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

-60-------70--------80
DTLLGRMLPQLVCRLVLRCSMD
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DTLLGRMLPQLVCRLVLRCSMD
--------10--------20--

Chain assignments

Content subtype: combined_18809_2m0h.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 22, Sequence coverage: 100.0%

     -60-------70--------80
     DTLLGRMLPQLVCRLVLRCSMD
     ||||||||||||||||||||||
     DTLLGRMLPQLVCRLVLRCSMD
     

   • Total number of assignments
     • ¹H chemical shifts: 133
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         71	CYS	HG	2.502
         77	CYS	HG	2.67

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	135	131	97.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	44	43	97.7

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	91	88	96.7

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	19	17	89.5

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)

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

Distance restraints

1. Saveframe: CNS/XPLOR_distance_constraints_3
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 22, Sequence coverage: 100.0%

     -60-------70--------80
     DTLLGRMLPQLVCRLVLRCSMD
     ||||||||||||||||||||||
     DTLLGRMLPQLVCRLVLRCSMD
     

   • Total number of restraints: 665
     • Intra-residue restraints, i = j : 390
     • Sequential restraints, | i - j | = 1 : 141
       • Backbone-backbone: 38
       • Backbone-side chain: 103
     • Medium range restraints, 1 < | i - j | < 5 : 128
       • Backbone-backbone: 37
       • Backbone-side chain: 90
       • Side chain-side chain: 1
     • Long range restraints, | i - j | >= 5 : 6
   • Weight of restraints: 1.0 (665)
     • Intra-residue restraints, i = j : 1.0 (390)
     • Sequential restraints, | i - j | = 1 : 1.0 (141)
       • Backbone-backbone: 1.0 (38)
       • Backbone-side chain: 1.0 (103)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (128)
       • Backbone-backbone: 1.0 (37)
       • Backbone-side chain: 1.0 (90)
       • Side chain-side chain: 1.0 (1)
     • Long range restraints, | i - j | >= 5 : 1.0 (6)
   • Potential type of restraints: square-well-parabolic (665)
     • Intra-residue restraints, i = j : square-well-parabolic (390)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (141)
       • Backbone-backbone: square-well-parabolic (38)
       • Backbone-side chain: square-well-parabolic (103)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (128)
       • Backbone-backbone: square-well-parabolic (37)
       • Backbone-side chain: square-well-parabolic (90)
       • Side chain-side chain: square-well-parabolic (1)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (6)
   • Range of distance target values: 2.75, 4.0 (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: OK
     • Experiment type: noe
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 22, Sequence coverage: 77.3%

       -60-------70--------80
       DTLLGRMLPQLVCRLVLRCSMD
        ||||||||||| ||||| |  
       .TLLGRMLPQLV.RLVLR.S  
       -60-------70--------  
       

     • Total number of restraints: 181
       • Intra-residue restraints, i = j : 47
       • Sequential restraints, | i - j | = 1 : 48
         • Backbone-backbone: 6
         • Backbone-side chain: 24
         • Side chain-side chain: 18
       • Medium range restraints, 1 < | i - j | < 5 : 66
         • Backbone-backbone: 21
         • Backbone-side chain: 45
       • Long range restraints, | i - j | >= 5 : 20
     • Weight of restraints: 1.0 (181)
       • Intra-residue restraints, i = j : 1.0 (47)
       • Sequential restraints, | i - j | = 1 : 1.0 (48)
         • Backbone-backbone: 1.0 (6)
         • Backbone-side chain: 1.0 (24)
         • Side chain-side chain: 1.0 (18)
       • Medium range restraints, 1 < | i - j | < 5 : 1.0 (66)
         • Backbone-backbone: 1.0 (21)
         • Backbone-side chain: 1.0 (45)
       • Long range restraints, | i - j | >= 5 : 1.0 (20)
     • Potential type of restraints: square-well-parabolic (181)
       • Intra-residue restraints, i = j : square-well-parabolic (47)
       • Sequential restraints, | i - j | = 1 : square-well-parabolic (48)
         • Backbone-backbone: square-well-parabolic (6)
         • Backbone-side chain: square-well-parabolic (24)
         • Side chain-side chain: square-well-parabolic (18)
       • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (66)
         • Backbone-backbone: square-well-parabolic (21)
         • Backbone-side chain: square-well-parabolic (45)
       • Long range restraints, | i - j | >= 5 : square-well-parabolic (20)
     • Range of distance target values: 2.75, 4.0 (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