I-TASSER results for job id S34551

Submitted Sequence

>your_protein MKDVVDKCSTKGCAIDIGTVIDNDNCTSKFSRFFATREEAESFMTKLKELAAAASSADEG ASVAYKIKDLEGQVELDAAFTFSCQAEMIIFELSLRSLA

Predicted Secondary Structure

Sequence	20                  40                  60                  80                 100                    |                   |                   |                   |                   | MKDVVDKCSTKGCAIDIGTVIDNDNCTSKFSRFFATREEAESFMTKLKELAAAASSADEGASVAYKIKDLEGQVELDAAFTFSCQAEMIIFELSLRSLA
Prediction	CCCHHHCCCCCCCSSSSCSSSSCCCCSSSSSSSCCCHHHHHHHHHHHHHHHHHHCCCCCCCCCCCSSSSCCCCSSSSSSSSSSCHHHHHHHHHHHCCCC
Conf.Score	965353248764378740377389745999987099899999999999888662257898534016898279289987899981578899986640259

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                    |                   |                   |                   |
							Sec.Str Seq	CCCHHHCCCCCCCSSSSCSSSSCCCCSSSSSSSCCCHHHHHHHHHHHHHHHHHHCCCCCCCCCCCSSSSCCCCSSSSSSSSSSCHHHHHHHHHHHCCCC MKDVVDKCSTKGCAIDIGTVIDNDNCTSKFSRFFATREEAESFMTKLKELAAAASSADEGASVAYKIKDLEGQVELDAAFTFSCQAEMIIFELSLRSLA
1	2k3iA	1.00	1.00	1.00	3.83	Download		MKDVVDKCSTKGCAIDIGTVIDNDNCTSKFSRFFATREEAESFMTKLKELAAAASSADEGASVAYKIKDLEGQVELDAAFTFSCQAEMIIFELSLRSLA
2	2k3iA	1.00	1.00	0.99	7.75	Download		MKDVVDKCSTKGCAIDIGTVIDNDNCTSKFSRFFATREEAESFMTKLKELAAAASSADEGASVAYKIKDLEGQVELDAAFTFSCQAEMIIFELSLRSL-
3	2k3iA	1.00	1.00	1.00	4.21	Download		MKDVVDKCSTKGCAIDIGTVIDNDNCTSKFSRFFATREEAESFMTKLKELAAAASSADEGASVAYKIKDLEGQVELDAAFTFSCQAEMIIFELSLRSLA
4	2k3iA	1.00	1.00	1.00	1.73	Download		MKDVVDKCSTKGCAIDIGTVIDNDNCTSKFSRFFATREEAESFMTKLKELAAAASSADEGASVAYKIKDLEGQVELDAAFTFSCQAEMIIFELSLRSLA
5	2k3iA	1.00	1.00	1.00	5.46	Download		MKDVVDKCSTKGCAIDIGTVIDNDNCTSKFSRFFATREEAESFMTKLKELAAAASSADEGASVAYKIKDLEGQVELDAAFTFSCQAEMIIFELSLRSLA
6	2k3iA	1.00	1.00	1.00	7.12	Download		MKDVVDKCSTKGCAIDIGTVIDNDNCTSKFSRFFATREEAESFMTKLKELAAAASSADEGASVAYKIKDLEGQVELDAAFTFSCQAEMIIFELSLRSLA
7	2jz5A	0.35	0.32	0.83	1.47	Download		-------------AGEIGFIIKEGDEVADVTIFAETKDALESELAKYIELAKSVCAGVEYNVSELT----EESKELTARFKFEVSAEKLIFELKTRSLA
8	2k3iA	1.00	1.00	1.00	6.45	Download		MKDVVDKCSTKGCAIDIGTVIDNDNCTSKFSRFFATREEAESFMTKLKELAAAASSADEGASVAYKIKDLEGQVELDAAFTFSCQAEMIIFELSLRSLA
9	2k3iA	1.00	1.00	1.00	3.76	Download		MKDVVDKCSTKGCAIDIGTVIDNDNCTSKFSRFFATREEAESFMTKLKELAAAASSADEGASVAYKIKDLEGQVELDAAFTFSCQAEMIIFELSLRSLA
10	2jz5A	0.38	0.32	0.82	1.91	Download		-------------AGEIGFIIKEGDEVADVTIFAETKDALESELAKYIELAKSVCA-----GVEYNVSELEESKELTARFKFEVSAEKLIFELKTRSLA
(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 0.9707 0.74 1.00 1.00 2k3iA Model1   2 0.6330 1.58 0.31 0.71 2jz5A Model1   3 0.5981 1.76 0.05 0.71 1diqA Model1   4 0.5903 2.72 0.09 0.76 1e8gA Model1   5 0.5826 2.75 0.10 0.79 2ddzA Model1   6 0.5792 2.92 0.05 0.78 2e5aA Model1   7 0.5715 2.79 0.01 0.76 1ftrA Model1   8 0.5712 3.25 0.02 0.80 1x2gA Model1   9 0.5694 2.85 0.07 0.80 2cghA Model1   10 0.5665 2.62 0.07 0.74 2e1tA Model1

Structural alignment using TM-align   MAMKDVVDKCSTKGCAIDIGTVIDNDNCTSKFSRFFATREEAESFMTKLKELAAAASSADEGASVAYKIKDLEGQVELDAAFTFSCQAEMIIFELSLRSLALEHHHHHH  --MKDVVDKCSTKGCAIDIGTVIDNDNCTSKFSRFFATREEAESFMTKLKELAAAASSADEGASVAYKIKDLEGQVELDAAFTFSCQAEMIIFELSLRSLA--------    AGEIGFIIKE-----------------------GDEVADVTIFAETKDALESELAKYIELAKSVCAG---VEYNVSELTEES---KELTARFKFEVSAEKLIFELKTRSLARLEHHHHHH  ----------MKDVVDKCSTKGCAIDIGTVIDNDNCTSKFSRFFATREEAESFMTKLKELAAAASSADEGASVAYK-IK-DLEGQVELDAAFTFSCQAEMIIFELSLRSLA---------    PVFKPFEVIFEDEADIVEIVDALRPLRMSNTIPNSVVIASTLWEAGSAHLTRAQYTTEPGHTPDSVIKQMQKDTGMGAWNLYAALYGTQEQVDVNWKIVTDVFKKLGKGRIVTQEEAGDTQPFKYRAQLMSGVPNLQEFGLYNWRGG------------------------GGSMWFAPVSEARGSECKKQAAMAKRVLHK--Y----GLDYVAEFIVAPRDMHHVIDVLYDRTNPEETKRADACF-NELLDEFEKEGYAVYRVNTRFQDRVAQSYGPVKRKLEHAIKRAVDPNNILAPGRSGIDLNNDF  ---------------------------------------------------------------------------------------------------------------------------------------------------MKDVVDKCSTKGCAIDIGTVIDNDNCTSKFSRFFAT-REEAESFMTKLKELA-AAASSADEGASVAYKIKDLEGQVELDAAFTFSCQ----AE-MIIFELSLRSL--A-------------------------------------------------------    EFRPLTLPPKLSLSDFNEFIQDIIRIVGSENVEVISVDGSYMKPTHTHDPT--------------------HVMDQDYFLASAIVAPRNVADVQSIVGLANKFSFPLWPISIGRNSGYGGAAPRVSGSVVLDMGKNMNRVLEVNVEGAYCVVEPGVTYHDLHNYLEANNLRDKLWLDVPDLGGGSVLGNAVERGVGYTPYGDHWMMHSGMEVVLANGELLRTGMGALPDPKRPETMGLKPEDQPWSKIAHLFPYGFGPYIDGLFSQSNMGIVTKIGIWLMPNPGGYQSYLITLPKDGDLKQAVDIIRPLRLGMALQNVPTIRHILLDAAVLGDKRSYSSRTEPLSDEELDKIAKQLNLGRWNFYGALYGPEPIRRVLWETIKDAFSAIPGVKFYFPEDTPENSVLRVRDKTMQGIPTYDELKWIDWLPNGAHLFFSPIAKVSGEDAMMQYAVTKKRCQEAG-----LDFIGTFTVGMREMHHIVCIVFNKKDLIQKRKVQWLMRTLIDDCAANGWGEYRTHLAFMDQIMETYNWNNSSFLRFNEVLKNAVDPNGIIAPGKSGVWPSQYSHVTWKL  ---------------------------------------------------MKDVVDKCSTKGCAIDIGTVIDN--------------------------------------------D----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NCTSKFSRFFATRE-EAESFMTKLKELAAAASSADEGASVAYKIKDLEGQVELDAAFTFS-----CQAEMIIFELSLRSLA-----------------------------------------------------------------    SMELLI-------------------IKERRIDYDGSAIRSHWAYRNFGILGDSLVVFRGKCNVKVEEMVDIEDLRLRKEIKGDDMVHYILELFWHPDILLASSLQKLLIARLVELLWNYGIEASRRGDDIYVNGRKLSISIATVSPVSIKIHIGLNVKTVGVPPGVDAIGLEELGIDPTEFMERSAKALVEEIEKVRKDSLKVRWVT  ------MKDVVDKCSTKGCAIDIGTVIDND----------------------------N------------------------CTSKFSRFF-A-----TR-EEAESFMTKLKELAAAASSAD--------EG--ASVAYKIKDLEGQVELDAAFTF-------------SC--QAEMIIFELSLRSL-A-----------------    GLILQSISNDVYHNLAVEDWIHDHMNLEGKPVLFLW---------------------RNSPTVVIGRHQNPWQECNLNLMREEGVKLARRRSGGGTVYHDMGNINLTFFTTKKKYDRMENLKLVVRALKAVHPHLDVQATKRFDLLLDGQFKISGTASKIGRNAAYHHCTLLCGTDGTFLSSLLKSPYQGIRSNATASTPALVKNLMEKDPTLTCEVVINAVATEYATSHQIDNHIHLINPTDETVFPGINSKAIELQTWEWIYGKTPK  ------------------------------------MKDVVDKCSTKGCAIDIGTVIDND----------------------------------------NCTSKFSRFFATREEAE-SFMTKLKELAAAAS--S-----------ADE-GASVAYKIKDLEGQVELDAAFTF-------------------------------S-C---QAE-MIIFELSLRSLA-------------------------------------------    MEINGVEIEDT---------------------FAEAFEAKMARVLITAASHKWAMIAVKEATGFGTSVIMCPAEAGIDCGYVPPEETPDGRPGVTIMIGHNDEDELKEQLLDRIGQCVMTAPTASAFDAMPEAEKEDEDRVGYKLSFFGDGYQEEDELDGRKVWKIPVVEGEFIVEDSFGITTGVAGGNFYIMAESQPAGLQAAEAAVDAIKGVEG---AYAPFPGGIVASASKVGSKQYDFLPASTNDAYCPTVEDNELPEGVKCVYEIVINGLNEEAVKEAMRVGIEAACQQPGVVKISAGNFGGKLGQYEIHLHDLF  -----------MKDVVDKCSTKGCAIDIGTVIDNDN----------------------------------------------------------------------------------------------------------------------------------------------------C-TSKFSRFFATREEAESFMTKLKELAAAASSADEGASVA---YKIK--------------------DLE---------GQVELDAAFTFSCQAEMIIFELSLRSL-A----------------------------    STLRLLIS-------------------DSYDPWFNLAVEECIFRQPATQRVLFL-WRNADTVVIGRAQNPWKECNTRREEDNVRLARRSSGGGAVFHDLGNTCFTFAGKPEYDKTISTSIVLNALNALGVSAEASGRNDLVVKTVEGDRKVSGSAYRETKDRGFHHGTLLLNADLSRLANYLNPDKKKLAAKGRVTNLTELLPGITHEQVCEAITEAFFAHYGERVEAEIISPNKTPDLPNFAETFARQSSWEWNFG  --------MKDVVDKCSTKGCAIDIGTV--------------------------IDN-D---------------------------------------NCTSKFSRFFATREEAESFMTKLKELAAAASSAD---------EG------ASVAYKIKDLEGQVELDAAFTF--------------------------SC----QAEMIIFELSLRSLA---------------------------------------    R--------------------PPLDERSLRDQLIGAGSGWRQLDVVAQTGSTNADLLARAASGADIDGVVLIAEHQTTARAQIILSVGVRVVDVPVQAWGWLSLAAGLAVLDSVAPLIAVPPAETGLKWPNDVLARGGKLAGILAEVAQPFVVLGVGLNVTQATSLLDLGVAAPDRNRIASRLLRELEARIIQWRNANPQLAADYRARSLTIGSRVRVELPGGQDVVGIARDIDDQGRLCLDVGGRTVVVSAGDVVHL  -MKDVVDKCSTKGCAIDIGTVIDN------------------------------------------------------DNCTSKFSRFF-A-------TREEAESFMTKLKELAAAASSA---DE---------G---ASVAYKIKDLEGQVELDAAFTF------S---CQAEMI-IFELSLRSL-A----------------------------------------------------------------------    ILTVLEQSQVSPPPDTLGDKSLQLTFFDFFWLRSPPINNLFFYELPITRSQFTETVVPNIKHSLSITLKHFYPFVGKLVVYPAPTKKPEICYVEGDSVAVTFAECNLDLNELTGN---------------------HPRNCDKFYDLVPILGESTRLSDCIKIPLFSVQVTLFPNQGIAIGITNHHCLGDASTRFCFLKAWTSIARSGNNDESFLANGTRPLYDRIIKYPMLDEAYLKRAKVESFNEDYVTQSLAGPSDKLRATFILTRAVINQLKDRVLAQLPTLEYV-SSFTVACAYIWSCIAKSRNDKLQLFGFPIDRRARMKPPIPTAYFGNCVGGCAAIAKTNLLIGKEGFITAAKLIGENLHKTLTDYKDGVLKDNDLVSEGMPTTMTWVSGTPKLRFYDMDFGWGKPKKLETVSIDHNGAISINSCKESN---EDLEIGVCI-SATQMEDFVHIFDDGL  -------------------------------------------------------------------------------------------------------------------MKDVVDKCSTKGCAIDIGTVIDNDN------------------------------------------------------------------------------------------------------------------------CTSKFSRFFA--T----------------REEAESFMTKLKELAAAAS-S--------------------------------------------------------------------------------ADEG-------------------------------ASVAYKIK--DLEGQVELDAAFTFSCQAEMIIFELSLRSLA

(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	0.5614	3.06	0.12	0.79	0.9559	2qhvA	2.3.1.181
2	0.5373	4.02	0.12	0.88	0.9488	1u3xA	4.2.3.5
3	0.5247	3.67	0.12	0.85	0.9429	1umfC	4.2.3.5
4	0.5398	2.10	0.13	0.67	0.9412	2dtjA	2.7.2.4
5	0.5283	4.11	0.10	0.94	0.9358	1gc5A	2.7.1.147

(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	0.4905	2.28	0.23	0.62	3c5gB	1.04	GO:0003887 GO:0016829 GO:0030145 GO:0043169 GO:0043565 GO:0002376 GO:0002566 GO:0006260 GO:0006289 GO:0009058 GO:0009987 GO:0016446 GO:0033554 GO:0034960 GO:0034961 GO:0043283 GO:0043284 GO:0044249 GO:0048856 GO:0051716 GO:0005622 GO:0005623 GO:0005634 GO:0043229 GO:0044424
2	0.6047	2.82	0.10	0.83	2ewnB	0.99	GO:0003677 GO:0004077 GO:0005515 GO:0016564 GO:0006139 GO:0009058 GO:0009889 GO:0009987 GO:0043283 GO:0044249 GO:0044260 GO:0050794 GO:0060255 GO:0065007
3	0.5398	2.47	0.14	0.71	2rb7B	0.97	GO:0008237 GO:0008270 GO:0043169 GO:0046983 GO:0006508 GO:0009987 GO:0034960 GO:0043283 GO:0044237
4	0.5614	3.06	0.12	0.79	2qhvA	0.96	GO:0008415 GO:0033819 GO:0006464 GO:0006732 GO:0009058 GO:0009106 GO:0009107 GO:0009108 GO:0009987 GO:0034960 GO:0043412 GO:0044249 GO:0046483 GO:0005622 GO:0005623 GO:0005737
5	0.4513	2.87	0.20	0.64	2pn2A	0.94	GO:0006950
6	0.5398	2.10	0.13	0.67	2dtjA	0.94	GO:0004072 GO:0016597 GO:0019202 GO:0008652 GO:0009058 GO:0009067 GO:0009309 GO:0009987 GO:0019877 GO:0043648 GO:0044249 GO:0046394 GO:0046451
7	0.5283	4.11	0.10	0.94	1gc5A	0.94	GO:0000287 GO:0004340 GO:0019200 GO:0043843 GO:0006006 GO:0006066 GO:0006091 GO:0006096 GO:0009056 GO:0009987 GO:0016052 GO:0044260 GO:0044265 GO:0044275 GO:0046164 GO:0005622 GO:0005623 GO:0005737
8	0.5754	2.04	0.10	0.71	2vaoB	0.93	GO:0018465 GO:0050660 GO:0050662 GO:0009987 GO:0015945 GO:0034308 GO:0055114 GO:0005622 GO:0005623 GO:0005737 GO:0005777 GO:0043229 GO:0044444
9	0.5343	2.10	0.13	0.66	2gvzB	0.93	GO:0000287 GO:0004016 GO:0009975 GO:0006171 GO:0007154 GO:0007242 GO:0044237 GO:0046058 GO:0065007 GO:0005623 GO:0016020 GO:0016021
10	0.5331	3.46	0.11	0.84	1umfD	0.92	GO:0004107 GO:0006725 GO:0008652 GO:0009058 GO:0009073 GO:0009308 GO:0009309 GO:0009987 GO:0019438 GO:0046417

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:0003824 0.862    GO:0044237 0.862    GO:0005623 0.938 GO:0005488 0.766    GO:0009987 0.862    GO:0005622 0.845 GO:0016740 0.387    GO:0044238 0.768    GO:0005737 0.741 GO:0043167 0.387    GO:0044260 0.588    GO:0043229 0.656 GO:0046872 0.387    GO:0009058 0.485    GO:0043231 0.564 GO:0003676 0.295    GO:0044249 0.485    GO:0044444 0.460 GO:0016772 0.291    GO:0043283 0.395    GO:0032991 0.275 GO:0016829 0.289    GO:0034960 0.297    GO:0005634 0.196 GO:0003677 0.202    GO:0006139 0.295    GO:0042579 0.185 GO:0043169 0.201    GO:0006082 0.282    GO:0005777 0.185

(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: 28    PHE: 30    GLU: 41    PHE: 43    MET: 44    THR: 45    LYS: 46    LEU: 47    LYS: 48    GLU: 49    LEU: 50    ALA: 51    ALA: 52    ALA: 53    ALA: 54    SER: 55    SER: 56    ALA: 61    SER: 62    VAL: 63    ALA: 78    ALA: 79    PHE: 80    THR: 81    PHE: 82    CYS: 84    GLN: 85    ALA: 86    GLU: 87    MET: 88    ILE: 89    ILE: 90    PHE: 91    SER: 94    LEU: 95

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 2pcsA 0.4688 3.54 0.14 0.69 0.54 Download 28,30,41,43,44,45,46,47,48,49,50,51,52,53,54,55,56,61,62,63,78,79,80,81,82,84,85,86,87,88,89,90,91,94,95 (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.