I-TASSER results for job id S34185

Submitted Sequence

>your_protein EALRRKNVLLLFSGLEFSTDELLILEQIYNESKAHAPRQDNRYELVWIPIVDQTSEWTDQ KQMQFENLRESMPWFSVYHPSLISKAVVWFIQSEWKYKNKPILVVLDPQGRVACPNAIHM MWIWGSAAFPF

Predicted Secondary Structure

Sequence	20                  40                  60                  80                 100                 120                    |                   |                   |                   |                   |                   |             EALRRKNVLLLFSGLEFSTDELLILEQIYNESKAHAPRQDNRYELVWIPIVDQTSEWTDQKQMQFENLRESMPWFSVYHPSLISKAVVWFIQSEWKYKNKPILVVLDPQGRVACPNAIHMMWIWGSAAFPF
Prediction	CCCCCCSSSSSSCCCCCCHHHHHHHHHHHHHHHHCCCCCCCCSSSSSSSCCCCCCCCCHHHHHHHHHHHCCCCSSSCCCCCCCCHHHHHHHHHHHCCCCCSSSSSSCCCCSSSCHHHHHHHHHHCCCCCCC
Conf.Score	95657479999806999646766899999999851334587348999965158778773448999998739962750678876478999879985858952899989999197887999999977465899

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                 120                    |                   |                   |                   |                   |                   |
							Sec.Str Seq	CCCCCCSSSSSSCCCCCCHHHHHHHHHHHHHHHHCCCCCCCCSSSSSSSCCCCCCCCCHHHHHHHHHHHCCCCSSSCCCCCCCCHHHHHHHHHHHCCCCCSSSSSSCCCCSSSCHHHHHHHHHHCCCCCCC EALRRKNVLLLFSGLEFSTDELLILEQIYNESKAHAPRQDNRYELVWIPIVDQTSEWTDQKQMQFENLRESMPWFSVYHPSLISKAVVWFIQSEWKYKNKPILVVLDPQGRVACPNAIHMMWIWGSAAFPF
1	1i5gA	0.19	0.24	0.89	1.96	Download		PSLAGKTVFFYFSASWCPPSRAFTPQLIDFYKAHA---EKKNFEVMLISWDES--------AEDFKDYYAKMPWLALPFED---RKGMEFLTTGFDVKSIPTLVGVEADGNIITTQARTMVVKPEAKDFPW
2	1i5gA	0.20	0.24	0.87	2.30	Download		PSLAGKTVFFYFSASWCPPSRAPQLIDFYKAHA-----EKKNFEVMLISWDESAE--------DFKDYYAKMPWLALPFEDRKG---MEFLTTGFDVKSIPTLVGVEADGNIITTQARTMVVKPEAKDFP-
3	1i5gA	0.18	0.24	0.89	2.30	Download		PSLAGKTVFFYFSASWCPPSRAF--TPQLIDFYKAHAE-KKNFEVMLISWDES--------AEDFKDYYAKMPWLALPFED---RKGMEFLTTGFDVKSIPTLVGVEADGNIITTQARTMVVKPEAKDFPW
4	1i5gA	0.21	0.24	0.88	1.02	Download		SGLAGKTVFFYFSASWCPPAFTPQLIDFYKAH-----AEKKNFEVMLISW--------DESAEDFKDYYAKMPWLALPFED---RKGMEFLTTGFDVKSIPTLVGVEADGNIITTQARTMVVKPEAKDFPW
5	1i5gA	0.19	0.24	0.89	2.18	Download		PSLAGKTVFFYFSASWCPPSRAFTPQLIDFYKAH---AEKKNFEVMLISWDES--------AEDFKDYYAKMPWLALPFED---RKGMEFLTTGFDVKSIPTLVGVEADGNIITTQARTMVVKPEAKDFPW
6	1o73A	0.20	0.21	0.89	1.91	Download		GSLVGKTVFLYFSASWCPPCRGFTPVL--AEFYEKHH-VAKNFEVVLISWDENESD--------FHDYYGKMPWLALPFDQR---STVSELGKTFGVESIPTLITINADGAIIGTQARTRVIEDPDGAFPW
7	1ewxA	0.21	0.24	0.89	2.64	Download		KSLAGKLVFFYFSASWCPPCRGFTPQLIEFYDKF---HESKNFEVVFCTW--------DEEEDGFAGYFAKMPWLAVP---FAQSEAVQKLSKHFNVESIPTLIGVDADGDVVTTRARATLVKPEGEQFPW
8	1o73A	0.19	0.21	0.89	2.01	Download		GSLVGKTVFLYFSASWCPPCRGFTPVL--AEFYEKHH-VAKNFEVVLISWDENE--------SDFHDYYGKMPWLALPFDQ---RSTVSELGKTFGVESIPTLITINADGAIIGTQARTRVIEDPDGAFP-
9	1i5gA	0.19	0.24	0.89	2.10	Download		PSLAGKTVFFYFSASWCPPSRAF--TPQLIDFYKAHAE-KKNFEVMLISW--------DESAEDFKDYYAKMPWLALPFED---RKGMEFLTTGFDVKSIPTLVGVEADGNIITTQARTMVVDPEAKDFPW
10	1o73A	0.20	0.21	0.89	1.88	Download		GSLVGKTVFLYFSASWCPPCRGFTPVLAEFYEKHH---VAKNFEVVLISWDEN--------ESDFHDYYGKMPWLALPFDQ---RSTVSELGKTFGVESIPTLITINADGAIIGTQARTRVIE-DGANFPW
(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 0.8452 1.07 0.19 0.89 1i5gA Model1   2 0.8328 1.20 0.19 0.89 1o73A Model1   3 0.8316 1.21 0.20 0.89 1ewxA Model1   4 0.6956 2.39 0.12 0.85 3fw2A Model1   5 0.6907 2.49 0.12 0.84 3fkfA Model1   6 0.6888 2.98 0.09 0.91 2b7jA Model1   7 0.6866 2.87 0.10 0.89 2hyxA Model1   8 0.6814 2.86 0.12 0.91 2k6vA Model1   9 0.6757 2.70 0.10 0.86 3eytA Model1   10 0.6754 2.87 0.10 0.88 2p31A Model1

Structural alignment using TM-align   SGLKKFFPYSTNVLKGAAADIALPSLAGKTVFFYFSASWCPPSRAFTPQLIDFYKAH--A-EKKNFEVMLISWD-E-------SAEDFKDYYAKMPWLALPFE---DRKGMEFLTTGFDVKSIPTLVGVEADSGNIITTQARTMVVKDPEAKDFPWPN  -----------------------EALRRKNVLLLFSGLEFSTDELLILEQIYNESKAHAPRQDNRYELVWIPIVDQTSEWTDQKQMQFENLRESMPWFSVYHPSLISKAVVWFIQSEWKYKNKPILVVLDPQ-GRVACPNAIHMMWIWG-SAAFPF--    MSGLAKYLPGATNLLSKSGEVSLGSLVGKTVFLYFSASWCPPCRGFTPVLAEFYEKH--H-VAKNFEVVLISWD-E-------NESDFHDYYGKMPWLALPFD---QRSTVSELGKTFGVESIPTLITINADTGAIIGTQARTRVIEDPDGANFPWPN  -----------------------EALRRKNVLLLFSGLEFSTDELLILEQIYNESKAHAPRQDNRYELVWIPIVDQTSEWTDQKQMQFENLRESMPWFSVYHPSLISKAVVWFIQSEWKYKNKPILVVLDP-QGRVACPNAIHMMWIWGS-AAFPF--    SGLDKYLPGIEKLRRGDGEVEVKSLAGKLVFFYFSASWCPPCRGFTPQLIEFYDKF--H-ESKNFEVVFCTWD--E------EEDGFAGYFAKMPWLAVPF-A--QSEAVQKLSKHFNVESIPTLIGVDADSGDVVTTRARATLVKDPEGEQFPWKDA  ----------------------EALRRKNVLLLFSGLEFSTDELLILEQIYNESKAHAPRQDNRYELVWIPIVDQTSEWTDQKQMQFENLRESMPWFSVYHPSLISKAVVWFIQSEWKYKNKPILVVLDP-QGRVACPNAIHMMWIWG-SAAFPF---    AKSEIGKYAPFFSLPNAKGEKITRSSDAFKQKSLLINFWASWNDSISQKQSNSELREIYK-KYKKNK-YIG-LGISLD--V------DKQQWKDAIKRDTLDWEQVCDF----GGL-NSEVAKQYSIYKIPANILLSSDGKILAKNL-R--GEELKKKIENIVEEA-  -------------------------EA-LRRKNVLLLFSGLEF-STDELLILEQIYNESKAHAPRQDNRYELVWIPIVDQTSEWTDQKQMQFENLRE--SMPWFSVYHPSLISKA-VVWFIQSEWKYKNKPILVVLDPQGRVACPNAIHMMWIWGSAAF--P----F    VTVGKSAPYFSLPNEKGEKLSRSAERFRNRYLLLNFWASWCDP-QPEANAELKRLNKE-YKKNK-NFA-LGISLD--I------DREAWETAIKKDTLSWDQVCDF----TGL-SSETAKQYAILTLPTNILLSPTGKILARDIQ---GEALTGKLKELL-  ------------------------EALRRKNVLLLFSGLEFSTDELLILEQIYNESKAHAPRQDNRYELVWIPIVDQTSEWTDQKQMQFENLRE--SMPWFSVYHPSLISKA-VVWFIQSEWKYKNKPILVVLDPQGRVACPNAIHMMWIWGSAAF--P-F    GKPSLGGPFHLEDMYGNEFTEKNLLGKFSIIYFGFSNCPDICPDELDKLGLWLNTLSSK-YGITLQPLFITCD-PA--R---DSPAVLKEYLSDFHPSILGL-T-GT--FDEVKNACKKYRVYVDHSIFFYLMDPEGQFVDA-LGRNYDEKTGVDKIVEHVKSYVPAEQR  ---------------------EALRRKNVLLLFSGLEFSTDELLILEQIYNESKAHAP-RQDNRYELVWIPIVDQTSEWTDQKQ-MQFENLRESM-P-WFSVYHPSLISKAVVWFIQSEWKYK--NKPILVVLDPQGRVACPNAIHMMWI-WGSAAF--PF---------    GAMEIREQLNLGGIVNAQNAQLSNCSDGAAQLESCGTAPDLKGITGWLNTPGNKPIDLKSLRGKVVLIDFWAYSCINCQRAIPHVVGWYQA--YK-DS-GLAVIGVHTPEY-AFEK--VPGNVAKGAANLGISYPIA-L----DNN--YATWTNYRNRYWPAEYLIDATGTVRHIKFGEGD-YNVTETLVRQLLNDAKPGVKLPQPSSTTTPDLTPRA  ----------------------------------------------------------EALRRKNVLLLFSGLEFSTDELLILEQIYNESKAHAPRQDNRYELVWIPIVDQTSEWTDQKQMQFENLRE--SMPWFSVYHPSLISKAVVWFIQSEWKYKNKPILVVLDPQGRVACPNA-IHMMWIWGSAAF--PF------------------------    GAMHTFYGTRLLNPKPVDFALEGPQGPVRLSQFQDKVVLLFFGFTRCPDVCPTTLLALKRAYEKLP-PKAQERVQVIFVSVD-PE-----RDP--PEVADRYAKAFHPSFLGLSG--S--PEAVREAAQTFGVFYQKSQYRGPGEYLVDHTATTFVVK-EGRLVLLYSPDKAEATDRVVADLQALL-  ------------------------------EALRRKNVLLLFSGLEFSTDELLILEQIYNESKAHAPRQDN-RYELVWIPIVDQTSEWTDQKQMQFENLRESM----P-WFSVYHPSLISKAVVWFIQSEWKYK---------------NKPILVVLDPQGRVACPNAIHMMWIWG--SAAF--P-F    SNAKAPELQIQQWFNSATDLTLADLRGKVIVIEAFQ-LCPGCV-HGIPLAQKVRAAFP-ED--KVAVLGLHTVFEHH-E---ATPISLKAFLHEYRIKFPVGVD----QPGDGA--PRT-AAYQ-RGTPSLLLIDKAGDLRAHHFGDV-SELLLGAEIATLLGEAAP  ----------------------EALRRKNVLLLFSGLEFSTDELLILEQIYNESKAHAPRQDNRYELVWIPIV-DQTSEWTDQKQMQFENLRE-S-MPWFSVYHPSLISKA---VVWFIQSEWKYKNKPILVVLDPQGRVACPNAIHMMWIWGSAAFPF--------    QDFYDFKAVNIRGKLVSLEKYRGSVSLVVNVASECGFTDQHYRALQQLQR-D-LG-P-HHFNVLAFPCNQFGQQEP------DSNKEIESFARRTYSVSFPMFSK-----IAVTGTGAHPAFKYLAQTSGKEPTWNFWKYLVAPDGKVVGAWDPTVSVEEV-RPQITALVR  ------------------EALRRKNVLLLFSGLEFSTDELLILEQIYNESKAHAPRQDNRYELVWIPIV-----DQTSEWTDQKQMQFENLRE--S-MPWFSVYHPSLISKAVV---WF-IQS-EW-----KYKNKPILVVLDPQGRVACPNAI-HMMWIWGSAAF-PF--

(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	0.6861	2.70	0.12	0.85	0.9858	3fkfD	1.8.4.7
2	0.6491	3.17	0.12	0.87	0.9474	2he3A	1.11.1.9
3	0.6199	3.06	0.14	0.84	0.9461	1xxuD	1.11.1.15
4	0.6160	3.06	0.14	0.84	0.9433	1zyeK	1.11.1.15
5	0.6692	2.85	0.10	0.88	0.9289	2fy6A	1.8.4.11	1.8.4.12

(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	0.8261	1.28	0.20	0.89	1qk8A	1.42	GO:0016209 GO:0016491 GO:0019725 GO:0042592 GO:0045454
2	0.8328	1.20	0.19	0.89	1o73A	1.41	GO:0016209 GO:0016491 GO:0006091 GO:0006810 GO:0019725 GO:0022900 GO:0042592 GO:0045454
3	0.8293	1.24	0.19	0.89	1oc9B	1.40	GO:0016209 GO:0016491 GO:0019725 GO:0042592 GO:0045454
4	0.6702	2.96	0.14	0.89	1jfuB	1.04	GO:0016491 GO:0010926 GO:0017004 GO:0019725 GO:0022607 GO:0034621 GO:0034622 GO:0042592 GO:0045454 GO:0070271 GO:0005623 GO:0005886 GO:0016021
5	0.6155	3.12	0.16	0.84	2c0dB	1.01	GO:0004601 GO:0016209 GO:0019725 GO:0042592 GO:0045454
6	0.6562	2.74	0.14	0.85	3c73B	1.01	GO:0015036 GO:0016209 GO:0010926 GO:0017004 GO:0019725 GO:0022607 GO:0034621 GO:0034622 GO:0042592 GO:0045454 GO:0055114 GO:0070271 GO:0005623 GO:0005886 GO:0016021
7	0.6486	2.09	0.14	0.77	2ju5A	0.98	GO:0016853 GO:0019725 GO:0042592 GO:0045454
8	0.6475	2.81	0.14	0.83	1kngA	0.98	GO:0015036 GO:0010926 GO:0017004 GO:0019725 GO:0022607 GO:0034621 GO:0034622 GO:0042592 GO:0045454 GO:0070271 GO:0005623 GO:0030288 GO:0030312 GO:0042597 GO:0044462
9	0.6187	3.21	0.14	0.84	2h01A	0.96	GO:0016209 GO:0016491 GO:0019725 GO:0042592 GO:0045454
10	0.6325	2.93	0.14	0.83	1zzoA	0.96	GO:0016491 GO:0019725 GO:0042592 GO:0045454

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:0016491 1.019    GO:0045454 1.117    GO:0005623 0.958 GO:0016209 0.721    GO:0019725 1.117    GO:0044464 0.958 GO:0015036 0.199    GO:0042592 1.117    GO:0016020 0.484 GO:0016667 0.199    GO:0044085 0.303    GO:0005737 0.471 GO:0004601 0.101    GO:0034622 0.303    GO:0044424 0.471 GO:0016684 0.101    GO:0016043 0.303    GO:0005622 0.471 GO:0016853 0.098    GO:0017004 0.303    GO:0031224 0.389    GO:0010926 0.303    GO:0044425 0.389    GO:0043933 0.303    GO:0016021 0.389    GO:0022607 0.303    GO:0005886 0.389

(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: SER: 13    GLY: 14    PHE: 17    SER: 18    THR: 19    ASP: 20    GLU: 21    LEU: 22    LEU: 23    ILE: 24    LEU: 25    TRP: 47    TYR: 97    LYS: 100    PRO: 101    ILE: 102

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 1xiyB 0.5993 3.41 0.08 0.80 0.53 Download 13,14,17,18,19,20,21,22,23,24,25,47,97,100,101,102 2 1jylA 0.4510 4.47 0.14 0.70 0.36 Download 10,11,12,13,50,88,91,92,96,97,98,99,100,101,102,103,104,118 3 2bgsA 0.5337 4.09 0.12 0.78 0.24 Download 10,11,12,13,50,88,92,95,96,97,98,99,101,102,103,104,114,115,116,117,118,119,120 4 1vp5A 0.5118 4.34 0.11 0.77 0.20 Download 10,11,12,13,50,88,92,95,96,97,98,99,100,101,102,103,104,114,115,116,117,118,119,120,123 (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.