1 2D 13C-13C DARR 25 ms
Instrument
Bruker Avance - 900 MHz
Sample
State solid, Solvent system NA, Pressure 1 atm, Temperature 275 K, pH 7
| # | Name | Isotope labeling | Type | Concentration |
|---|
| 1 | YadA membrane anchor domain | [U-13C; U-15N] | | 11.5 M |
|---|
2 2D 13C-13C DARR 50 ms
Instrument
Bruker Avance - 900 MHz
Sample
State solid, Solvent system NA, Pressure 1 atm, Temperature 275 K, pH 7
| # | Name | Isotope labeling | Type | Concentration |
|---|
| 1 | YadA membrane anchor domain | [U-13C; U-15N] | | 11.5 M |
|---|
3 2D 13C-13C DARR 100 ms
Instrument
Bruker Avance - 900 MHz
Sample
State solid, Solvent system NA, Pressure 1 atm, Temperature 275 K, pH 7
| # | Name | Isotope labeling | Type | Concentration |
|---|
| 1 | YadA membrane anchor domain | [U-13C; U-15N] | | 11.5 M |
|---|
4 2D 13C-13C DARR-CP- 15 ms
Instrument
Bruker Avance - 900 MHz
Sample
State solid, Solvent system NA, Pressure 1 atm, Temperature 275 K, pH 7
| # | Name | Isotope labeling | Type | Concentration |
|---|
| 1 | YadA membrane anchor domain | [U-13C; U-15N] | | 11.5 M |
|---|
5 2D 13C-13C DARR-CP- 40 ms
Instrument
Bruker Avance - 900 MHz
Sample
State solid, Solvent system NA, Pressure 1 atm, Temperature 275 K, pH 7
| # | Name | Isotope labeling | Type | Concentration |
|---|
| 1 | YadA membrane anchor domain | [U-13C; U-15N] | | 11.5 M |
|---|
6 2D 13C-13C DARR-CP- 70 ms
Instrument
Bruker Avance - 900 MHz
Sample
State solid, Solvent system NA, Pressure 1 atm, Temperature 275 K, pH 7
| # | Name | Isotope labeling | Type | Concentration |
|---|
| 1 | YadA membrane anchor domain | [U-13C; U-15N] | | 11.5 M |
|---|
7 2D 13C-13C PDSD 15 ms
Instrument
Bruker Avance - 900 MHz
Sample
State solid, Solvent system NA, Pressure 1 atm, Temperature 275 K, pH 7
| # | Name | Isotope labeling | Type | Concentration |
|---|
| 1 | YadA membrane anchor domain | [U-13C; U-15N] | | 11.5 M |
|---|
8 2D 13C-13C PDSD 100 ms
Instrument
Bruker Avance - 900 MHz
Sample
State solid, Solvent system NA, Pressure 1 atm, Temperature 275 K, pH 7
| # | Name | Isotope labeling | Type | Concentration |
|---|
| 1 | YadA membrane anchor domain | [U-13C; U-15N] | | 11.5 M |
|---|
9 2D 1H-13C INEPT
Instrument
Bruker Avance - 700 MHz
Sample
State solid, Solvent system NA, Pressure 1 atm, Temperature 275 K, pH 7
| # | Name | Isotope labeling | Type | Concentration |
|---|
| 1 | YadA membrane anchor domain | [U-13C; U-15N] | | 11.5 M |
|---|
10 2D 13C-13C DREAM 1.5 ms
Instrument
Bruker Avance - 900 MHz
Sample
State solid, Solvent system NA, Pressure 1 atm, Temperature 275 K, pH 7
| # | Name | Isotope labeling | Type | Concentration |
|---|
| 1 | YadA membrane anchor domain | [U-13C; U-15N] | | 11.5 M |
|---|
11 2D 13C-13C DREAM AB
Instrument
Bruker Avance - 900 MHz
Sample
State solid, Solvent system NA, Pressure 1 atm, Temperature 275 K, pH 7
| # | Name | Isotope labeling | Type | Concentration |
|---|
| 1 | YadA membrane anchor domain | [U-13C; U-15N] | | 11.5 M |
|---|
12 2D 13C-13C DREAM BG
Instrument
Bruker Avance - 900 MHz
Sample
State solid, Solvent system NA, Pressure 1 atm, Temperature 275 K, pH 7
| # | Name | Isotope labeling | Type | Concentration |
|---|
| 1 | YadA membrane anchor domain | [U-13C; U-15N] | | 11.5 M |
|---|
13 2D 13C-13C Me-only 70 ms
Instrument
Bruker Avance - 900 MHz
Sample
State solid, Solvent system NA, Pressure 1 atm, Temperature 275 K, pH 7
| # | Name | Isotope labeling | Type | Concentration |
|---|
| 1 | YadA membrane anchor domain | [U-13C; U-15N] | | 11.5 M |
|---|
14 2D 13C-13C REDOR 1 ms
Instrument
Bruker Avance - 900 MHz
Sample
State solid, Solvent system NA, Pressure 1 atm, Temperature 275 K, pH 7
| # | Name | Isotope labeling | Type | Concentration |
|---|
| 1 | YadA membrane anchor domain | [U-13C; U-15N] | | 11.5 M |
|---|
15 2D 15N-13C NCA
Instrument
Bruker Avance - 900 MHz
Sample
State solid, Solvent system NA, Pressure 1 atm, Temperature 275 K, pH 7
| # | Name | Isotope labeling | Type | Concentration |
|---|
| 1 | YadA membrane anchor domain | [U-13C; U-15N] | | 11.5 M |
|---|
16 2D 15N-13C NCO
Instrument
Bruker Avance - 900 MHz
Sample
State solid, Solvent system NA, Pressure 1 atm, Temperature 275 K, pH 7
| # | Name | Isotope labeling | Type | Concentration |
|---|
| 1 | YadA membrane anchor domain | [U-13C; U-15N] | | 11.5 M |
|---|
17 2D NCACX
Instrument
Bruker Avance - 900 MHz
Sample
State solid, Solvent system NA, Pressure 1 atm, Temperature 275 K, pH 7
| # | Name | Isotope labeling | Type | Concentration |
|---|
| 1 | YadA membrane anchor domain | [U-13C; U-15N] | | 11.5 M |
|---|
18 2D NCOCX
Instrument
Bruker Avance - 900 MHz
Sample
State solid, Solvent system NA, Pressure 1 atm, Temperature 275 K, pH 7
| # | Name | Isotope labeling | Type | Concentration |
|---|
| 1 | YadA membrane anchor domain | [U-13C; U-15N] | | 11.5 M |
|---|
19 3D NCACX 25 ms
Instrument
Bruker Avance - 900 MHz
Sample
State solid, Solvent system NA, Pressure 1 atm, Temperature 275 K, pH 7
| # | Name | Isotope labeling | Type | Concentration |
|---|
| 1 | YadA membrane anchor domain | [U-13C; U-15N] | | 11.5 M |
|---|
20 3D NCOCX 25 ms
Instrument
Bruker Avance - 900 MHz
Sample
State solid, Solvent system NA, Pressure 1 atm, Temperature 275 K, pH 7
| # | Name | Isotope labeling | Type | Concentration |
|---|
| 1 | YadA membrane anchor domain | [U-13C; U-15N] | | 11.5 M |
|---|
21 3D NCACX 100 ms
Instrument
Bruker Avance - 600 MHz
Sample
State solid, Solvent system NA, Pressure 1 atm, Temperature 275 K, pH 7
| # | Name | Isotope labeling | Type | Concentration |
|---|
| 1 | YadA membrane anchor domain | [U-13C; U-15N] | | 11.5 M |
|---|
22 3D NCACX 200 ms
Instrument
Bruker Avance - 600 MHz
Sample
State solid, Solvent system NA, Pressure 1 atm, Temperature 275 K, pH 7
| # | Name | Isotope labeling | Type | Concentration |
|---|
| 1 | YadA membrane anchor domain | [U-13C; U-15N] | | 11.5 M |
|---|
23 3D NCOCX 200 ms
Instrument
Bruker Avance - 600 MHz
Sample
State solid, Solvent system NA, Pressure 1 atm, Temperature 275 K, pH 7
| # | Name | Isotope labeling | Type | Concentration |
|---|
| 1 | YadA membrane anchor domain | [U-13C; U-15N] | | 11.5 M |
|---|
24 3D NCACX 500 ms
Instrument
Bruker Avance - 600 MHz
Sample
State solid, Solvent system NA, Pressure 1 atm, Temperature 275 K, pH 7
| # | Name | Isotope labeling | Type | Concentration |
|---|
| 1 | YadA membrane anchor domain | [U-13C; U-15N] | | 11.5 M |
|---|
25 3D NCACB 3 ms
Instrument
Bruker Avance - 900 MHz
Sample
State solid, Solvent system NA, Pressure 1 atm, Temperature 275 K, pH 7
| # | Name | Isotope labeling | Type | Concentration |
|---|
| 1 | YadA membrane anchor domain | [U-13C; U-15N] | | 11.5 M |
|---|
Properties
| Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_18108_2lme.nef |
| Input source #2: Coordindates | 2lme.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
None
Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
None
Non-standard residues
None
Sequence alignments
- Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
GDQASWSHPQFEKGAHKFRQLDNRLDKLDTRVDKGLASSAALNSLFQPYGVGKVNFTAGVGGYRSSQALAIGSGYRVNESVALKAGVAYAGSSDVMYNAS
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GDQASWSHPQFEKGAHKFRQLDNRLDKLDTRVDKGLASSAALNSLFQPYGVGKVNFTAGVGGYRSSQALAIGSGYRVNESVALKAGVAYAGSSDVMYNAS
-----
FNIEW
|||||
FNIEW
Entity_assembly_ID (NMR): B vs Auth_asym_ID (model): B--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
GDQASWSHPQFEKGAHKFRQLDNRLDKLDTRVDKGLASSAALNSLFQPYGVGKVNFTAGVGGYRSSQALAIGSGYRVNESVALKAGVAYAGSSDVMYNAS
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GDQASWSHPQFEKGAHKFRQLDNRLDKLDTRVDKGLASSAALNSLFQPYGVGKVNFTAGVGGYRSSQALAIGSGYRVNESVALKAGVAYAGSSDVMYNAS
-----
FNIEW
|||||
FNIEW
Entity_assembly_ID (NMR): C vs Auth_asym_ID (model): C--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
GDQASWSHPQFEKGAHKFRQLDNRLDKLDTRVDKGLASSAALNSLFQPYGVGKVNFTAGVGGYRSSQALAIGSGYRVNESVALKAGVAYAGSSDVMYNAS
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GDQASWSHPQFEKGAHKFRQLDNRLDKLDTRVDKGLASSAALNSLFQPYGVGKVNFTAGVGGYRSSQALAIGSGYRVNESVALKAGVAYAGSSDVMYNAS
-----
FNIEW
|||||
FNIEW
Chain assignments
| Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
|---|
| A | A | 105 | 0 | 0 | 100.0 |
| B | B | 105 | 0 | 0 | 100.0 |
| C | C | 105 | 0 | 0 | 100.0 |
Content subtype: combined_18108_2lme.nef
| # | Content subtype | Saveframe | Status | # of rows (sets) | Experiment type | Sequence coverage (%) |
|---|
| 1 | Assigned chemical shifts | assigned_chem_shift_list_1 | Warning | 491 | | 89.5 (chain: A, length: 105) |
| 1 | Distance restraints | CNS/XPLOR_distance_constraints_3 | OK | 6045 (1) | undefined | 91.4 (chain: A, length: 105), 91.4 (chain: B, length: 105), 91.4 (chain: C, length: 105) |
| 2 | Distance restraints | CNS/XPLOR_distance_constraints_4 | OK | 426 (1) | hbond | 74.3 (chain: A, length: 105), 74.3 (chain: B, length: 105), 74.3 (chain: C, length: 105) |
| 1 | Dihedral angle restraints | CNS/XPLOR_dihedral_2 | OK | 360 (360) | . | 70.5 (chain: A, length: 105), 70.5 (chain: B, length: 105), 70.5 (chain: C, length: 105) |
Assigned chemical shifts
- Saveframe: assigned_chem_shift_list_1
- Total number of assignments
- 13C chemical shifts: 402
- 15N chemical shifts: 89
- Completeness of assignments
- Entity_assemble_ID: A
- Excluded Atom_ID in statistics
| Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
|---|
| 20 | GLN | CD | 179.695 |
| 23 | ASN | CG | 177.813 |
| 24 | ARG | CZ | 160.095 |
| 26 | ASP | CG | 179.62 |
| 29 | ASP | CG | 179.841 |
| 31 | ARG | CZ | 160.644 |
| 33 | ASP | CG | 178.801 |
| 43 | ASN | CG | 178.87 |
| 47 | GLN | CD | 179.223 |
| 48 | PRO | N | 132.351 |
| 49 | TYR | CZ | 158.617 |
| 56 | PHE | CG | 139.867 |
| 63 | TYR | CG | 129.433 |
| 63 | TYR | CZ | 158.266 |
| 64 | ARG | CZ | 159.645 |
| 67 | GLN | CD | 180.144 |
| 75 | TYR | CZ | 158.358 |
| 76 | ARG | CZ | 159.404 |
| 78 | ASN | CG | 176.192 |
| 79 | GLU | CD | 183.46 |
| 89 | TYR | CZ | 159.662 |
| 94 | ASP | CG | 179.842 |
| 97 | TYR | CZ | 158.709 |
| 98 | ASN | CG | 177.022 |
| 101 | PHE | CG | 139.113 |
| 102 | ASN | CG | 177.256 |
| 104 | GLU | CD | 183.589 |
- All atoms
| Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
|---|
| 13C chemical shifts | 452 | 376 | 83.2 |
| 15N chemical shifts | 121 | 88 | 72.7 |
- Backbone atoms
| Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
|---|
| 13C chemical shifts | 210 | 181 | 86.2 |
| 15N chemical shifts | 103 | 88 | 85.4 |
- Side chain atoms
| Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
|---|
| 13C chemical shifts | 242 | 195 | 80.6 |
| 15N chemical shifts | 18 | 0 | 0.0 |
- Methyl group atoms
| Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
|---|
| 13C chemical shifts | 52 | 49 | 94.2 |
- Aromatic group atoms
| Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
|---|
| 13C chemical shifts | 59 | 33 | 55.9 |
| 15N chemical shifts | 2 | 0 | 0.0 |
- Peptide bond of PRO
- A:48:PRO, CB: 31.899 ppm, CG: 27.241 ppm
- Peptide_bond (pred. by CS): trans
- Peptide_bond (coordinates): trans
- Rotameric state of ILE , LEU, and VAL
- A:21:LEU, CD1: 22.021 ppm, CD2: 22.021 ppm
- Rotameric_state (pred. by CS): gauche+ 50.0%, trans 50.0%, gauche- 0.0%
- Rotameric_state (coordinates): gauche+
- A:25:LEU, CD1: 23.929 ppm, CD2: 24.349 ppm
- Rotameric_state (pred. by CS): gauche+ 54.2%, trans 45.8%, gauche- 0.0%
- Rotameric_state (coordinates): gauche-
- A:28:LEU, CD1: 23.634 ppm, CD2: 26.298 ppm
- Rotameric_state (pred. by CS): gauche+ 76.6%, trans 23.4%, gauche- 0.0%
- Rotameric_state (coordinates): trans
- A:32:VAL, CG1: 21.9 ppm, CG2: 25.068 ppm
- Rotameric_state (pred. by CS): gauche+ 19.9%, trans 76.7%, gauche- 3.3%
- Rotameric_state (coordinates): gauche-
- A:36:LEU, CD1: 22.146 ppm, CD2: 22.146 ppm
- Rotameric_state (pred. by CS): gauche+ 50.0%, trans 50.0%, gauche- 0.0%
- Rotameric_state (coordinates): trans
- A:42:LEU, CD1: 21.241 ppm, CD2: 22.155 ppm
- Rotameric_state (pred. by CS): gauche+ 59.1%, trans 40.9%, gauche- 0.0%
- Rotameric_state (coordinates): gauche+
- A:45:LEU, CD1: 19.883 ppm, CD2: 26.816 ppm
- Rotameric_state (pred. by CS): gauche+ 94.3%, trans 5.7%, gauche- 0.0%
- Rotameric_state (coordinates): gauche-
- A:51:VAL, CG1: 21.45 ppm, CG2: 21.45 ppm
- Rotameric_state (pred. by CS): gauche+ 36.9%, trans 37.7%, gauche- 25.4%
- Rotameric_state (coordinates): gauche+
- A:54:VAL, CG1: 21.434 ppm, CG2: 21.434 ppm
- Rotameric_state (pred. by CS): gauche+ 37.1%, trans 37.5%, gauche- 25.4%
- Rotameric_state (coordinates): gauche+
- A:60:VAL, CG1: 17.902 ppm, CG2: 22.469 ppm
- Rotameric_state (pred. by CS): gauche+ 76.5%, trans 20.2%, gauche- 3.4%
- Rotameric_state (coordinates): gauche-
- A:69:LEU, CD1: 24.056 ppm, CD2: 24.056 ppm
- Rotameric_state (pred. by CS): gauche+ 50.0%, trans 50.0%, gauche- 0.0%
- Rotameric_state (coordinates): gauche+
- A:71:ILE, CD1: 14.228 ppm
- Rotameric_state (pred. by CS): gauche+ 4.2%, trans 85.4%, gauche- 10.4%
- Rotameric_state (coordinates): gauche+
- A:77:VAL, CG1: 21.477 ppm, CG2: 22.265 ppm
- Rotameric_state (pred. by CS): gauche+ 35.6%, trans 47.4%, gauche- 17.0%
- Rotameric_state (coordinates): gauche+
- A:81:VAL, CG1: 21.737 ppm, CG2: 21.737 ppm
- Rotameric_state (pred. by CS): gauche+ 33.3%, trans 42.6%, gauche- 24.0%
- Rotameric_state (coordinates): gauche+
- A:83:LEU, CD1: 26.255 ppm, CD2: 26.255 ppm
- Rotameric_state (pred. by CS): gauche+ 50.0%, trans 50.0%, gauche- 0.0%
- Rotameric_state (coordinates): gauche+
- A:87:VAL, CG1: 20.838 ppm, CG2: 21.723 ppm
- Rotameric_state (pred. by CS): gauche+ 44.6%, trans 37.2%, gauche- 18.2%
- Rotameric_state (coordinates): gauche+
- A:95:VAL, CG1: 20.615 ppm, CG2: 22.173 ppm
- Rotameric_state (pred. by CS): gauche+ 46.5%, trans 40.1%, gauche- 13.4%
- Rotameric_state (coordinates): trans
- A:103:ILE, CD1: 16.129 ppm
- Rotameric_state (pred. by CS): gauche+ 4.7%, trans 95.3%, gauche- 0.0%
- Rotameric_state (coordinates): trans
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S2 and NMR RMSD)
Distance restraints
- Saveframe: CNS/XPLOR_distance_constraints_3
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
GDQASWSHPQFEKGAHKFRQLDNRLDKLDTRVDKGLASSAALNSLFQPYGVGKVNFTAGVGGYRSSQALAIGSGYRVNESVALKAGVAYAGSSDVMYNAS
|| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
...AS......EKGAHKFRQLDNRLDKLDTRVDKGLASSAALNSLFQPYGVGKVNFTAGVGGYRSSQALAIGSGYRVNESVALKAGVAYAGSSDVMYNAS
-----
FNIEW
|||||
FNIEW
- Entity_assembly_ID: C, Chain length: 105, Sequence coverage: 91.4%
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
GDQASWSHPQFEKGAHKFRQLDNRLDKLDTRVDKGLASSAALNSLFQPYGVGKVNFTAGVGGYRSSQALAIGSGYRVNESVALKAGVAYAGSSDVMYNAS
|| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
...AS......EKGAHKFRQLDNRLDKLDTRVDKGLASSAALNSLFQPYGVGKVNFTAGVGGYRSSQALAIGSGYRVNESVALKAGVAYAGSSDVMYNAS
-----
FNIEW
|||||
FNIEW
- Total number of restraints: 6045
- Intra-residue restraints, i = j : 75
- Sequential restraints, | i - j | = 1 : 2307
- Backbone-backbone: 747
- Backbone-side chain: 1227
- Side chain-side chain: 333
- Medium range restraints, 1 < | i - j | < 5 : 951
- Backbone-backbone: 282
- Backbone-side chain: 462
- Side chain-side chain: 207
- Long range restraints, | i - j | >= 5 : 792
- Inter-chain restraints: 1920
- Weight of restraints: 1.0 (6045)
- Intra-residue restraints, i = j : 1.0 (75)
- Sequential restraints, | i - j | = 1 : 1.0 (2307)
- Backbone-backbone: 1.0 (747)
- Backbone-side chain: 1.0 (1227)
- Side chain-side chain: 1.0 (333)
- Medium range restraints, 1 < | i - j | < 5 : 1.0 (951)
- Backbone-backbone: 1.0 (282)
- Backbone-side chain: 1.0 (462)
- Side chain-side chain: 1.0 (207)
- Long range restraints, | i - j | >= 5 : 1.0 (792)
- Inter-chain restraints: 1.0 (1920)
- Potential type of restraints: square-well-parabolic (6045)
- Intra-residue restraints, i = j : square-well-parabolic (75)
- Sequential restraints, | i - j | = 1 : square-well-parabolic (2307)
- Backbone-backbone: square-well-parabolic (747)
- Backbone-side chain: square-well-parabolic (1227)
- Side chain-side chain: square-well-parabolic (333)
- Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (951)
- Backbone-backbone: square-well-parabolic (282)
- Backbone-side chain: square-well-parabolic (462)
- Side chain-side chain: square-well-parabolic (207)
- Long range restraints, | i - j | >= 5 : square-well-parabolic (792)
- Inter-chain restraints: square-well-parabolic (1920)
- Range of distance target values: 2.25, 4.5 (Å)
- Histogram of distance target values
- Distance restraints per residue
- Chain_ID: A
- Chain_ID: B
- Chain_ID: C
- Distance restraints on contact map
- Chain_ID_1: A - Chain_ID_2: A
- Chain_ID_1: B - Chain_ID_2: B
- Chain_ID_1: C - Chain_ID_2: C
- Chain_ID_1: A - Chain_ID_2: B
- Chain_ID_1: A - Chain_ID_2: C
- Chain_ID_1: B - Chain_ID_2: C
- Saveframe: CNS/XPLOR_distance_constraints_4
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
GDQASWSHPQFEKGAHKFRQLDNRLDKLDTRVDKGLASSAALNSLFQPYGVGKVNFTAGVGGYRSSQALAIGSGYRVNESVALKAGVAYAGSSDVMYNAS
||||||||||||||||||||||||||||||||| | |||||||||||||| ||||||| | | | | ||||||| |||||||
............KGAHKFRQLDNRLDKLDTRVDKGLASSAALNSL.....V.KVNFTAGVGGYRSS.ALAIGSG.R.N.S.A.KAGVAYA...DVMYNAS
-----
FNIEW
|||||
FNIEW
- Entity_assembly_ID: C, Chain length: 105, Sequence coverage: 74.3%
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
GDQASWSHPQFEKGAHKFRQLDNRLDKLDTRVDKGLASSAALNSLFQPYGVGKVNFTAGVGGYRSSQALAIGSGYRVNESVALKAGVAYAGSSDVMYNAS
||||||||||||||||||||||||||||||||| | |||||||||||||| ||||||| | | | | ||||||| |||||||
............KGAHKFRQLDNRLDKLDTRVDKGLASSAALNSL.....V.KVNFTAGVGGYRSS.ALAIGSG.R.N.S.A.KAGVAYA...DVMYNAS
-----
FNIEW
|||||
FNIEW
- Total number of restraints: 426
- Total hydrogen bond restraints: 426
- Long range: 156
- Inter-chain: 60
- Weight of restraints: 1.0 (426)
- Total hydrogen bond restraints: 1.0 (426)
- O...h-N: 1.0 (105)
- O...H-x: 1.0 (105)
- Long range: 1.0 (156)
- O...h-N: 1.0 (78)
- O...H-x: 1.0 (78)
- Inter-chain: 1.0 (60)
- O...h-N: 1.0 (30)
- O...H-x: 1.0 (30)
- Potential type of restraints: square-well-parabolic (426)
- Total hydrogen bond restraints: square-well-parabolic (426)
- O...h-N: square-well-parabolic (105)
- O...H-x: square-well-parabolic (105)
- Long range: square-well-parabolic (156)
- O...h-N: square-well-parabolic (78)
- O...H-x: square-well-parabolic (78)
- Inter-chain: square-well-parabolic (60)
- O...h-N: square-well-parabolic (30)
- O...H-x: square-well-parabolic (30)
- Range of distance target values: 1.9, 2.9 (Å)
- Histogram of distance target values
- Distance restraints per residue
- Chain_ID: A
- Chain_ID: B
- Chain_ID: C
- Distance restraints on contact map
- Chain_ID_1: A - Chain_ID_2: A
- Chain_ID_1: B - Chain_ID_2: B
- Chain_ID_1: C - Chain_ID_2: C
- Chain_ID_1: A - Chain_ID_2: B
- Chain_ID_1: A - Chain_ID_2: C
- Chain_ID_1: B - Chain_ID_2: C
Dihedral angle restraints
- Saveframe: CNS/XPLOR_dihedral_2
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
GDQASWSHPQFEKGAHKFRQLDNRLDKLDTRVDKGLASSAALNSLFQPYGVGKVNFTAGVGGYRSSQALAIGSGYRVNESVALKAGVAYAGSSDVMYNAS
|||||||||||||||||||||| ||||| |||||||||||| |||||||||||| |||||||||||| ||||| |
..............AHKFRQLDNRLDKLDTRVDKGL..SAALN.........KVNFTAGVGGYR.SQALAIGSGYRV..SVALKAGVAYAG..DVMYN.S
-----
FNIEW
|||||
FNIEW
- Entity_assembly_ID: C, Chain length: 105, Sequence coverage: 70.5%
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
GDQASWSHPQFEKGAHKFRQLDNRLDKLDTRVDKGLASSAALNSLFQPYGVGKVNFTAGVGGYRSSQALAIGSGYRVNESVALKAGVAYAGSSDVMYNAS
|||||||||||||||||||||| ||||| |||||||||||| |||||||||||| |||||||||||| ||||| |
..............AHKFRQLDNRLDKLDTRVDKGL..SAALN.........KVNFTAGVGGYR.SQALAIGSGYRV..SVALKAGVAYAG..DVMYN.S
-----
FNIEW
|||||
FNIEW
- Total number of restraints: 360
- Phi angle constraints: 180
- Psi angle constraints: 180
- Total number of restraints per polymer type: 360
- Weight of restraints: 1.0 (360)
- Phi angle constraints: 1.0 (180)
- Psi angle constraints: 1.0 (180)
- Potential type of restraints: square-well-parabolic (360)
- Phi angle constraints: square-well-parabolic (180)
- Psi angle constraints: square-well-parabolic (180)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
- Chain_ID: A
- Chain_ID: B
- Chain_ID: C
