
TTFLFRNGALLDPDHPDLLQGFEILIEDGFIREVSDKPIKSSNAHVIDVKGKTIMPGLIDLHV-HVVAIEFNLPRVATLPNVLVTLR----AVPIMRAML-RRGFTTVRDAG-------------GAGY-PFK-QAVESGLVE-----GPRL--FVSGRALSQTGGHADPRARSDYMPPDSPCGCCVRVGALGRVADGVDEVRRAVREELQMGADQIKIMASGGVASPTDPVGVFGYSEDEIRAIVAEAQGRGTYVLAHAYTPAAIARAVRCGVRTIEHGNLIDDETARLVAEHGAYVVPTLVTYDALASEGEKYGLPPESIAKIADVHGAGLHSIEIMKRAGVKMGFGTDLLGEAQRLQSDE---FRIL--AEVLSPAEVIASATIVSAEVLGMQDKL--GRIVPGAHA--D-------V--LV-VDG--N---PLKS-VDC-LLGQGEHIPLVMKDGRLFVNELE----- 
---------------------------------------------------------------MFRKAVCKKL--------------PLLLI--LVYYIVASI---------QDHAKDNGDIYVQHKQ-DSK-CFNN-LEREANATIPLQISNSTGN---------------------------------------------------------EL-E--------------------------------------D------------------VVR------------------LCNS--------------------------------------------SFSIPT-D-----HIMQFNTDGAL--ADT---VD-KTGMCFIRCYFEKS-GLI--QNWKLNKDQIVQKMWPLAADSVDFCEPEA-KQEMNACVR-TYA-IAK--C-LMQRR-------FEGTCNPSAV 
 
TITVLQGGNVLDLERGVLLEHHHVVIDGERIVEVTDRPVDLPNAQAIDVRGKTVMPGFIDCHVHVLASNA-NLGVNATQPNILA----AIR-SLPILDAMLSRGFTSVRDAG----------GADW-SLM-QAVETGLVS-----GPRI--FPSGKALSQTGGHGDFRPRLEPCSCCFRTGAIARVVDGVEGVRLAVREEIQKGATQIKIMASGGVASPTDPIANTQYSEDEIRAIVDEAEAANTYVMAHAYTGRAIARAVRCGVRTIEHGNLVDEAAAKLMHEHGAFVVPTLVTYDALAKHGAEFGMPPESVAKVASVQQKGRESLEIYANAGVKMGFGSDLLGEMHAFQS---GEF-RIRAEVLGNLEALRSATTVAAEIVNMQGQL--GVIAVGAIA--D-------L-VVL-DG--N---PLED-IGVVADEGARVEYVLQRGTLVKRQ------ 
-----------------------------------------------------------------MFRKAVCKK-L--------PLLLI--LVYYIVASIQDH---------AKDNGDIYVQHKQ-DSK-CFNN-LEREANATIPLQISNSTGN---------------------------------------------------EL-E--------------------------------------D------------------VVR------------------LCNS--------------------------------------------SFSIPT-D----HIMQFNTDGALADTVD--K---TGMCFI-RCYFEK--SGLI-QNWKLNKDQIVQKMWPLAADSVDFCEPEAKQEMNACVR-TYAIAK--C-LMQRR------FEGTCNPSAV 
 
(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.
10.4361 4.93 0.10 0.700.48942qykB 3.1.4.17
 
20.4613 4.72 0.08 0.740.47972ojdA 1.14.13.15
 
30.4241 5.60 0.09 0.770.47312h12E 2.3.3.1
 
40.3824 5.58 0.11 0.690.47112cybB 6.1.1.1
 
50.4536 5.00 0.08 0.740.45951w0gA 1.14.13.671.14.13.97
 
(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
10.5784 1.46 0.12 0.623bjhA 0.51 GO:0005549 GO:0006810
20.5493 2.64 0.12 0.652erbB 0.48 GO:0005549 GO:0006810 GO:0005576 GO:0005615
30.4688 2.92 0.14 0.591p28B 0.46 GO:0005549 GO:0006810
40.4990 2.80 0.12 0.613b88B 0.45 GO:0005550 GO:0035274 GO:0035275 GO:0035276 GO:0006810 GO:0007608 GO:0007610 GO:0019236 GO:0042048 GO:0045471 GO:0005576
50.4875 3.04 0.13 0.602jpoA 0.45 GO:0005550 GO:0006810 GO:0019236
60.5214 3.05 0.11 0.642p71A 0.44 GO:0005550 GO:0006810 GO:0019236
70.4361 4.93 0.10 0.702qykB 0.40 GO:0004115 GO:0007154 GO:0007165 GO:0065007 GO:0005623 GO:0005624 GO:0005625 GO:0016020
80.4732 3.09 0.10 0.601tujA 0.39 GO:0005549 GO:0006810
90.4218 5.21 0.10 0.732e3bA 0.39 GO:0004601 GO:0005506 GO:0005509 GO:0016209 GO:0020037 GO:0043169 GO:0009056 GO:0009987 GO:0042221 GO:0042743 GO:0042744 GO:0044248 GO:0055114 GO:0005576
100.3824 5.58 0.11 0.692cybB 0.39 GO:0004831 GO:0005524 GO:0030554 GO:0006437 GO:0009058 GO:0009308 GO:0009987 GO:0010467 GO:0019752 GO:0034960 GO:0034961 GO:0043038 GO:0043039 GO:0043283 GO:0043284 GO:0044249 GO:0005622 GO:0005623 GO:0005737

Consensus Prediction of Gene Ontology terms 
Molecular Function  Biological Process Cellular Location
GO termGO-Score  GO termGO-Score GO termGO-Score
GO:00054880.396  GO:00512340.318  GO:00056230.267
GO:00055490.318  GO:00068100.318  GO:00444640.267
GO:00055500.134  GO:00511790.318  GO:00055760.206
GO:00038240.118  GO:00422210.173  GO:00160200.152
GO:00352760.045  GO:00508960.173  GO:00057370.152
GO:00352740.045  GO:00192360.134  GO:00444240.152
GO:00352730.045  GO:00099870.118  GO:00056220.152
GO:00352750.045  GO:00442370.078  GO:00432270.113
GO:00431780.045  GO:00081520.078  GO:00432290.113
GO:00041140.040  GO:00076350.045  GO:00432260.113

(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:
PHE:2  ARG:3  ALA:5  VAL:6  CYS:7  LYS:9  LEU:10  
PRO:11  LEU:12  LEU:13  LEU:14  ILE:15  LEU:16  GLU:69  
VAL:72  ASN:76  THR:83  ASP:84  MET:87  
Identified analogs with similar binding site:

RankPDB
Hit		TM-scoreRMSDaIDENaCov.BS-scoreDownload
Complex		Binding site residues on the predicted model
11mawA0.4135 5.12 0.11 0.69 0.52Download2,3,5,6,7,9,10,11,12,13,14,15,16,69,72,76,83,84,87
21nnmB0.4436 5.34 0.07 0.78 0.50Download19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,85,86,87,88,89,90,91,92,93,94,95,96,97,107,164,168
31gzqA0.3756 5.13 0.09 0.64 0.34Download16,17,18,19,20,21,22,48,52,58,60,75,90,105,106,107,108,109,110,111
41tujA0.4732 3.09 0.10 0.60 0.34Download17,60,90,107,110,111,116,127,130
51gzqA0.3756 5.13 0.09 0.64 0.26Download21,22,25,51,52,53,54,55,56,57,58,59,64,67,68,110,111,114,116,122,123,124,125,126,127,128,130,131,132,143,167
61ow4A0.4764 2.93 0.18 0.60 0.24Download107,111,127,128,131,135,136,139,143,160,163,164,167
72erbA0.5488 2.63 0.12 0.65 0.22Download58,64,67,68,110,111,114,116,124,127,128,130,131,136,139,140,141,143,163,175
81fhfA0.3798 5.29 0.09 0.66 0.22Download13,17,58,59,64,65,68,86,87,89,90,91,110,130,131,132,160,163,164
91n60C0.3403 4.59 0.12 0.54 0.22Download20,24,79,80,81,84,85,86,87,88,89,90,91,92,93,94,95,96,97,99,100,101,102,103,104,105,106,157,161,164
101b82A0.4273 5.45 0.07 0.76 0.20Download13,24,58,59,60,64,65,68,86,89,90,91,110,130,131,132,139,163,164,167

(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).