BMRBj - BMREntryMaster

Found 1 Document (0.71 seconds)

BMRB: 18624

2LWF

Structure of N-terminal domain of a plant Grx

Authors

Assembly

N-terminal domain of a plant Grx

Entity

1. N-terminal domain of a plant Grx (polymer, Thiol state: all free), 119 monomers, 12888.48 Da Detail

MASAVKSLTE TELLPITEAD SIPSASGVYA VYDKSDELQF VGISRNIAAS VSAHLKSVPE LCGSVKVGIV EEPDKAVLTQ AWKLWIEEHI KVTGKVPPGN KSGNNTFVKV TLEHHHHHH

Formula weight

12888.48 Da

Source organism

Arabidopsis thaliana

Exptl. method

Refine. method

molecular dynamics, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.1 %, Completeness: 90.7 %, Completeness (bb): 91.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.7 % (1220 of 1345)	90.9 % (626 of 689)	90.3 % (483 of 535)	91.7 % (111 of 121)
Backbone	91.6 % (643 of 702)	92.5 % (221 of 239)	91.1 % (319 of 350)	91.2 % (103 of 113)
Sidechain	90.3 % (682 of 755)	90.0 % (405 of 450)	90.6 % (269 of 297)	100.0 % (8 of 8)
Aromatic	71.7 % (66 of 92)	71.7 % (33 of 46)	70.5 % (31 of 44)	100.0 % (2 of 2)
Methyl	96.8 % (149 of 154)	96.1 % (74 of 77)	97.4 % (75 of 77)

1. N-terminal domain of a plant Grx

MASAVKSLTE TELLPITEAD SIPSASGVYA VYDKSDELQF VGISRNIAAS VSAHLKSVPE LCGSVKVGIV EEPDKAVLTQ AWKLWIEEHI KVTGKVPPGN KSGNNTFVKV TLEHHHHHH

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	Nterm_Grx	[U-13C; U-15N]		0.5-1.0 mM
2	sodium phosphate	natural abundance		50 mM
3	DTT	natural abundance		10 mM
4	DSS	natural abundance		0.02 %
5	D2O	[U-2H]		0.1 v/v
6	H2O	natural abundance		90 %

LACS Plot; CA

Referencing offset: -0.24 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: -0.24 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: -0.04 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: 0.09 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2LWF, Strand ID: A Detail

Release date

2013-05-19

Citation

Solution structure of N-terminal domain of a plant glutaredoxin
Liu, X., Liu, S., Feng, Y., Liu, J., Avery, C., Deng, H., Hirschi, K.D., Wang, X., Cheng, N.
Not known

Related entities 1. N-terminal domain of a plant Grx, : 1 : 7 entities Detail

Interaction partners 1. N-terminal domain of a plant Grx, : 7 interactors Detail

More details for 7 interactors identified by 1 citations

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	Nterm_Grx	[U-13C; U-15N]		0.5-1.0 mM
2	sodium phosphate	natural abundance		50 mM
3	DTT	natural abundance		10 mM
4	DSS	natural abundance		0.02 %
5	D2O	[U-2H]		0.1 v/v
6	H2O	natural abundance		90 %

2 2D 1H-13C HSQC

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	Nterm_Grx	[U-13C; U-15N]		0.5-1.0 mM
2	sodium phosphate	natural abundance		50 mM
3	DTT	natural abundance		10 mM
4	DSS	natural abundance		0.02 %
5	D2O	[U-2H]		0.1 v/v
6	H2O	natural abundance		90 %

3 3D CBCA(CO)NH

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	Nterm_Grx	[U-13C; U-15N]		0.5-1.0 mM
2	sodium phosphate	natural abundance		50 mM
3	DTT	natural abundance		10 mM
4	DSS	natural abundance		0.02 %
5	D2O	[U-2H]		0.1 v/v
6	H2O	natural abundance		90 %

4 3D HNCA

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	Nterm_Grx	[U-13C; U-15N]		0.5-1.0 mM
2	sodium phosphate	natural abundance		50 mM
3	DTT	natural abundance		10 mM
4	DSS	natural abundance		0.02 %
5	D2O	[U-2H]		0.1 v/v
6	H2O	natural abundance		90 %

5 3D HNCACB

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	Nterm_Grx	[U-13C; U-15N]		0.5-1.0 mM
2	sodium phosphate	natural abundance		50 mM
3	DTT	natural abundance		10 mM
4	DSS	natural abundance		0.02 %
5	D2O	[U-2H]		0.1 v/v
6	H2O	natural abundance		90 %

6 3D HNCO

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	Nterm_Grx	[U-13C; U-15N]		0.5-1.0 mM
2	sodium phosphate	natural abundance		50 mM
3	DTT	natural abundance		10 mM
4	DSS	natural abundance		0.02 %
5	D2O	[U-2H]		0.1 v/v
6	H2O	natural abundance		90 %

7 3D HBHA(CO)NH

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	Nterm_Grx	[U-13C; U-15N]		0.5-1.0 mM
2	sodium phosphate	natural abundance		50 mM
3	DTT	natural abundance		10 mM
4	DSS	natural abundance		0.02 %
5	D2O	[U-2H]		0.1 v/v
6	H2O	natural abundance		90 %

8 3D HCCH-TOCSY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	Nterm_Grx	[U-13C; U-15N]		0.5-1.0 mM
2	sodium phosphate	natural abundance		50 mM
3	DTT	natural abundance		10 mM
4	DSS	natural abundance		0.02 %
5	D2O	[U-2H]		0.1 v/v
6	H2O	natural abundance		90 %

9 3D HCCH-COSY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	Nterm_Grx	[U-13C; U-15N]		0.5-1.0 mM
2	sodium phosphate	natural abundance		50 mM
3	DTT	natural abundance		10 mM
4	DSS	natural abundance		0.02 %
5	D2O	[U-2H]		0.1 v/v
6	H2O	natural abundance		90 %

10 3D CCH-TOCSY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	Nterm_Grx	[U-13C; U-15N]		0.5-1.0 mM
2	sodium phosphate	natural abundance		50 mM
3	DTT	natural abundance		10 mM
4	DSS	natural abundance		0.02 %
5	D2O	[U-2H]		0.1 v/v
6	H2O	natural abundance		90 %

11 3D 1H-15N TOCSY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	Nterm_Grx	[U-13C; U-15N]		0.5-1.0 mM
2	sodium phosphate	natural abundance		50 mM
3	DTT	natural abundance		10 mM
4	DSS	natural abundance		0.02 %
5	D2O	[U-2H]		0.1 v/v
6	H2O	natural abundance		90 %

12 3D 1H-15N NOESY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	Nterm_Grx	[U-13C; U-15N]		0.5-1.0 mM
2	sodium phosphate	natural abundance		50 mM
3	DTT	natural abundance		10 mM
4	DSS	natural abundance		0.02 %
5	D2O	[U-2H]		0.1 v/v
6	H2O	natural abundance		90 %

13 3D 1H-13C NOESY aliphatic

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	Nterm_Grx	[U-13C; U-15N]		0.5-1.0 mM
2	sodium phosphate	natural abundance		50 mM
3	DTT	natural abundance		10 mM
4	DSS	natural abundance		0.02 %
5	D2O	[U-2H]		0.1 v/v
6	H2O	natural abundance		90 %

14 3D 1H-13C NOESY aromatic

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	Nterm_Grx	[U-13C; U-15N]		0.5-1.0 mM
2	sodium phosphate	natural abundance		50 mM
3	DTT	natural abundance		10 mM
4	DSS	natural abundance		0.02 %
5	D2O	[U-2H]		0.1 v/v
6	H2O	natural abundance		90 %

NMR combined restraints 10 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_18624_2lwf.nef
Input source #2: Coordindates	2lwf.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

-------70--------80--------90-------100-------110-------120-------130-------140-------150-------160-
MASAVKSLTETELLPITEADSIPSASGVYAVYDKSDELQFVGISRNIAASVSAHLKSVPELCGSVKVGIVEEPDKAVLTQAWKLWIEEHIKVTGKVPPGN
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MASAVKSLTETELLPITEADSIPSASGVYAVYDKSDELQFVGISRNIAASVSAHLKSVPELCGSVKVGIVEEPDKAVLTQAWKLWIEEHIKVTGKVPPGN
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

------170-------180
KSGNNTFVKVTLEHHHHHH
|||||||||||||||||||
KSGNNTFVKVTLEHHHHHH
-------110---------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	119	0	0	100.0

Content subtype: combined_18624_2lwf.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1219		94.1 (chain: A, length: 119)
1	Distance restraints	CNS/XPLOR_distance_constraints_3	Warning	961 (1)	noe	91.6 (chain: A, length: 119)
2	Distance restraints	CNS/XPLOR_distance_constraints_7	Warning	45 (1)	noe	21.0 (chain: A, length: 119)
3	Distance restraints	CNS/XPLOR_distance_constraints_4	Warning	1674 (1)	noe	90.8 (chain: A, length: 119)
4	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	973 (1)	noe	91.6 (chain: A, length: 119)
5	Distance restraints	CNS/XPLOR_distance_constraints_5	Warning	757 (1)	noe	87.4 (chain: A, length: 119)
6	Distance restraints	CNS/XPLOR_distance_constraints_6	Warning	270 (1)	noe	31.9 (chain: A, length: 119)
7	Distance restraints	CNS/XPLOR_distance_constraints_8	OK	74 (1)	hbond	38.7 (chain: A, length: 119)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_9	OK	170 (170)	.	89.9 (chain: A, length: 119)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 119, Sequence coverage: 94.1%
- Total number of assignments
  - ¹H chemical shifts: 625
  - ¹³C chemical shifts: 483
  - ¹⁵N chemical shifts: 111
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- Peptide bond of PRO
- Tautomeric state of HIS
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_3
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 119, Sequence coverage: 91.6%
- Total number of restraints: 961
- Weight of restraints: 1.0 (961)
- Potential type of restraints: square-well-parabolic (961)
- Range of distance target values: 2.3, 4.15 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_7
  - Status: Warning
  - Experiment type: noe
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 119, Sequence coverage: 21.0%
  - Total number of restraints: 45
  - Weight of restraints: 1.0 (45)
  - Potential type of restraints: square-well-parabolic (45)
  - Range of distance target values: 2.3, 4.15 (Å)
  - Histogram of distance target values
  - Histogram of discrepancy in distance target values
  - Distance restraints per residue
    - Chain_ID: A
  - Distance restraints on contact map
  - Saveframe: CNS/XPLOR_distance_constraints_4
    - Status: Warning
    - Experiment type: noe
    - Sequence coverage of experimental data
      - Entity_assembly_ID: A, Chain length: 119, Sequence coverage: 90.8%
    - Total number of restraints: 1672
    - Weight of restraints: 1.0 (1672)
    - Potential type of restraints: square-well-parabolic (1672)
    - Range of distance target values: 2.3, 4.15 (Å)
    - Histogram of distance target values
    - Histogram of discrepancy in distance target values
    - Distance restraints per residue
      - Chain_ID: A
    - Distance restraints on contact map
    - Saveframe: CNS/XPLOR_distance_constraints_2
      - Status: Warning
      - Experiment type: noe
      - Sequence coverage of experimental data
        Entity_assembly_ID: A, Chain length: 119, Sequence coverage: 91.6%
        -------70--------80--------90-------100-------110-------120-------130-------140-------150-------160- MASAVKSLTETELLPITEADSIPSASGVYAVYDKSDELQFVGISRNIAASVSAHLKSVPELCGSVKVGIVEEPDKAVLTQAWKLWIEEHIKVTGKVPPGN |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ||| ..SAVKSLTETELLPITEADSIPSASGVYAVYDKSDELQFVGISRNIAASVSAHLKSVPELCGSVKVGIVEEPDKAVLTQAWKLWIEEHIKVTGKV.PGN -------70--------80--------90-------100-------110-------120-------130-------140-------150-------160- ------170-------180 KSGNNTFVKVTLEHHHHHH | |||||||||| | K..NNTFVKVTLE.H ------170------
      - Total number of restraints: 973
        Intra-residue restraints, i = j : 172
        Sequential restraints, | i - j | = 1 : 252
        Backbone-backbone: 40
        Backbone-side chain: 207
        Side chain-side chain: 5
        Medium range restraints, 1 < | i - j | < 5 : 245
        Backbone-backbone: 59
        Backbone-side chain: 172
        Side chain-side chain: 14
        Long range restraints, | i - j | >= 5 : 304
      - Weight of restraints: 1.0 (973)
        Intra-residue restraints, i = j : 1.0 (172)
        Sequential restraints, | i - j | = 1 : 1.0 (252)
        Backbone-backbone: 1.0 (40)
        Backbone-side chain: 1.0 (207)
        Side chain-side chain: 1.0 (5)
        Medium range restraints, 1 < | i - j | < 5 : 1.0 (245)
        Backbone-backbone: 1.0 (59)
        Backbone-side chain: 1.0 (172)
        Side chain-side chain: 1.0 (14)
        Long range restraints, | i - j | >= 5 : 1.0 (304)
      - Potential type of restraints: square-well-parabolic (973)
        Intra-residue restraints, i = j : square-well-parabolic (172)
        Sequential restraints, | i - j | = 1 : square-well-parabolic (252)
        Backbone-backbone: square-well-parabolic (40)
        Backbone-side chain: square-well-parabolic (207)
        Side chain-side chain: square-well-parabolic (5)
        Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (245)
        Backbone-backbone: square-well-parabolic (59)
        Backbone-side chain: square-well-parabolic (172)
        Side chain-side chain: square-well-parabolic (14)
        Long range restraints, | i - j | >= 5 : square-well-parabolic (304)
      - Range of distance target values: 2.3, 4.15 (Å)
      - Histogram of distance target values
      - Histogram of discrepancy in distance target values
      - Distance restraints per residue
        Chain_ID: A
      - Distance restraints on contact map
        Chain_ID_1: A - Chain_ID_2: A
      - Saveframe: CNS/XPLOR_distance_constraints_5
        Status: Warning
        Experiment type: noe
        Sequence coverage of experimental data
        Entity_assembly_ID: A, Chain length: 119, Sequence coverage: 87.4%
        -------70--------80--------90-------100-------110-------120-------130-------140-------150-------160- MASAVKSLTETELLPITEADSIPSASGVYAVYDKSDELQFVGISRNIAASVSAHLKSVPELCGSVKVGIVEEPDKAVLTQAWKLWIEEHIKVTGKVPPGN ||||||||||||||||||||||||||||| | | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ||| ...AVKSLTETELLPITEADSIPSASGVYAVY.K.D.LQFVGISRNIAASVSAHLKSVPELCGSVKVGIVEEPDKAVLTQAWKLWIEEHIKVTGKV.PGN -------70--------80--------90-------100-------110-------120-------130-------140-------150-------160- ------170-------180 KSGNNTFVKVTLEHHHHHH | |||||||||| K..NNTFVKVTLE ------170----
        Total number of restraints: 757
        Intra-residue restraints, i = j : 303
        Sequential restraints, | i - j | = 1 : 164
        Backbone-backbone: 26
        Backbone-side chain: 108
        Side chain-side chain: 30
        Medium range restraints, 1 < | i - j | < 5 : 113
        Backbone-backbone: 13
        Backbone-side chain: 61
        Side chain-side chain: 39
        Long range restraints, | i - j | >= 5 : 177
        Weight of restraints: 1.0 (757)
        Intra-residue restraints, i = j : 1.0 (303)
        Sequential restraints, | i - j | = 1 : 1.0 (164)
        Backbone-backbone: 1.0 (26)
        Backbone-side chain: 1.0 (108)
        Side chain-side chain: 1.0 (30)
        Medium range restraints, 1 < | i - j | < 5 : 1.0 (113)
        Backbone-backbone: 1.0 (13)
        Backbone-side chain: 1.0 (61)
        Side chain-side chain: 1.0 (39)
        Long range restraints, | i - j | >= 5 : 1.0 (177)
        Potential type of restraints: square-well-parabolic (757)
        Intra-residue restraints, i = j : square-well-parabolic (303)
        Sequential restraints, | i - j | = 1 : square-well-parabolic (164)
        Backbone-backbone: square-well-parabolic (26)
        Backbone-side chain: square-well-parabolic (108)
        Side chain-side chain: square-well-parabolic (30)
        Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (113)
        Backbone-backbone: square-well-parabolic (13)
        Backbone-side chain: square-well-parabolic (61)
        Side chain-side chain: square-well-parabolic (39)
        Long range restraints, | i - j | >= 5 : square-well-parabolic (177)
        Range of distance target values: 2.3, 4.15 (Å)
        Histogram of distance target values
        Histogram of discrepancy in distance target values
        Distance restraints per residue
        Chain_ID: A
        Distance restraints on contact map
        Chain_ID_1: A - Chain_ID_2: A
        Saveframe: CNS/XPLOR_distance_constraints_6
        Status: Warning
        Experiment type: noe
        Sequence coverage of experimental data
        Entity_assembly_ID: A, Chain length: 119, Sequence coverage: 31.9%
        Total number of restraints: 270
        Intra-residue restraints, i = j : 48
        Sequential restraints, | i - j | = 1 : 39
        Backbone-side chain: 16
        Side chain-side chain: 23
        Medium range restraints, 1 < | i - j | < 5 : 33
        Backbone-side chain: 8
        Side chain-side chain: 25
        Long range restraints, | i - j | >= 5 : 150
        Weight of restraints: 1.0 (270)
        Intra-residue restraints, i = j : 1.0 (48)
        Sequential restraints, | i - j | = 1 : 1.0 (39)
        Backbone-side chain: 1.0 (16)
        Side chain-side chain: 1.0 (23)
        Medium range restraints, 1 < | i - j | < 5 : 1.0 (33)
        Backbone-side chain: 1.0 (8)
        Side chain-side chain: 1.0 (25)
        Long range restraints, | i - j | >= 5 : 1.0 (150)
        Potential type of restraints: square-well-parabolic (270)
        Intra-residue restraints, i = j : square-well-parabolic (48)
        Sequential restraints, | i - j | = 1 : square-well-parabolic (39)
        Backbone-side chain: square-well-parabolic (16)
        Side chain-side chain: square-well-parabolic (23)
        Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (33)
        Backbone-side chain: square-well-parabolic (8)
        Side chain-side chain: square-well-parabolic (25)
        Long range restraints, | i - j | >= 5 : square-well-parabolic (150)
        Range of distance target values: 2.3, 4.15 (Å)
        Histogram of distance target values
        Histogram of discrepancy in distance target values
        Distance restraints per residue
        Chain_ID: A
        Distance restraints on contact map
        Saveframe: CNS/XPLOR_distance_constraints_8
        Status: OK
        Experiment type: hbond
        Sequence coverage of experimental data
        Entity_assembly_ID: A, Chain length: 119, Sequence coverage: 38.7%
        Total number of restraints: 74
        Total hydrogen bond restraints: 74
        O...H-x: 22
        O...h-N: 22
        Long range: 30
        O...H-x: 15
        O...h-N: 15
        Weight of restraints: 1.0 (74)
        Total hydrogen bond restraints: 1.0 (74)
        O...H-x: 1.0 (22)
        O...h-N: 1.0 (22)
        Long range: 1.0 (30)
        O...H-x: 1.0 (15)
        O...h-N: 1.0 (15)
        Potential type of restraints: square-well-parabolic (74)
        Total hydrogen bond restraints: square-well-parabolic (74)
        O...H-x: square-well-parabolic (22)
        O...h-N: square-well-parabolic (22)
        Long range: square-well-parabolic (30)
        O...H-x: square-well-parabolic (15)
        O...h-N: square-well-parabolic (15)
        Range of distance target values: 2.0, 3.0 (Å)
        Histogram of distance target values
        Distance restraints per residue
        Chain_ID: A
        Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_9
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 119, Sequence coverage: 89.9%
- Total number of restraints: 170
- Total number of restraints per polymer type: 170
- Weight of restraints: 1.0 (170)
- Potential type of restraints: square-well-parabolic (170)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords Nuclease