WSA major conformation
MAHHHHHHAM VIDHILKCVF DKICKIGTES VEAGRLIELS QEGGGGGGPL YFVVNVIEPC KKFSELTGLV FYLPTDSGEK MTESKSVLKS LTEKLKKIVE LIPSTSSAVP LIGKYMLFTK EFVESSIKIT EEVINTHHRS
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 71.9 % (1181 of 1643) | 81.4 % (691 of 849) | 55.3 % (363 of 656) | 92.0 % (127 of 138) |
Backbone | 76.4 % (634 of 830) | 89.9 % (257 of 286) | 62.1 % (254 of 409) | 91.1 % (123 of 135) |
Sidechain | 68.8 % (648 of 942) | 76.4 % (430 of 563) | 57.2 % (215 of 376) | 100.0 % (3 of 3) |
Aromatic | 30.8 % (37 of 120) | 51.7 % (31 of 60) | 10.0 % (6 of 60) | |
Methyl | 73.0 % (127 of 174) | 85.1 % (74 of 87) | 60.9 % (53 of 87) |
1. entity
MAHHHHHHAM VIDHILKCVF DKICKIGTES VEAGRLIELS QEGGGGGGPL YFVVNVIEPC KKFSELTGLV FYLPTDSGEK MTESKSVLKS LTEKLKKIVE LIPSTSSAVP LIGKYMLFTK EFVESSIKIT EEVINTHHRSSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 20 mM | |
2 | LPPG | natural abundance | 2 % | |
3 | D2O | [U-100% 2H] | 10 % | |
4 | H2O | [U-100% 2H] | 90 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 20 mM | |
2 | LPPG | natural abundance | 2 % | |
3 | D2O | [U-100% 2H] | 10 % | |
4 | H2O | [U-100% 2H] | 90 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 20 mM | |
2 | LPPG | natural abundance | 2 % | |
3 | D2O | [U-100% 2H] | 10 % | |
4 | H2O | [U-100% 2H] | 90 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 20 mM | |
2 | LPPG | natural abundance | 2 % | |
3 | D2O | [U-100% 2H] | 10 % | |
4 | H2O | [U-100% 2H] | 90 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 20 mM | |
2 | LPPG | natural abundance | 2 % | |
3 | D2O | [U-100% 2H] | 10 % | |
4 | H2O | [U-100% 2H] | 90 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 20 mM | |
2 | LPPG | natural abundance | 2 % | |
3 | D2O | [U-100% 2H] | 10 % | |
4 | H2O | [U-100% 2H] | 90 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 20 mM | |
2 | LPPG | natural abundance | 2 % | |
3 | D2O | [U-100% 2H] | 10 % | |
4 | H2O | [U-100% 2H] | 90 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 20 mM | |
2 | LPPG | natural abundance | 2 % | |
3 | D2O | [U-100% 2H] | 10 % | |
4 | H2O | [U-100% 2H] | 90 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_17991_2lkg.nef |
Input source #2: Coordindates | 2lkg.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
NoneSequence alignments
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MAHHHHHHAMVIDHILKCVFDKICKIGTESVEAGRLIELSQEGGGGGGPLYFVVNVIEPCKKFSELTGLVFYLPTDSGEKMTESKSVLKSLTEKLKKIVE |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MAHHHHHHAMVIDHILKCVFDKICKIGTESVEAGRLIELSQEGGGGGGPLYFVVNVIEPCKKFSELTGLVFYLPTDSGEKMTESKSVLKSLTEKLKKIVE -------110-------120-------130-------140 LIPSTSSAVPLIGKYMLFTKEFVESSIKITEEVINTHHRS |||||||||||||||||||||||||||||||||||||||| LIPSTSSAVPLIGKYMLFTKEFVESSIKITEEVINTHHRS
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 140 | 0 | 0 | 100.0 |
Content subtype: combined_17991_2lkg.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MAHHHHHHAMVIDHILKCVFDKICKIGTESVEAGRLIELSQEGGGGGGPLYFVVNVIEPCKKFSELTGLVFYLPTDSGEKMTESKSVLKSLTEKLKKIVE ||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||| .......HAMVIDHILKCVFDKICKIGTESVEAGRLIELSQEGG...GPLYFVVNVIEPCKKFSELTGLVFYLPTDSGEKMTESKSVLKSLTEKLKKIVE -------110-------120-------130-------140 LIPSTSSAVPLIGKYMLFTKEFVESSIKITEEVINTHHRS |||||||||||||||||||||||||||||||||||||||| LIPSTSSAVPLIGKYMLFTKEFVESSIKITEEVINTHHRS
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
35 | ARG | HH11 | 6.812 |
35 | ARG | NH1 | 87.786 |
130 | THR | HG1 | 1.222 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 849 | 687 | 80.9 |
13C chemical shifts | 656 | 334 | 50.9 |
15N chemical shifts | 140 | 126 | 90.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 286 | 256 | 89.5 |
13C chemical shifts | 280 | 129 | 46.1 |
15N chemical shifts | 135 | 122 | 90.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 563 | 431 | 76.6 |
13C chemical shifts | 376 | 205 | 54.5 |
15N chemical shifts | 5 | 4 | 80.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 91 | 78 | 85.7 |
13C chemical shifts | 91 | 54 | 59.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 60 | 27 | 45.0 |
13C chemical shifts | 60 | 1 | 1.7 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MAHHHHHHAMVIDHILKCVFDKICKIGTESVEAGRLIELSQEGGGGGGPLYFVVNVIEPCKKFSELTGLVFYLPTDSGEKMTESKSVLKSLTEKLKKIVE ||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||| .......HAMVIDHILKCVFDKICKIGTESVEAGRLIELSQEGG..GGPLYFVVNVIEPCKKFSELTGLVFYLPTDSGEKMTESKSVLKSLTEKLKKIVE -------110-------120-------130-------140 LIPSTSSAVPLIGKYMLFTKEFVESSIKITEEVINTHHRS |||||||||||||||||||||||||||||||||||||||| LIPSTSSAVPLIGKYMLFTKEFVESSIKITEEVINTHHRS
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MAHHHHHHAMVIDHILKCVFDKICKIGTESVEAGRLIELSQEGGGGGGPLYFVVNVIEPCKKFSELTGLVFYLPTDSGEKMTESKSVLKSLTEKLKKIVE |||||||||||||||||||||||||||||||| |||||||||||||||||||||||| |||||||||||||||||||||| ........AMVIDHILKCVFDKICKIGTESVEAGRLIELS........PLYFVVNVIEPCKKFSELTGLVFY......EKMTESKSVLKSLTEKLKKIVE --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140 LIPSTSSAVPLIGKYMLFTKEFVESSIKITEEVINTHHRS ||||||||||||||||||||||||||||||||||||| LIPSTSSAVPLIGKYMLFTKEFVESSIKITEEVINTH -------110-------120-------130-------