I-TASSER results for job id S34202

Submitted Sequence

>sh-fiii-C DNLACKPFWKPRNLNISQHGSDMQVSFDHAPHNFGFRFFYLHYKLKHEGPFKRKTCKQEQ TTETTSCLLQNVSPGDYIIELVDDTNTTRKVMHYALKPVHSPWAGP

Predicted Secondary Structure

Sequence	20                  40                  60                  80                 100                    |                   |                   |                   |                   |        DNLACKPFWKPRNLNISQHGSDMQVSFDHAPHNFGFRFFYLHYKLKHEGPFKRKTCKQEQTTETTSCLLQNVSPGDYIIELVDDTNTTRKVMHYALKPVHSPWAGP
Prediction	CCCCCCCCCCCCCCCHCHCCCCCSSSSCCCCCCCCSSSSSSSSSSCCCCCCCCCCCCCCCCCCCSSSSSSCCCCCCCSSSSSSCCCHHHHHCSSSSCCCCCCCCCC
Conf.Score	9743346677654553014663079861288736636799886521378731000237788532556774599776058887255134332016660357888897

Top 5 Models predicted by I-TASSER

Top 10 templates used by I-TASSER

Rank	PDB Hit	Iden1	Iden2	Cov.	Norm. Z-score	Download Align.		20                  40                  60                  80                 100                    |                   |                   |                   |                   |
							Sec.Str Seq	CCCCCCCCCCCCCCCHCHCCCCCSSSSCCCCCCCCSSSSSSSSSSCCCCCCCCCCCCCCCCCCCSSSSSSCCCCCCCSSSSSSCCCHHHHHCSSSSCCCCCCCCCC DNLACKPFWKPRNLNISQHGSDMQVSFDHAPHNFGFRFFYLHYKLKHEGPFKRKTCKQEQTTETTSCLLQNVSPGDYIIELVDDTNTTRKVMHYALKPVHSPWAGP
1	1uc6A	0.20	0.19	0.91	0.90	Download		LGSV-KP--PPENVVARPNPRRLEVTWQTDPESFPLK-FFLRYRPL-----ILDQWQHVELSNGTAHTITDAYAGEYIIQVAAKDNEIGTWSDWSV-AAHTPWTEE
2	2yrzA	0.19	0.20	0.95	0.77	Download		RLTAGVP-DTPTRLVFSALGPTLRVSWQEPRCERPLQGYSVEYQLLNGGELHRLN---IPNPAQTSVVVEDLLPNSYVFRVRAQSQEGWGREREGVIQVSGPSSG-
3	2ee3A	0.21	0.26	0.94	0.66	Download		GSSGSSGLAPPRHLGFSDVSHDARVFWEGAPRPV--RLVRVTYVSSEGGHSGQTE----APGNATSAMLGPLSSSTYTVRVTCLYPGGGLTGRVTTKKAPSPSSGP
4	2zezA	0.08	0.15	1.00	0.66	Download		SNLIVNGTAENGMDGWPDWGYPVSAVPEAAYGGTKGFKYILGAWGKFTAKPGTQYHLKDANNTYVQNILRFTETDWTYKQVVFTTPDAFGSDPEFVLWKDDASNAD
5	2cuiA	0.13	0.17	0.97	0.94	Download		SSGSSGSRPRLSQLSVTDVTTSLRLNWEAPPGAFD--SFLLRFGVPSPSTLEPHPRPLLQPGTRHSAVLRDLRSGTYSLTLYGLRGPHKDSIQGTARTLSGPSSG-
6	2yrzA	0.19	0.20	0.95	0.83	Download		RLTAGVPD-TPTRLVFSALGPTLRVSWQEPRCERPLQGYSVEYQLLNGGELHRLN---IPNPAQTSVVVEDLLPNSYVFRVRAQSQEGWGREREGVSQVSGPSSG-
7	2ee3A	0.18	0.26	0.98	0.93	Download		GSSGSSGLAPPRHLGFSDVSHDARVFWEGAPRPV--RLVRVTYVSSEGGHSGQTEAPGNATSAMLGPLSSSTTYTVRVTCLYPGGGSSTLTGRVTTKKAPSPSSGP
8	2yrzA	0.20	0.20	0.65	0.56	Download		----------PTRLVFSALGPTLRVSWQEPRCERPLQGYSVEYQLLNGGELHRL---NIPNPAQTSVVVEDLLPNSYVFRVR------------------------
9	2ee3A	0.21	0.26	0.94	0.64	Download		GSSGSSGLAPPRHLGFSDVSHDARVFWEGAPRPV--RLVRVTYVSSEGGHSGQTE----APGNATSAMLGPLSSSTYTVRVTCLYPGGGLTGRVTTKKAPSPSSGP
10	1j8kA	0.16	0.19	0.87	0.87	Download		-NID-----RPKGLAFTDVDVDIKIAWESPQGQV--SRYRVTYSSPEDGIHELFP---APDGEEDTAELQGLRPGSYTVSVVALHDDMESQPLIGTQSTAIP-A--
(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)

Rank TM-score RMSDa IDENa Cov. PDB Hit 1 0.7547 2.31 0.13 0.94 1fnfA Model1   2 0.7473 2.28 0.11 0.94 2edxA Model1   3 0.7428 2.43 0.16 0.92 2yrzA Model1   4 0.7404 2.35 0.12 0.94 1fnhA Model1   5 0.7364 2.39 0.12 0.92 2geeA Model1   6 0.7314 2.82 0.10 0.95 1tdqA Model1   7 0.7295 2.31 0.15 0.90 1qg3A Model1   8 0.7267 2.52 0.08 0.91 1wfoA Model1   9 0.7252 2.40 0.16 0.92 2docA Model1   10 0.7211 2.25 0.11 0.91 2v5yA Model1

Structural alignment using TM-align   PLSPPTNLHLEANPDTGVLTVSWERSTTPDITGYRITTTPTNGQQGNSLEEVVHADQSSCTFDNLSPGLEYNVSVYTVKDDKESVPISDTIIPAVPPPTDLRFTNIGPDTMRVTWAPPP-SIDLTNFLVRYSPVKNEEDVAELSI--SPS--DNAVVLTNLLPGTEYVVSVSSVYEQH-ESTPLRGRQKTGLDSPTGIDFSDITANSFTVHWIAPRATITGYRIRHHPEHFSGRPREDRVPHSRNSITLTNLTPGTEYVVSIVALNGREESPLLIGQQSTVSDVPRDLEVVAATPTSLLISWDAPAVTVRYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTGRGDSPASSKPISINYRT  --------------------------------------------DN---------------------LA----------------------CKPFWKPRNLNISQHG-SDMQVSFDHAPHNFGFRFFYLHYKLKHEG-PFKRKTCKQEQTTETTSCLLQNVS-PGDYIIELVDDT-NTTRKVMHYALKPVHS------------------------P-WAG-------------------P-------------------------------------------------------------------------------------------------------------------------------------    GSSGSSGTIEARTAQSTPSAPPQKVMCVSMGSTTVRVSWVPPPADSRNGVITQYSVAYEAVDGEDRGRHVVDGI-SRE--HSSWDLVGLEKWTEYRVWVRAHTDVGP-GPESSPVLVRTDEDVPSGPPRKVESGPSSG-  ------------DNLACKPFWKPRNLNISQHGSDMQVSFDHAP--HN-FGFRFFYLHYKLK-H-EGPFKRKTCKQEQTTETTSCLLQNVSP-GDYIIELVDDT--NTTRKVMHYALKPVHSPWAG-------------P    GSSGSSGSHDS-RLTAGVPDTPTRLVFSALGPTSLRVSWQEPRCERPLQGYSVEYQLLNGGELHRLN-IPNPA--QTSVVVEDLLPNHSYVFRVRAQSQEG-WGREREGVITIESQVSGPSSG----  -----------DNLACKPFWKPRNLNISQHG-SDMQVSFDHAPHNFGFRFFYLHYKLKHEGPFKRKTCKQEQTTETTSCLLQNVSP-GDYIIELVDDT-NTTRKVMHYALKPVHSP-------WAGP    PAPTDLKFTQVTPTSLSAQWTPPNVQLTGYRVRVTPKEKTGPMKEINLAPDSSSVVVSGLMVATKYEVSVYALKDTLTSRPAQGVVTTLENVSPPRRARVTDATETTITISWRT-KTE-TITGFQVDAVPANGQTPIQRTI--KPD--VRSYTITGLQPGTDYKIYLYTLNDNARSSPVVIDASTAIDAPSNLRFLATTPNSLLVSWQPPRARITGYIIKYEKPGSPPREVVPRPRPGVTEATITGLEPGTEYTIYVIALKNNQKSEPLIGRKKT  ---------DNL---------------------------------------------------------------------------ACKPFWKPRNLNISQHGS-DMQVSFDHAPHNFGFRFFYLHYKLKHEGPFKRKTCKQEQTTETTSCLLQNVS-PGDYIIELVDDTNTTRKVMHYALKPVHS--------------------------PWAG-----------------P----------------------------------------    PRG--SHMEV-PQPTDLSFVDITDSSIGLRWTPLNSS-TIIGYRITVVAAGEGIPIFED-FV---DSSVGYYTVTGLEPGIDYDISVYTVKNGGESTPTTLTQQTAVPPPTDLRFTNIGPDTMRVTWAPPPSIDLTNFLVRYSPVKNEEDVAELSISPSDNAVVLTNLLPGTEYVVSVSSVYEQHESTPLRGRQKT  ---DNLACKPFWKPRNLNISQH-GSDMQVSFDHAPHNFGFRFFYLHYKLKHEG-PFKRKTCKQEQTTETTSCLLQNVSP-GDYIIELVDDTNTTRKVMHYALKPVHSP--------------------------W-AGP---------------------------------------------------------    IPVIDGPTQILVRDVSDTVAFVEWTPPRAKVDFILLKYGLVGGEGGKTTFRLQPPLSQYSVQALRPGSRYEVSISAVRGTNESDASSTQFTTEIDAPKNLRVGSRTATSLDLEWDNSEA--EAQEYKVVYSTLAGEQYHEVLV--PKGIGPTTKTTLTDLVPGTEYGVGISAVMNSKQSIPATMNARTELDSPRDLMVTASSETSISLIWTKASGPIDHYRITFTPSSGISSEVTVPRDRTSYTLTDLEPGAEYIISITAERGRQQSLESTVDAF-  -----------------------------------------D------------------------NLA---------------------CKPFWKPRNLNISQHG-SDMQVSFDHAPHNFGFRFFYLHYKLKHEGPFKRKTCKQEQTTE-TTSCLLQNVS-PGDYIIELVDDTNTTRKVMHYALKPVHSP--------------------------------------------------------------------WA----G---------P    DLGAPQNPNAKAAGSRKIHFNWLPPSGKPMGYRVKYWIQGDSESEAHLLDSKVPSVELTNLY-PYCDYEMKVCAYGAQGEGPYSSLVSCRTHQEVPSEPGRLAFNVVSSTVTQLSWAEPAETNGEITAYEVCYGLVNDDNRPIGPMKKVLVD-N-P-KNRMLLIENLRESQPYRYTVKARNGAG-WGPEREAIINLATQP-----  --------------------------------------------------------------DNL--------------------------ACKPFWKPRNLNISQHG-SDMQVSFDHAP-HNFGFRFFYLHYKLKH-----EGPFKRKTCKQEQTTETTSCLLQNVSP-GDYIIELVDDT-NTTRKVMHYALKPVHS--PWAGP    GSSGSSGRIGDGSPSHPPILER--TLDDVPGPPMGILFPEVRTTSVRLIWQPPAAPNGIILAYQITHRLNTTTANTATVEVLA--PS--ARQYTATGLKPESVYLFRITAQTRKGWGEAAEALVVTTEKRSGPSSG----  ----------------------DNLACKPFWKPRNLNISQHGS-DMQVSFDHAP-HNFGFRFFYLHYKLKHE-G-PFKRKTCKQEQTTETTSCLLQNVSP-GDYIIELVDDTNTTRKVMHYALKPVHSP-------WAGP    GSSGSSGQEYILALADVP-SSPYGVKIIELSQTTAKVSFNKPDSHGGVPIHHYQVDVKEVASEIWKIVRS-HG-V--QTMVVLNNLEPNTTYEIRVAAVNGKG-QGDYSKIEIFQTLPVSGPSSG---  ----------DN-LACKPFWKPRNLNISQHG-SDMQVSFDHAPHN-F-GFRFFYLHYKLKHEGPFKRKTCKQEQTTETTSCLLQNVSP-GDYIIELVDDT-NTTRKVMH-YALKPVHSPW-----AGP    TFSGGCLFDEPYSTCGYSQSEGDDFNWEQVNTLTKPTSDPWMPSGSFMLVNASGRPEGQRAHLLLPQLKENDTHCIDFHYFVSSKSNSPPGLLNVYVKVNNGPLGNPIWNISGDPTRTWNRAELAISTFWPNFYQVIFEVITSGHQGYLAIDEVKVLGHPCTRTPHFLRIQNVEVNAGQFATFQCSAIGRTVAGDRLWLQGIDVRDAPLKEIKVTSSRRFIASFNVVNTTKRDAGKYRCMIRTEGGVGISNYAELVVKEPPVPIAPPQLASVGATYLWIQLNANSINGDGPIVAREVEYCTASGSWNDRQPVDSTSYKIGHLDPDTEYEISVLLTRPGEGGTGSPGPALRTRTKCADPMRGPRKLEVVEVKSRQITIRWEPFGYNVTRCHSYNLTVHYCYQVGGQEQVREEVSWDTENSHPQHTITNLSPYTNVSVKLILMNPEGRKESQELIVQTDED-LPGA-VPTESIQGSTFEEKIFLQWREPTQTYGVITLYEITYKAVSSFDDLSNQSGRVSK--LGN--ETHFLFFGLYPGTTYSFTIRASTAKGFG--PPATNQFTTKISAPSM--  -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DNLACKPFWKPR--NLNISQHGSDMQVSFDHAPHNFG-FRFFYLHYKLKH-----EGPFKRKTCKQEQTTETTSCLLQNVSP-GDYIIELVDDT--NTTRKVMHYALKPVHSPWA--GP

(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

Rank	TM-score	RMSDa	IDENa	Cov.	EC-Score	PDB Hit	EC No.
1	0.6279	3.18	0.17	0.91	0.9079	1x5zA	3.1.3.48
2	0.7473	2.28	0.11	0.94	0.8483	2edxA	3.1.3.48
3	0.7211	2.25	0.11	0.91	0.8258	2v5yA	3.1.3.48
4	0.6642	2.90	0.13	0.89	0.8188	2djuA	3.1.3.48
5	0.6206	3.03	0.13	0.91	0.8023	1bl2B	2.3.2.13

(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

Rank	TMscore	RMSDa	IDENa	Cov.	PDB Hit	Fh-Score	Associated GO Terms
1	0.7428	2.43	0.16	0.92	2yrzA	0.96	GO:0004872 GO:0005515 GO:0007154 GO:0007160 GO:0007229 GO:0022610 GO:0065007 GO:0005623 GO:0005886 GO:0005887 GO:0008305 GO:0016021
2	0.6711	2.49	0.18	0.86	3hhrC	0.93	GO:0004896 GO:0017046 GO:0019901 GO:0019955 GO:0042301 GO:0042562 GO:0042802 GO:0042803 GO:0043130 GO:0070064 GO:0009987 GO:0032501 GO:0040008 GO:0044237 GO:0050789 GO:0050896 GO:0051179 GO:0065007 GO:0005576 GO:0005615 GO:0005623 GO:0005886 GO:0005887 GO:0009986 GO:0016021 GO:0043235
3	0.6491	1.93	0.19	0.79	2mfnA	0.93	GO:0005515 GO:0008201 GO:0016504 GO:0030246 GO:0006950 GO:0007154 GO:0007155 GO:0009605 GO:0009653 GO:0010926 GO:0016043 GO:0022610 GO:0044085 GO:0048856 GO:0048869 GO:0050793 GO:0050794 GO:0065008 GO:0005576 GO:0005578 GO:0005604 GO:0005623 GO:0005886 GO:0016324 GO:0045177
4	0.6943	2.36	0.16	0.89	2v5yA	0.93	GO:0004725 GO:0005001 GO:0005515 GO:0006470 GO:0007155 GO:0016311 GO:0022610 GO:0034960 GO:0043412 GO:0005623 GO:0005886 GO:0005887 GO:0016021
5	0.6782	2.70	0.16	0.90	2ee2A	0.92	GO:0005515 GO:0007154 GO:0007155 GO:0007219 GO:0022610 GO:0065007 GO:0005623 GO:0005624 GO:0005886 GO:0031225
6	0.6703	2.48	0.16	0.86	2ekjA	0.90	GO:0005198 GO:0007155 GO:0022610 GO:0005576
7	0.6748	2.57	0.16	0.89	1wj3A	0.90	GO:0005515 GO:0007155 GO:0022610 GO:0005623 GO:0005886 GO:0031225
8	0.6661	1.81	0.17	0.79	1qr4B	0.89	GO:0005102 GO:0007154 GO:0007155 GO:0007165 GO:0022610 GO:0065007 GO:0005576 GO:0005578
9	0.6684	2.84	0.15	0.92	1x4zA	0.88	GO:0005515 GO:0009653 GO:0009987 GO:0022610 GO:0032501 GO:0048869 GO:0050789 GO:0050896 GO:0051179 GO:0065007 GO:0005623 GO:0009986 GO:0016020 GO:0016021 GO:0030424 GO:0030426 GO:0043025
10	0.6417	2.53	0.16	0.85	1pvhC	0.88	GO:0004897 GO:0004915 GO:0004921 GO:0004923 GO:0004924 GO:0005102 GO:0019970 GO:0019981 GO:0042802 GO:0042803 GO:0045509 GO:0045513 GO:0002376 GO:0009987 GO:0032501 GO:0032502 GO:0044237 GO:0050789 GO:0050896 GO:0065007 GO:0005576 GO:0005623 GO:0005886 GO:0005887 GO:0005896 GO:0005900 GO:0009897 GO:0009986 GO:0016021

Consensus Prediction of Gene Ontology terms
Molecular Function    Biological Process   Cellular Location GO term GO-Score    GO term GO-Score   GO term GO-Score GO:0005515 0.820    GO:0022610 0.730    GO:0005623 0.731 GO:0004871 0.369    GO:0007155 0.642    GO:0005886 0.644 GO:0060089 0.369    GO:0050789 0.638    GO:0031224 0.638 GO:0004872 0.369    GO:0065007 0.638    GO:0044459 0.462 GO:0004888 0.273    GO:0050794 0.370    GO:0016021 0.457 GO:0004896 0.181    GO:0007154 0.370    GO:0005576 0.453 GO:0046983 0.181    GO:0050896 0.361    GO:0005887 0.369 GO:0042802 0.181    GO:0044237 0.361    GO:0031226 0.369 GO:0019955 0.181    GO:0007165 0.277    GO:0032991 0.276 GO:0042803 0.181    GO:0008152 0.273    GO:0043235 0.276

(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: ASN: 2    LEU: 3    ALA: 4    CYS: 5    LYS: 6    PRO: 7    PHE: 8    TRP: 9    ALA: 30    HIS: 32    ASN: 33    PHE: 34    GLY: 35    PHE: 36    ARG: 37    ASP: 83    ASP: 84    THR: 85    ASN: 86    THR: 87    THR: 88    ARG: 89    LYS: 90    VAL: 91

Identified analogs with similar binding site: Rank PDB Hit TM-score RMSDa IDENa Cov. BS-score Download Complex Binding site residues on the predicted model 1 1wz1H 0.6035 3.23 0.10 0.84 0.89 Download 2,3,4,5,6,7,8,9,30,32,33,34,35,36,37,83,84,85,86,87,88,89,90,91 (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.