Solution Structure of the Human FAAP20 UBZ-Ubiquitin Complex
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | metal coordination | sing | 1:CYS11:SG | 3:ZN1:ZN |
2 | metal coordination | sing | 1:CYS14:SG | 3:ZN1:ZN |
3 | metal coordination | sing | 1:CYS34:SG | 3:ZN1:ZN |
4 | metal coordination | sing | 1:HIS30:NE2 | 3:ZN1:ZN |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 96.1 % (1355 of 1410) | 96.3 % (708 of 735) | 96.2 % (525 of 546) | 94.6 % (122 of 129) |
Backbone | 95.2 % (687 of 722) | 95.5 % (235 of 246) | 95.3 % (342 of 359) | 94.0 % (110 of 117) |
Sidechain | 97.1 % (780 of 803) | 96.7 % (473 of 489) | 97.7 % (295 of 302) | 100.0 % (12 of 12) |
Aromatic | 87.9 % (58 of 66) | 87.9 % (29 of 33) | 87.5 % (28 of 32) | 100.0 % (1 of 1) |
Methyl | 100.0 % (144 of 144) | 100.0 % (72 of 72) | 100.0 % (72 of 72) |
1. UBZ
SHMGAAALRS CPMCQKEFAP RLTQLDVDSH LAQCLAESTE DVTW2. Ubiquitin
SHMQIFVKTL TGKTITLEVE PSDTIENVKA KIQDKEGIPP DQQRLIFAGK QLEDGRTLSD YNIQKESTLH LVLRLRGGSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Ubiquitin | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | UBZ | natural abundance | 2 mM |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | UBZ | [U-100% 13C; U-100% 15N] | 0.8 mM | |
6 | Ubiquitin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
7 | sodium phosphate | natural abundance | 25 mM | |
8 | potassium chloride | natural abundance | 100 mM |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | Ubiquitin | [U-100% 13C; U-100% 15N] | 3 mM | |
10 | sodium phosphate | natural abundance | 25 mM | |
11 | potassium chloride | natural abundance | 100 mM | |
12 | UBZ | [U-100% 13C; U-100% 15N] | 3 mM |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
13 | Ubiquitin | natural abundance | 3 mM | |
14 | sodium phosphate | natural abundance | 25 mM | |
15 | potassium chloride | natural abundance | 100 mM | |
16 | UBZ | [U-100% 13C; U-100% 15N] | 3 mM |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
17 | Ubiquitin | [U-100% 13C; U-100% 15N] | 3 mM | |
18 | sodium phosphate | natural abundance | 25 mM | |
19 | potassium chloride | natural abundance | 100 mM | |
20 | UBZ | natural abundance | 3 mM |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
21 | Ubiquitin | [U-100% 13C; U-100% 15N] | 1 mM | |
22 | sodium phosphate | natural abundance | 25 mM | |
23 | potassium chloride | natural abundance | 100 mM | |
24 | UBZ | natural abundance | 2 mM |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
25 | UBZ | [U-100% 13C; U-100% 15N] | 0.8 mM | |
26 | Ubiquitin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
27 | sodium phosphate | natural abundance | 25 mM | |
28 | potassium chloride | natural abundance | 100 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Ubiquitin | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | UBZ | natural abundance | 2 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | UBZ | [U-100% 13C; U-100% 15N] | 0.8 mM | |
6 | Ubiquitin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
7 | sodium phosphate | natural abundance | 25 mM | |
8 | potassium chloride | natural abundance | 100 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
21 | Ubiquitin | [U-100% 13C; U-100% 15N] | 1 mM | |
22 | sodium phosphate | natural abundance | 25 mM | |
23 | potassium chloride | natural abundance | 100 mM | |
24 | UBZ | natural abundance | 2 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Ubiquitin | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | UBZ | natural abundance | 2 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Ubiquitin | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | UBZ | natural abundance | 2 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Ubiquitin | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | UBZ | natural abundance | 2 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Ubiquitin | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | UBZ | natural abundance | 2 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Ubiquitin | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | UBZ | natural abundance | 2 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Ubiquitin | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | UBZ | natural abundance | 2 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Ubiquitin | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | UBZ | natural abundance | 2 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Ubiquitin | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | UBZ | natural abundance | 2 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Ubiquitin | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | UBZ | natural abundance | 2 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | UBZ | [U-100% 13C; U-100% 15N] | 0.8 mM | |
6 | Ubiquitin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
7 | sodium phosphate | natural abundance | 25 mM | |
8 | potassium chloride | natural abundance | 100 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | UBZ | [U-100% 13C; U-100% 15N] | 0.8 mM | |
6 | Ubiquitin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
7 | sodium phosphate | natural abundance | 25 mM | |
8 | potassium chloride | natural abundance | 100 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | UBZ | [U-100% 13C; U-100% 15N] | 0.8 mM | |
6 | Ubiquitin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
7 | sodium phosphate | natural abundance | 25 mM | |
8 | potassium chloride | natural abundance | 100 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | UBZ | [U-100% 13C; U-100% 15N] | 0.8 mM | |
6 | Ubiquitin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
7 | sodium phosphate | natural abundance | 25 mM | |
8 | potassium chloride | natural abundance | 100 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | UBZ | [U-100% 13C; U-100% 15N] | 0.8 mM | |
6 | Ubiquitin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
7 | sodium phosphate | natural abundance | 25 mM | |
8 | potassium chloride | natural abundance | 100 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | UBZ | [U-100% 13C; U-100% 15N] | 0.8 mM | |
6 | Ubiquitin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
7 | sodium phosphate | natural abundance | 25 mM | |
8 | potassium chloride | natural abundance | 100 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | UBZ | [U-100% 13C; U-100% 15N] | 0.8 mM | |
6 | Ubiquitin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
7 | sodium phosphate | natural abundance | 25 mM | |
8 | potassium chloride | natural abundance | 100 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | UBZ | [U-100% 13C; U-100% 15N] | 0.8 mM | |
6 | Ubiquitin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
7 | sodium phosphate | natural abundance | 25 mM | |
8 | potassium chloride | natural abundance | 100 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | UBZ | [U-100% 13C; U-100% 15N] | 0.8 mM | |
6 | Ubiquitin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
7 | sodium phosphate | natural abundance | 25 mM | |
8 | potassium chloride | natural abundance | 100 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | UBZ | [U-100% 13C; U-100% 15N] | 0.8 mM | |
6 | Ubiquitin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
7 | sodium phosphate | natural abundance | 25 mM | |
8 | potassium chloride | natural abundance | 100 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | Ubiquitin | [U-100% 13C; U-100% 15N] | 3 mM | |
10 | sodium phosphate | natural abundance | 25 mM | |
11 | potassium chloride | natural abundance | 100 mM | |
12 | UBZ | [U-100% 13C; U-100% 15N] | 3 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
13 | Ubiquitin | natural abundance | 3 mM | |
14 | sodium phosphate | natural abundance | 25 mM | |
15 | potassium chloride | natural abundance | 100 mM | |
16 | UBZ | [U-100% 13C; U-100% 15N] | 3 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
17 | Ubiquitin | [U-100% 13C; U-100% 15N] | 3 mM | |
18 | sodium phosphate | natural abundance | 25 mM | |
19 | potassium chloride | natural abundance | 100 mM | |
20 | UBZ | natural abundance | 3 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | UBZ | [U-100% 13C; U-100% 15N] | 0.8 mM | |
6 | Ubiquitin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
7 | sodium phosphate | natural abundance | 25 mM | |
8 | potassium chloride | natural abundance | 100 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
25 | UBZ | [U-100% 13C; U-100% 15N] | 0.8 mM | |
26 | Ubiquitin | [U-100% 13C; U-100% 15N] | 0.8 mM | |
27 | sodium phosphate | natural abundance | 25 mM | |
28 | potassium chloride | natural abundance | 100 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_25230_2mur.nef |
Input source #2: Coordindates | 2mur.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 | True (see coodinates for details) |
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)
Ptnr_site_1 | Ptnr_site_2 | Redox_state_prediction_1 | Redox_state_prediction_2 | Distance (Å) |
---|---|---|---|---|
1:30:HIS:NE2 | 3:1:ZN:ZN | unknown | unknown | n/a |
1:34:CYS:SG | 3:1:ZN:ZN | unknown | unknown | n/a |
1:14:CYS:SG | 3:1:ZN:ZN | unknown | unknown | n/a |
1:11:CYS:SG | 3:1:ZN:ZN | unknown | unknown | n/a |
Non-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
C | 1 | ZN | ZINC ION | None |
Sequence alignments
--------10--------20--------30--------40---- SHMGAAALRSCPMCQKEFAPRLTQLDVDSHLAQCLAESTEDVTW |||||||||||||||||||||||||||||||||||||||||||| SHMGAAALRSCPMCQKEFAPRLTQLDVDSHLAQCLAESTEDVTW
-100-----110-------120-------130-------140-------150-------160-------170------ SHMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| SHMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG --------10--------20--------30--------40--------50--------60--------70--------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 44 | 0 | 0 | 100.0 |
B | B | 78 | 0 | 0 | 100.0 |
Content subtype: combined_25230_2mur.nef
Assigned chemical shifts
--------10--------20--------30--------40---- SHMGAAALRSCPMCQKEFAPRLTQLDVDSHLAQCLAESTEDVTW ||||||||||||||||||||||||||||||||||||||||||| .HMGAAALRSCPMCQKEFAPRLTQLDVDSHLAQCLAESTEDVTW
-100-----110-------120-------130-------140-------150-------160-------170------ SHMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| SHMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 188 | 176 | 93.6 |
1H chemical shifts | 247 | 234 | 94.7 |
15N chemical shifts | 48 | 44 | 91.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 88 | 80 | 90.9 |
1H chemical shifts | 87 | 82 | 94.3 |
15N chemical shifts | 42 | 40 | 95.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 100 | 96 | 96.0 |
1H chemical shifts | 160 | 152 | 95.0 |
15N chemical shifts | 6 | 4 | 66.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 25 | 25 | 100.0 |
1H chemical shifts | 25 | 25 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 14 | 12 | 85.7 |
1H chemical shifts | 15 | 13 | 86.7 |
15N chemical shifts | 1 | 1 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 358 | 346 | 96.6 |
1H chemical shifts | 488 | 476 | 97.5 |
15N chemical shifts | 87 | 78 | 89.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 156 | 147 | 94.2 |
1H chemical shifts | 159 | 155 | 97.5 |
15N chemical shifts | 75 | 70 | 93.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 202 | 199 | 98.5 |
1H chemical shifts | 329 | 321 | 97.6 |
15N chemical shifts | 12 | 8 | 66.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 50 | 50 | 100.0 |
1H chemical shifts | 50 | 50 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 18 | 16 | 88.9 |
1H chemical shifts | 18 | 16 | 88.9 |
Covalent bonds
Distance restraints
--------10--------20--------30--------40---- SHMGAAALRSCPMCQKEFAPRLTQLDVDSHLAQCLAESTEDVTW |||||||||||||||||||||||||||||||||||||||||| ..MGAAALRSCPMCQKEFAPRLTQLDVDSHLAQCLAESTEDVTW
-100-----110-------120-------130-------140-------150-------160-------170------ SHMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .HMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG
--------10--------20--------30--------40---- SHMGAAALRSCPMCQKEFAPRLTQLDVDSHLAQCLAESTEDVTW | | || | ||| |||||||||||| | | ........R.C...QK.F....TQL.VDSHLAQCLAES..D..W
-100-----110-------120-------130-------140-------150-------160-------170------ SHMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG ||||||| || | | | ||||||||||| |||| |||| | || | | || | || | ..MQIFVKT..GK.I.L.V...DTIENVKAKIQ..EGIP..QQRL.F.GK.L.....L.......ES.L.LV.R -100-----110-------120-------130-------140-------150-------160-------170--
Dihedral angle restraints
--------10--------20--------30--------40---- SHMGAAALRSCPMCQKEFAPRLTQLDVDSHLAQCLAESTEDVTW |||||| ||||||||||||||||||||||||||||| ........RSCPMC.KEFAPRLTQLDVDSHLAQCLAESTEDVTW
-100-----110-------120-------130-------140-------150-------160-------170------ SHMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .HMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRL -100-----110-------120-------130-------140-------150-------160-------170---