Phyre Home Retrieve Phyre Job Id
Emailmdejesus@rockefeller.edu
DescriptionRVBD1889c_(-)_2138668_2139024
DateFri Aug 2 13:30:50 BST 2019
Unique Job ID93f10ef73a5d9532
SequenceMPRTNNDAWD ... Download FASTA
Job Typenormal
Job Expiry

Summary 

Top model
Image coloured by rainbow N → C terminus
Model dimensions (Å):X:32.859 Y:34.099 Z:52.942
Model (left) based on template d2uyoa1
Top template information
Fold:S-adenosyl-L-methionine-dependent methyltransferases
Superfamily:S-adenosyl-L-methionine-dependent methyltransferases
Family:ML2640-like
Confidence and coverage
Confidence:100.0% Coverage: 80%
94 residues ( 80% of your sequence) have been modelled with 100.0% confidence by the single highest scoring template.
3D viewing
Interactive 3D view in JSmol
For other options to view your downloaded structure offline see the FAQ

Sequence analysis 

Download FASTA version

Secondary structure and disorder prediction [Show] 

Domain analysis [Show] 

Detailed template information [Hide] 

 

#
Template Alignment Coverage3D Model Confidence
% i.d. Template Information
1d2uyoa1



100.0 47
Fold:S-adenosyl-L-methionine-dependent methyltransferases
Superfamily:S-adenosyl-L-methionine-dependent methyltransferases
Family:ML2640-like
2c3ieiD_



99.4 20
PDB header:transferase
Chain: D: PDB Molecule:leucine carboxyl methyltransferase 1;
PDBTitle: crystal structure of human leucine carboxylmethyltransferase-1 in2 complex with s-adenosyl homocysteine
3c3mntA_



99.3 22
PDB header:transferase
Chain: A: PDB Molecule:leucine carboxyl methyltransferase 1;
PDBTitle: crystal structure of human leucine carboxyl methyltransferase 1
4d1rjda_



99.3 16
Fold:S-adenosyl-L-methionine-dependent methyltransferases
Superfamily:S-adenosyl-L-methionine-dependent methyltransferases
Family:Leucine carboxy methyltransferase Ppm1
5c2zwaA_



98.7 15
PDB header:transferase
Chain: A: PDB Molecule:leucine carboxyl methyltransferase 2;
PDBTitle: crystal structure of trna wybutosine synthesizing enzyme2 tyw4
6c2qe6B_



92.0 24
PDB header:transferase
Chain: B: PDB Molecule:uncharacterized protein tfu_2867;
PDBTitle: crystal structure of a putative methyltransferase (tfu_2867) from2 thermobifida fusca yx at 1.95 a resolution
7c5fwaA_



60.2 11
PDB header:transferase
Chain: A: PDB Molecule:protein arginine n-methyltransferase 2;
PDBTitle: crystal structure of mus musculus protein arginine methyltransferase 22 with cp1
8d1f3la_



58.6 19
Fold:S-adenosyl-L-methionine-dependent methyltransferases
Superfamily:S-adenosyl-L-methionine-dependent methyltransferases
Family:Arginine methyltransferase
9c4y30B_



56.3 19
PDB header:transferase
Chain: B: PDB Molecule:protein arginine n-methyltransferase 6;
PDBTitle: crystal structure of human protein arginine methyltransferase prmt62 bound to sah and epz020411
10c5lkjA_



53.9 15
PDB header:transferase
Chain: A: PDB Molecule:histone-arginine methyltransferase carm1;
PDBTitle: crystal structure of mouse carm1 in complex with ligand sa684
11d1g6q1_



52.8 15
Fold:S-adenosyl-L-methionine-dependent methyltransferases
Superfamily:S-adenosyl-L-methionine-dependent methyltransferases
Family:Arginine methyltransferase
12c2v7eB_



49.7 15
PDB header:transferase
Chain: B: PDB Molecule:histone-arginine methyltransferase carm1;
PDBTitle: crystal structure of coactivator-associated arginine2 methyltransferase 1 (carm1), unliganded
13d1oria_



48.6 19
Fold:S-adenosyl-L-methionine-dependent methyltransferases
Superfamily:S-adenosyl-L-methionine-dependent methyltransferases
Family:Arginine methyltransferase
14d2fyta1



48.4 19
Fold:S-adenosyl-L-methionine-dependent methyltransferases
Superfamily:S-adenosyl-L-methionine-dependent methyltransferases
Family:Arginine methyltransferase
15c3b3jA_



47.7 15
PDB header:transferase
Chain: A: PDB Molecule:histone-arginine methyltransferase carm1;
PDBTitle: the 2.55 a crystal structure of the apo catalytic domain of2 coactivator-associated arginine methyl transferase i(carm1:28-507,3 residues 28-146 and 479-507 not ordered)
16c1orhA_



46.2 18
PDB header:transferase
Chain: A: PDB Molecule:protein arginine n-methyltransferase 1;
PDBTitle: structure of the predominant protein arginine methyltransferase prmt1
17c3giwA_



45.1 21
PDB header:unknown function
Chain: A: PDB Molecule:protein of unknown function duf574;
PDBTitle: crystal structure of a duf574 family protein (sav_2177) from2 streptomyces avermitilis ma-4680 at 1.45 a resolution
18c5fubA_



44.1 22
PDB header:transferase
Chain: A: PDB Molecule:protein arginine methyltransferase 2;
PDBTitle: crystal structure of zebrafish protein arginine methyltransferase 22 catalytic domain with sah
19c4hc4A_



43.2 19
PDB header:transferase
Chain: A: PDB Molecule:protein arginine n-methyltransferase 6;
PDBTitle: human hmt1 hnrnp methyltransferase-like protein 6 (s. cerevisiae)
20c6dnzA_



42.2 15
PDB header:gene regulation
Chain: A: PDB Molecule:arginine n-methyltransferase, putative;
PDBTitle: trypanosoma brucei prmt1 enzyme-prozyme heterotetrameric complex with2 adohcy
21c3r0qA_



not modelled 35.9 11
PDB header:transferase
Chain: A: PDB Molecule:probable protein arginine n-methyltransferase 4.2;
PDBTitle: a uniquely open conformation revealed in the crystal structure of2 arabidopsis thaliana protein arginine methyltransferase 10
22c4c4aA_



not modelled 29.9 26
PDB header:transferase
Chain: A: PDB Molecule:protein arginine n-methyltransferase 7;
PDBTitle: crystal structure of mouse protein arginine methyltransferase 7 in2 complex with sah
23c3c3jA_



not modelled 26.6 10
PDB header:isomerase
Chain: A: PDB Molecule:putative tagatose-6-phosphate ketose/aldose isomerase;
PDBTitle: crystal structure of tagatose-6-phosphate ketose/aldose isomerase from2 escherichia coli
24c3thgA_



not modelled 26.4 35
PDB header:protein binding
Chain: A: PDB Molecule:ribulose bisphosphate carboxylase/oxygenase activase 1,
PDBTitle: crystal structure of the creosote rubisco activase c-domain
25c3uqzB_



not modelled 24.8 24
PDB header:dna binding protein
Chain: B: PDB Molecule:dna processing protein dpra;
PDBTitle: x-ray structure of dna processing protein a (dpra) from streptococcus2 pneumoniae
26c4yajA_



not modelled 24.4 23
PDB header:ligase
Chain: A: PDB Molecule:alpha subunit of acetyl-coenzyme a synthetase
PDBTitle: ca. korarchaeum cryptofilum dinucleotide forming acetyl-coenzyme a2 synthetase 1 (apo form)
27c4m38A_



not modelled 23.0 12
PDB header:transferase/transferase substrate
Chain: A: PDB Molecule:protein arginine n-methyltransferase 7;
PDBTitle: crystal structure of trypanosoma brucei protein arginine2 methyltransferase 7 complex with adohcy and histone h4 peptide
28d1m6ia2



not modelled 21.8 14
Fold:FAD/NAD(P)-binding domain
Superfamily:FAD/NAD(P)-binding domain
Family:FAD/NAD-linked reductases, N-terminal and central domains
29c3wssA_



not modelled 21.4 19
PDB header:transferase
Chain: A: PDB Molecule:protein arginine n-methyltransferase 7;
PDBTitle: crystal structure of c.elegans prmt7 in complex with sah (p43212)
30c3k35D_



not modelled 20.8 4
PDB header:hydrolase
Chain: D: PDB Molecule:nad-dependent deacetylase sirtuin-6;
PDBTitle: crystal structure of human sirt6
31d1rssa_



not modelled 20.3 6
Fold:Ribosomal protein S7
Superfamily:Ribosomal protein S7
Family:Ribosomal protein S7
32c2e1mA_



not modelled 18.8 18
PDB header:oxidoreductase
Chain: A: PDB Molecule:l-glutamate oxidase;
PDBTitle: crystal structure of l-glutamate oxidase from streptomyces sp. x-119-6
33c3we0A_



not modelled 17.4 14
PDB header:oxidoreductase
Chain: A: PDB Molecule:l-amino acid oxidase/monooxygenase;
PDBTitle: l-amino acid oxidase/monooxygenase from pseudomonas sp. aiu 813
34d1d7ya2



not modelled 17.3 10
Fold:FAD/NAD(P)-binding domain
Superfamily:FAD/NAD(P)-binding domain
Family:FAD/NAD-linked reductases, N-terminal and central domains
35c2csuB_



not modelled 15.5 17
PDB header:structural genomics, unknown function
Chain: B: PDB Molecule:457aa long hypothetical protein;
PDBTitle: crystal structure of ph0766 from pyrococcus horikoshii ot3
36c6dnzB_



not modelled 15.3 26
PDB header:gene regulation
Chain: B: PDB Molecule:arginine n-methyltransferase, putative;
PDBTitle: trypanosoma brucei prmt1 enzyme-prozyme heterotetrameric complex with2 adohcy
37c3majA_



not modelled 14.5 26
PDB header:dna binding protein
Chain: A: PDB Molecule:dna processing chain a;
PDBTitle: crystal structure of putative dna processing protein dpra from2 rhodopseudomonas palustris cga009
38d1ojta2



not modelled 13.6 18
Fold:FAD/NAD(P)-binding domain
Superfamily:FAD/NAD(P)-binding domain
Family:FAD/NAD-linked reductases, N-terminal and central domains
39c3wz2C_



not modelled 13.5 12
PDB header:chaperone
Chain: C: PDB Molecule:uncharacterized protein;
PDBTitle: crystal structure of pyrococcus furiosus pbaa, an archaeal homolog of2 proteasome-assembly chaperone
40c3odpA_



not modelled 13.3 10
PDB header:isomerase
Chain: A: PDB Molecule:putative tagatose-6-phosphate ketose/aldose isomerase;
PDBTitle: crystal structure of a putative tagatose-6-phosphate ketose/aldose2 isomerase (nt01cx_0292) from clostridium novyi nt at 2.35 a3 resolution
41c3gtyS_



not modelled 13.1 20
PDB header:chaperone/ribosomal protein
Chain: S: PDB Molecule:30s ribosomal protein s7;
PDBTitle: promiscuous substrate recognition in folding and assembly activities2 of the trigger factor chaperone
42d1r74a_



not modelled 12.2 27
Fold:S-adenosyl-L-methionine-dependent methyltransferases
Superfamily:S-adenosyl-L-methionine-dependent methyltransferases
Family:Glycine N-methyltransferase
43c3g68A_



not modelled 12.1 23
PDB header:isomerase
Chain: A: PDB Molecule:putative phosphosugar isomerase;
PDBTitle: crystal structure of a putative phosphosugar isomerase (cd3275) from2 clostridium difficile 630 at 1.80 a resolution
44c5ol0B_



not modelled 12.1 8
PDB header:hydrolase
Chain: B: PDB Molecule:putative silent information regulator 2,putative silent
PDBTitle: structure of leishmania infantum silent information regulator 22 related protein 1 (lisir2rp1) in complex with acetylated p53 peptide
45c6cn0B_



not modelled 11.9 19
PDB header:transferase
Chain: B: PDB Molecule:16s rrna (guanine(1405)-n(7))-methyltransferase;
PDBTitle: 2.95 angstrom crystal structure of 16s rrna methylase from proteus2 mirabilis
46d1q1ra2



not modelled 11.8 20
Fold:FAD/NAD(P)-binding domain
Superfamily:FAD/NAD(P)-binding domain
Family:FAD/NAD-linked reductases, N-terminal and central domains
47d2csua1



not modelled 11.6 19
Fold:NAD(P)-binding Rossmann-fold domains
Superfamily:NAD(P)-binding Rossmann-fold domains
Family:CoA-binding domain
48c3zg6A_



not modelled 11.6 4
PDB header:hydrolase/inhibitor
Chain: A: PDB Molecule:nad-dependent protein deacetylase sirtuin-6;
PDBTitle: the novel de-long chain fatty acid function of human sirt6
49c3b89A_



not modelled 11.3 26
PDB header:transferase
Chain: A: PDB Molecule:16s rrna methylase;
PDBTitle: crystal structure of rrna methylase from escherichia coli
50c2a3nA_



not modelled 11.2 14
PDB header:sugar binding protein
Chain: A: PDB Molecule:putative glucosamine-fructose-6-phosphate aminotransferase;
PDBTitle: crystal structure of a putative glucosamine-fructose-6-phosphate2 aminotransferase (stm4540.s) from salmonella typhimurium lt2 at 1.353 a resolution
51c4iaoB_



not modelled 11.1 13
PDB header:hydrolase/transcription
Chain: B: PDB Molecule:nad-dependent histone deacetylase sir2;
PDBTitle: crystal structure of sir2 c543s mutant in complex with sid domain of2 sir4
52d1gdha2



not modelled 10.7 17
Fold:Flavodoxin-like
Superfamily:Formate/glycerate dehydrogenase catalytic domain-like
Family:Formate/glycerate dehydrogenases, substrate-binding domain
53c4a69A_



not modelled 10.6 15
PDB header:transcription
Chain: A: PDB Molecule:histone deacetylase 3,;
PDBTitle: structure of hdac3 bound to corepressor and inositol tetraphosphate
54c2amlB_



not modelled 10.5 23
PDB header:transferase
Chain: B: PDB Molecule:sis domain protein;
PDBTitle: crystal structure of lmo0035 protein (46906266) from listeria2 monocytogenes 4b f2365 at 1.50 a resolution
55d1xhca2



not modelled 10.4 15
Fold:FAD/NAD(P)-binding domain
Superfamily:FAD/NAD(P)-binding domain
Family:FAD/NAD-linked reductases, N-terminal and central domains
56d1rp0a1



not modelled 10.1 20
Fold:FAD/NAD(P)-binding domain
Superfamily:FAD/NAD(P)-binding domain
Family:Thi4-like
57c2yv2A_



not modelled 10.1 33
PDB header:ligase
Chain: A: PDB Molecule:succinyl-coa synthetase alpha chain;
PDBTitle: crystal structure of succinyl-coa synthetase alpha chain from2 aeropyrum pernix k1
58c5odcD_



not modelled 10.0 15
PDB header:oxidoreductase
Chain: D: PDB Molecule:methyl-viologen reducing hydrogenase subunit d;
PDBTitle: heterodisulfide reductase / [nife]-hydrogenase complex from2 methanothermococcus thermolithotrophicus at 2.3 a resolution
59d1xvaa_



not modelled 9.7 23
Fold:S-adenosyl-L-methionine-dependent methyltransferases
Superfamily:S-adenosyl-L-methionine-dependent methyltransferases
Family:Glycine N-methyltransferase
60c5zdcL_



not modelled 9.7 14
PDB header:hydrolase
Chain: L: PDB Molecule:poly adp-ribose glycohydrolase;
PDBTitle: crystal structure of poly(adp-ribose) glycohydrolase (parg) from2 deinococcus radiodurans in complex with adp-ribose (p32)
61c3wrwE_



not modelled 9.5 11
PDB header:transferase
Chain: E: PDB Molecule:tm-1 protein;
PDBTitle: crystal structure of the n-terminal domain of resistance protein
62d1dxla2



not modelled 9.2 18
Fold:FAD/NAD(P)-binding domain
Superfamily:FAD/NAD(P)-binding domain
Family:FAD/NAD-linked reductases, N-terminal and central domains
63c1zz0C_



not modelled 9.2 33
PDB header:hydrolase
Chain: C: PDB Molecule:histone deacetylase-like amidohydrolase;
PDBTitle: crystal structure of a hdac-like protein with acetate bound
64c5hijA_



not modelled 9.0 15
PDB header:transferase
Chain: A: PDB Molecule:glycine sarcosine n-methyltransferase;
PDBTitle: crystal structure of glycine sarcosine n-methyltransferase from2 methanohalophilus portucalensis in complex with betaine
65c3knzA_



not modelled 8.9 18
PDB header:sugar binding protein
Chain: A: PDB Molecule:putative sugar binding protein;
PDBTitle: crystal structure of putative sugar binding protein (np_459565.1) from2 salmonella typhimurium lt2 at 2.50 a resolution
66c6melA_



not modelled 8.9 29
PDB header:ligase
Chain: A: PDB Molecule:succinate--coa ligase subunit alpha;
PDBTitle: succinyl-coa synthase from campylobacter jejuni
67d2dlda2



not modelled 8.8 17
Fold:Flavodoxin-like
Superfamily:Formate/glycerate dehydrogenase catalytic domain-like
Family:Formate/glycerate dehydrogenases, substrate-binding domain
68c3pa8A_



not modelled 8.5 11
PDB header:toxin/peptide inhibitor
Chain: A: PDB Molecule:toxin b;
PDBTitle: structure of the c. difficile tcdb cysteine protease domain in complex2 with a peptide inhibitor
69c2z1dA_



not modelled 8.4 16
PDB header:metal binding protein
Chain: A: PDB Molecule:hydrogenase expression/formation protein hypd;
PDBTitle: crystal structure of [nife] hydrogenase maturation protein, hypd from2 thermococcus kodakaraensis
70c3ho6B_



not modelled 8.3 13
PDB header:toxin
Chain: B: PDB Molecule:toxin a;
PDBTitle: structure-function analysis of inositol hexakisphosphate-2 induced autoprocessing in clostridium difficile toxin a
71c5oj7A_



not modelled 8.1 22
PDB header:hydrolase
Chain: A: PDB Molecule:nad-dependent protein deacylase;
PDBTitle: sirtuin 4 orthologue from xenopus tropicalis in complex with adp-2 ribose
72c3pkiF_



not modelled 7.9 4
PDB header:hydrolase
Chain: F: PDB Molecule:nad-dependent deacetylase sirtuin-6;
PDBTitle: human sirt6 crystal structure in complex with adp ribose
73c3siiA_



not modelled 7.9 23
PDB header:hydrolase/hydrolase inhibitor
Chain: A: PDB Molecule:poly(adp-ribose) glycohydrolase;
PDBTitle: the x-ray crystal structure of poly(adp-ribose) glycohydrolase bound2 to the inhibitor adp-hpd from thermomonospora curvata
74c2fpgA_



not modelled 7.8 19
PDB header:ligase
Chain: A: PDB Molecule:succinyl-coa ligase [gdp-forming] alpha-chain,
PDBTitle: crystal structure of pig gtp-specific succinyl-coa synthetase in2 complex with gdp
75c6h1dA_



not modelled 7.8 22
PDB header:gene regulation
Chain: A: PDB Molecule:hemk methyltransferase family member 2;
PDBTitle: crystal structure of c21orf127-trmt112 in complex with sah
76c3busB_



not modelled 7.7 8
PDB header:transferase
Chain: B: PDB Molecule:methyltransferase;
PDBTitle: crystal structure of rebm
77c4kdcA_



not modelled 7.7 10
PDB header:transferase
Chain: A: PDB Molecule:3-demethylubiquinone-9 3-methyltransferase;
PDBTitle: crystal structure of ubig
78c5n6mA_



not modelled 7.6 21
PDB header:membrane protein
Chain: A: PDB Molecule:apolipoprotein n-acyltransferase;
PDBTitle: structure of the membrane integral lipoprotein n-acyltransferase lnt2 from p. aeruginosa
79d1nhpa2



not modelled 7.3 13
Fold:FAD/NAD(P)-binding domain
Superfamily:FAD/NAD(P)-binding domain
Family:FAD/NAD-linked reductases, N-terminal and central domains
80c6hxqA_



not modelled 7.3 19
PDB header:lyase
Chain: A: PDB Molecule:citryl-coa synthetase small subunit;
PDBTitle: structure of citryl-coa synthetase from hydrogenobacter thermophilus
81d1yzha1



not modelled 7.1 20
Fold:S-adenosyl-L-methionine-dependent methyltransferases
Superfamily:S-adenosyl-L-methionine-dependent methyltransferases
Family:TrmB-like
82c2nu8D_



not modelled 7.1 24
PDB header:ligase
Chain: D: PDB Molecule:succinyl-coa ligase [adp-forming] subunit alpha;
PDBTitle: c123at mutant of e. coli succinyl-coa synthetase
83c5btrB_



not modelled 7.0 9
PDB header:hydrolase/substrate
Chain: B: PDB Molecule:nad-dependent protein deacetylase sirtuin-1;
PDBTitle: crystal structure of sirt1 in complex with resveratrol and an amc-2 containing peptide
84d1gv4a2



not modelled 6.9 5
Fold:FAD/NAD(P)-binding domain
Superfamily:FAD/NAD(P)-binding domain
Family:FAD/NAD-linked reductases, N-terminal and central domains
85c2we7A_



not modelled 6.8 13
PDB header:oxidoreductase
Chain: A: PDB Molecule:xanthine dehydrogenase;
PDBTitle: crystal structure of mycobacterium tuberculosis rv0376c2 homologue from mycobacterium smegmatis
86d2d59a1



not modelled 6.8 10
Fold:NAD(P)-binding Rossmann-fold domains
Superfamily:NAD(P)-binding Rossmann-fold domains
Family:CoA-binding domain
87c1f8sA_



not modelled 6.7 27
PDB header:oxidoreductase
Chain: A: PDB Molecule:l-amino acid oxidase;
PDBTitle: crystal structure of l-amino acid oxidase from calloselasma2 rhodostoma, complexed with three molecules of o-aminobenzoate.
88c2hjhB_



not modelled 6.7 13
PDB header:hydrolase
Chain: B: PDB Molecule:nad-dependent histone deacetylase sir2;
PDBTitle: crystal structure of the sir2 deacetylase
89c5li3A_



not modelled 6.6 26
PDB header:signaling protein
Chain: A: PDB Molecule:acetoin utilization protein;
PDBTitle: crystal structure of hdac-like protein from p. aeruginosa in complex2 with a photo-switchable inhibitor.
90c2yr6A_



not modelled 6.5 25
PDB header:oxidoreductase
Chain: A: PDB Molecule:pro-enzyme of l-phenylalanine oxidase;
PDBTitle: crystal structure of l-phenylalanine oxidase from psuedomonas sp.p501
91c4gutA_



not modelled 6.3 20
PDB header:oxidoreductase
Chain: A: PDB Molecule:lysine-specific histone demethylase 1b;
PDBTitle: crystal structure of lsd2-npac
92d1to6a_



not modelled 6.2 22
Fold:Glycerate kinase I
Superfamily:Glycerate kinase I
Family:Glycerate kinase I
93d1xria_



not modelled 6.1 18
Fold:(Phosphotyrosine protein) phosphatases II
Superfamily:(Phosphotyrosine protein) phosphatases II
Family:Dual specificity phosphatase-like
94c2vvlD_



not modelled 6.0 13
PDB header:oxidoreductase
Chain: D: PDB Molecule:monoamine oxidase n;
PDBTitle: the structure of mao-n-d3, a variant of monoamine oxidase2 from aspergillus niger.
95c2hkoA_



not modelled 6.0 30
PDB header:oxidoreductase
Chain: A: PDB Molecule:lysine-specific histone demethylase 1;
PDBTitle: crystal structure of lsd1
96c2v1dA_



not modelled 6.0 30
PDB header:oxidoreductase/repressor
Chain: A: PDB Molecule:lysine-specific histone demethylase 1;
PDBTitle: structural basis of lsd1-corest selectivity in histone h32 recognition
97c2xagA_



not modelled 6.0 30
PDB header:transcription
Chain: A: PDB Molecule:lysine-specific histone demethylase 1;
PDBTitle: crystal structure of lsd1-corest in complex with para-bromo-2 (-)-trans-2-phenylcyclopropyl-1-amine
98c6pdmA_



not modelled 6.0 19
PDB header:transferase
Chain: A: PDB Molecule:protein arginine n-methyltransferase 9;
PDBTitle: crystal structure of human protein arginine methyltransferase 92 (prmt9)
99c2lehB_



not modelled 6.0 43
PDB header:protein binding
Chain: B: PDB Molecule:survival motor neuron protein;
PDBTitle: solution structure of the core smn-gemin2 complex

Binding site prediction 

Due to computational demand, binding site predictions are not run for batch jobs

If you want to predict binding sites, please manually submit your model of choice to 3DLigandSite