NMR structure of VirB9 C-terminal domain in complex with VirB7 N-terminal domain from Xanthomonas citri's T4SS.
GSHMNAKILK DRRYYYDYDY ATRTKKSWLI PSRVYDDGKF TYINMDLTRF PTGNFPAVFA REKEHAEDFL VNTTVEGNTL IVHGTYPFLV VRHGDNVVGL RRNKQKX
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 84.7 % (1315 of 1552) | 90.6 % (732 of 808) | 77.1 % (471 of 611) | 84.2 % (112 of 133) |
Backbone | 86.2 % (655 of 760) | 94.2 % (245 of 260) | 81.0 % (306 of 378) | 85.2 % (104 of 122) |
Sidechain | 83.2 % (759 of 912) | 88.9 % (487 of 548) | 74.8 % (264 of 353) | 72.7 % (8 of 11) |
Aromatic | 66.7 % (128 of 192) | 79.2 % (76 of 96) | 54.3 % (51 of 94) | 50.0 % (1 of 2) |
Methyl | 94.2 % (113 of 120) | 95.0 % (57 of 60) | 93.3 % (56 of 60) |
1. Xac VirB7NT
XTKPAPDFGG RWKHVNHFDE APTE2. Xac VirB9CT
GSHMNAKILK DRRYYYDYDY ATRTKKSWLI PSRVYDDGKF TYINMDLTRF PTGNFPAVFA REKEHAEDFL VNTTVEGNTL IVHGTYPFLV VRHGDNVVGL RRNKQKXSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Xac_VirB9CT | [U-99% 13C; U-99% 15N] | 0.500 mM | |
2 | Xac_VirB7NT | natural abundance | 1 mM | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | sodium acetate | [U-100% 2H] | 20 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | sodium azide | natural abundance | 1 % | |
7 | H2O | natural abundance | 90 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | TSP | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | TSP | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | TSP | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | TSP | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Xac_VirB9CT | [U-99% 13C; U-99% 15N] | 0.500 mM | |
2 | Xac_VirB7NT | natural abundance | 1 mM | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | sodium acetate | [U-100% 2H] | 20 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | sodium azide | natural abundance | 1 % | |
7 | H2O | natural abundance | 90 % |
Bruker Avance III - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Xac_VirB9CT | [U-99% 13C; U-99% 15N] | 0.500 mM | |
2 | Xac_VirB7NT | natural abundance | 1 mM | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | sodium acetate | [U-100% 2H] | 20 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | sodium azide | natural abundance | 1 % | |
7 | H2O | natural abundance | 90 % |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Xac_VirB9CT | [U-99% 13C; U-99% 15N] | 0.500 mM | |
2 | Xac_VirB7NT | natural abundance | 1 mM | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | sodium acetate | [U-100% 2H] | 20 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | sodium azide | natural abundance | 1 % | |
7 | H2O | natural abundance | 90 % |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Xac_VirB9CT | [U-99% 13C; U-99% 15N] | 0.500 mM | |
2 | Xac_VirB7NT | natural abundance | 1 mM | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | sodium acetate | [U-100% 2H] | 20 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | sodium azide | natural abundance | 1 % | |
7 | H2O | natural abundance | 90 % |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Xac_VirB9CT | [U-99% 13C; U-99% 15N] | 0.500 mM | |
2 | Xac_VirB7NT | natural abundance | 1 mM | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | sodium acetate | [U-100% 2H] | 20 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | sodium azide | natural abundance | 1 % | |
7 | H2O | natural abundance | 90 % |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Xac_VirB9CT | [U-99% 13C; U-99% 15N] | 0.500 mM | |
2 | Xac_VirB7NT | natural abundance | 1 mM | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | sodium acetate | [U-100% 2H] | 20 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | sodium azide | natural abundance | 1 % | |
7 | H2O | natural abundance | 90 % |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Xac_VirB9CT | [U-99% 13C; U-99% 15N] | 0.500 mM | |
2 | Xac_VirB7NT | natural abundance | 1 mM | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | sodium acetate | [U-100% 2H] | 20 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | sodium azide | natural abundance | 1 % | |
7 | H2O | natural abundance | 90 % |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Xac_VirB9CT | [U-99% 13C; U-99% 15N] | 0.500 mM | |
2 | Xac_VirB7NT | natural abundance | 1 mM | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | sodium acetate | [U-100% 2H] | 20 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | sodium azide | natural abundance | 1 % | |
7 | H2O | natural abundance | 90 % |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Xac_VirB9CT | [U-99% 13C; U-99% 15N] | 0.500 mM | |
2 | Xac_VirB7NT | natural abundance | 1 mM | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | sodium acetate | [U-100% 2H] | 20 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | sodium azide | natural abundance | 1 % | |
7 | H2O | natural abundance | 90 % |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Xac_VirB9CT | [U-99% 13C; U-99% 15N] | 0.500 mM | |
2 | Xac_VirB7NT | natural abundance | 1 mM | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | sodium acetate | [U-100% 2H] | 20 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | sodium azide | natural abundance | 1 % | |
7 | H2O | natural abundance | 90 % |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Xac_VirB9CT | [U-99% 13C; U-99% 15N] | 0.500 mM | |
2 | Xac_VirB7NT | natural abundance | 1 mM | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | sodium acetate | [U-100% 2H] | 20 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | sodium azide | natural abundance | 1 % | |
7 | H2O | natural abundance | 90 % |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Xac_VirB9CT | [U-99% 13C; U-99% 15N] | 0.500 mM | |
2 | Xac_VirB7NT | natural abundance | 1 mM | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | sodium acetate | [U-100% 2H] | 20 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | sodium azide | natural abundance | 1 % | |
7 | H2O | natural abundance | 90 % |
Bruker Avance III - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Xac_VirB9CT | [U-99% 13C; U-99% 15N] | 0.500 mM | |
2 | Xac_VirB7NT | natural abundance | 1 mM | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | sodium acetate | [U-100% 2H] | 20 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | sodium azide | natural abundance | 1 % | |
7 | H2O | natural abundance | 90 % |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Xac_VirB9CT | [U-99% 13C; U-99% 15N] | 0.500 mM | |
2 | Xac_VirB7NT | natural abundance | 1 mM | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | sodium acetate | [U-100% 2H] | 20 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | sodium azide | natural abundance | 1 % | |
7 | H2O | natural abundance | 90 % |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Xac_VirB9CT | [U-99% 13C; U-99% 15N] | 0.500 mM | |
2 | Xac_VirB7NT | natural abundance | 1 mM | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | sodium acetate | [U-100% 2H] | 20 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | sodium azide | natural abundance | 1 % | |
7 | H2O | natural abundance | 90 % |
Bruker Avance III - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Xac_VirB9CT | [U-99% 13C; U-99% 15N] | 0.500 mM | |
2 | Xac_VirB7NT | natural abundance | 1 mM | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | sodium acetate | [U-100% 2H] | 20 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | sodium azide | natural abundance | 1 % | |
7 | H2O | natural abundance | 90 % |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Xac_VirB9CT | [U-99% 13C; U-99% 15N] | 0.500 mM | |
2 | Xac_VirB7NT | natural abundance | 1 mM | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | sodium acetate | [U-100% 2H] | 20 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | sodium azide | natural abundance | 1 % | |
7 | H2O | natural abundance | 90 % |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Xac_VirB9CT | [U-99% 13C; U-99% 15N] | 0.500 mM | |
2 | Xac_VirB7NT | natural abundance | 1 mM | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | sodium acetate | [U-100% 2H] | 20 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | sodium azide | natural abundance | 1 % | |
7 | H2O | natural abundance | 90 % |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Xac_VirB9CT | [U-99% 13C; U-99% 15N] | 0.500 mM | |
2 | Xac_VirB7NT | natural abundance | 1 mM | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | sodium acetate | [U-100% 2H] | 20 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | sodium azide | natural abundance | 1 % | |
7 | H2O | natural abundance | 90 % |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Xac_VirB9CT | [U-99% 13C; U-99% 15N] | 0.500 mM | |
2 | Xac_VirB7NT | natural abundance | 1 mM | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | sodium acetate | [U-100% 2H] | 20 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | sodium azide | natural abundance | 1 % | |
7 | H2O | natural abundance | 90 % |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Xac_VirB9CT | [U-99% 13C; U-99% 15N] | 0.500 mM | |
2 | Xac_VirB7NT | natural abundance | 1 mM | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | sodium acetate | [U-100% 2H] | 20 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | sodium azide | natural abundance | 1 % | |
7 | H2O | natural abundance | 90 % |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Xac_VirB9CT | [U-99% 13C; U-99% 15N] | 0.500 mM | |
2 | Xac_VirB7NT | natural abundance | 1 mM | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | sodium acetate | [U-100% 2H] | 20 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | sodium azide | natural abundance | 1 % | |
7 | H2O | natural abundance | 90 % |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Xac_VirB9CT | [U-99% 13C; U-99% 15N] | 0.500 mM | |
2 | Xac_VirB7NT | natural abundance | 1 mM | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | sodium acetate | [U-100% 2H] | 20 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | sodium azide | natural abundance | 1 % | |
7 | H2O | natural abundance | 90 % |
Bruker Avance III - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Xac_VirB9CT | [U-99% 13C; U-99% 15N] | 0.500 mM | |
2 | Xac_VirB7NT | natural abundance | 1 mM | |
3 | D2O | [U-99% 2H] | 10 % | |
4 | sodium acetate | [U-100% 2H] | 20 mM | |
5 | sodium chloride | natural abundance | 50 mM | |
6 | sodium azide | natural abundance | 1 % | |
7 | H2O | natural abundance | 90 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_25512_2n01.nef |
Input source #2: Coordindates | 2n01.cif |
Diamagnetism of the molecular assembly | True (excluding Oxygen atoms) |
Whether the assembly has a disulfide bond | None |
Whether the assembly has a other bond | None |
Whether the assembly contains a cyclic polymer | None |
Overall data processing status | Warning |
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
A | 23 | ACE | ACETYL GROUP | Coordinates |
A | 47 | NH2 | AMINO GROUP | Coordinates |
Sequence alignments
------30--------40------- XTKPAPDFGGRWKHVNHFDEAPTEX ||||||||||||||||||||||||| XTKPAPDFGGRWKHVNHFDEAPTEX --------10--------20-----
150-----160-------170-------180-------190-------200-------210-------220-------230-------240-------25 GSHMNAKILKDRRYYYDYDYATRTKKSWLIPSRVYDDGKFTYINMDLTRFPTGNFPAVFAREKEHAEDFLVNTTVEGNTLIVHGTYPFLVVRHGDNVVGL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSHMNAKILKDRRYYYDYDYATRTKKSWLIPSRVYDDGKFTYINMDLTRFPTGNFPAVFAREKEHAEDFLVNTTVEGNTLIVHGTYPFLVVRHGDNVVGL --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 0----- RRNKQK |||||| RRNKQK ------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 25 | 0 | 0 | 100.0 |
B | B | 106 | 0 | 0 | 100.0 |
Content subtype: combined_25512_2n01.nef
Assigned chemical shifts
------30--------40------- XTKPAPDFGGRWKHVNHFDEAPTEX |||||||||||||||||||| | ..KPAPDFGGRWKHVNHFDEAP.E ------30--------40------
150-----160-------170-------180-------190-------200-------210-------220-------230-------240-------25 GSHMNAKILKDRRYYYDYDYATRTKKSWLIPSRVYDDGKFTYINMDLTRFPTGNFPAVFAREKEHAEDFLVNTTVEGNTLIVHGTYPFLVVRHGDNVVGL ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .SHMNAKILKDRRYYYDYDYATRTKKSWLIPSRVYDDGKFTYINMDLTRFPTGNFPAVFAREKEHAEDFLVNTTVEGNTLIVHGTYPFLVVRHGDNVVGL 0----- RRNKQK |||||| RRNKQK
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
36 | HIS | HD1 | 8.514 |
39 | HIS | HD1 | 8.512 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 145 | 127 | 87.6 |
13C chemical shifts | 108 | 0 | 0.0 |
15N chemical shifts | 24 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 46 | 41 | 89.1 |
13C chemical shifts | 46 | 0 | 0.0 |
15N chemical shifts | 21 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 99 | 86 | 86.9 |
13C chemical shifts | 62 | 0 | 0.0 |
15N chemical shifts | 3 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 7 | 4 | 57.1 |
13C chemical shifts | 7 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 20 | 16 | 80.0 |
13C chemical shifts | 19 | 0 | 0.0 |
15N chemical shifts | 1 | 0 | 0.0 |
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
162 | ARG | CZ | 159.765 |
182 | ARG | CZ | 159.65 |
193 | ASN | CG | 176.337 |
203 | ASN | CG | 177.809 |
210 | ARG | CZ | 159.56 |
221 | ASN | CG | 176.171 |
250 | ARG | CZ | 159.242 |
251 | ARG | CZ | 159.09 |
252 | ASN | CG | 175.154 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 667 | 617 | 92.5 |
13C chemical shifts | 505 | 461 | 91.3 |
15N chemical shifts | 120 | 114 | 95.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 215 | 209 | 97.2 |
13C chemical shifts | 212 | 200 | 94.3 |
15N chemical shifts | 102 | 100 | 98.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 452 | 408 | 90.3 |
13C chemical shifts | 293 | 261 | 89.1 |
15N chemical shifts | 18 | 14 | 77.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 56 | 53 | 94.6 |
13C chemical shifts | 56 | 54 | 96.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 76 | 58 | 76.3 |
13C chemical shifts | 75 | 51 | 68.0 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
------30--------40------- XTKPAPDFGGRWKHVNHFDEAPTEX |||||||||||||||||||| | ..KPAPDFGGRWKHVNHFDEAP.E ------30--------40------
150-----160-------170-------180-------190-------200-------210-------220-------230-------240-------25 GSHMNAKILKDRRYYYDYDYATRTKKSWLIPSRVYDDGKFTYINMDLTRFPTGNFPAVFAREKEHAEDFLVNTTVEGNTLIVHGTYPFLVVRHGDNVVGL ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ...........................WLIPSRVYDDGKFTYINMDLTRFPTGNFPAVFAREKEHAEDFLVNTTVEGNTLIVHGTYPFLVVRHGDNVVGL 0----- RRNKQK |||||| RRNKQK
Dihedral angle restraints
150-----160-------170-------180-------190-------200-------210-------220-------230-------240-------25 GSHMNAKILKDRRYYYDYDYATRTKKSWLIPSRVYDDGKFTYINMDLTRFPTGNFPAVFAREKEHAEDFLVNTTVEGNTLIVHGTYPFLVVRHGDNVVGL ||||||||||| ||||||||||||| |||||||||||||||||||||||||||||||||||| .....................................GKFTYINMDLT..PTGNFPAVFAREK.HAEDFLVNTTVEGNTLIVHGTYPFLVVRHGDNVVGL 0----- RRNKQK |||||| RRNKQK
150-----160-------170-------180-------190-------200-------210-------220-------230-------240-------25 GSHMNAKILKDRRYYYDYDYATRTKKSWLIPSRVYDDGKFTYINMDLTRFPTGNFPAVFAREKEHAEDFLVNTTVEGNTLIVHGTYPFLVVRHGDNVVGL ||||||||||| ||||||||||||| |||||||||||||||||||||||||||||||||||| .....................................GKFTYINMDLT..PTGNFPAVFAREK.HAEDFLVNTTVEGNTLIVHGTYPFLVVRHGDNVVGL 0----- RRNKQK |||||| RRNKQK