Properties

Disulfide bonds

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

Non-standard residues

Sequence alignments

• Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10--------20--------30--
GLLCYCRKGHCKRGGRVRGTCGIRFLYCCPRR
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GLLCYCRKGHCKRGGRVRGTCGIRFLYCCPRR

Chain assignments

Content subtype: combined_17731_2lew.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 32, Sequence coverage: 96.9%

     --------10--------20--------30--
     GLLCYCRKGHCKRGGRVRGTCGIRFLYCCPRR
      |||||||||||||||||||||||||||||||
     .LLCYCRKGHCKRGGRVRGTCGIRFLYCCPRR
     

   • Total number of assignments
     • ¹H chemical shifts: 183
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	200	183	91.5

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	69	64	92.8

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	131	119	90.8

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	11	11	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	15	13	86.7

   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: A

Covalent bonds

1. Saveframe: assembly
   • Status: OK

Distance restraints

1. Saveframe: CNS/XPLOR_distance_constraints_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 32, Sequence coverage: 84.4%

     --------10--------20--------30--
     GLLCYCRKGHCKRGGRVRGTCGIRFLYCCPRR
       ||||||||||| ||||||||||||||||  
     ..LCYCRKGHCKR.GRVRGTCGIRFLYCCP  
     --------10--------20--------30  
     

   • Total number of restraints: 269
     • Sequential restraints, | i - j | = 1 : 104
       • Backbone-backbone: 38
       • Backbone-side chain: 54
       • Side chain-side chain: 12
     • Medium range restraints, 1 < | i - j | < 5 : 36
       • Backbone-backbone: 1
       • Backbone-side chain: 15
       • Side chain-side chain: 20
     • Long range restraints, | i - j | >= 5 : 129
   • Weight of restraints: 1.0 (269)
     • Sequential restraints, | i - j | = 1 : 1.0 (104)
       • Backbone-backbone: 1.0 (38)
       • Backbone-side chain: 1.0 (54)
       • Side chain-side chain: 1.0 (12)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (36)
       • Backbone-backbone: 1.0 (1)
       • Backbone-side chain: 1.0 (15)
       • Side chain-side chain: 1.0 (20)
     • Long range restraints, | i - j | >= 5 : 1.0 (129)
   • Potential type of restraints: square-well-parabolic (269)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (104)
       • Backbone-backbone: square-well-parabolic (38)
       • Backbone-side chain: square-well-parabolic (54)
       • Side chain-side chain: square-well-parabolic (12)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (36)
       • Backbone-backbone: square-well-parabolic (1)
       • Backbone-side chain: square-well-parabolic (15)
       • Side chain-side chain: square-well-parabolic (20)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (129)
   • Range of distance target values: 2.12, 5.16 (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_4
     • Status: Warning
     • Experiment type: hbond
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 32, Sequence coverage: 25.0%
     • Total number of restraints: 12
       • Total hydrogen bond restraints: 12
     • Weight of restraints: 1.0 (12)
       • Total hydrogen bond restraints: 1.0 (12)
     • Potential type of restraints: square-well-parabolic (12)
       • Total hydrogen bond restraints: square-well-parabolic (12)
     • Range of distance target values: 1.75, 2.55 (Å)
     • Histogram of distance target values
     • Distance restraints per residue
       • Chain_ID: A
     • Distance restraints on contact map

Dihedral angle restraints

1. Saveframe: CNS/XPLOR_dihedral_3
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 32, Sequence coverage: 87.5%

     --------10--------20--------30--
     GLLCYCRKGHCKRGGRVRGTCGIRFLYCCPRR
      |||||||||||  ||||||||||||||||| 
     .LLCYCRKGHCK..GRVRGTCGIRFLYCCPR 
     --------10--------20--------30- 
     

   • Total number of restraints: 29
     • Phi angle constraints: 20
     • Chi1 angle constraints: 9
   • Total number of restraints per polymer type: 29
     • Protein: 29
   • Weight of restraints: 1.0 (29)
     • Phi angle constraints: 1.0 (20)
     • Chi1 angle constraints: 1.0 (9)
   • Potential type of restraints: square-well-parabolic (29)
     • Phi angle constraints: square-well-parabolic (20)
     • Chi1 angle constraints: square-well-parabolic (9)
   • Dihedral angle restraints per residue
     • Chain_ID: A