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

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DVRLAKTLGLVLAVLLICWFPVLALMAHSLATT
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DVRLAKTLGLVLAVLLICWFPVLALMAHSLATT

Chain assignments

Content subtype: combined_16268_2ki9.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 33, Sequence coverage: 97.0%

     --------10--------20--------30---
     DVRLAKTLGLVLAVLLICWFPVLALMAHSLATT
     |||||||||||||||||||||||||||||||| 
     DVRLAKTLGLVLAVLLICWFPVLALMAHSLAT 
     --------10--------20--------30-- 
     

   • Total number of assignments
     • ¹H chemical shifts: 175
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	190	175	92.1

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	66	60	90.9

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	124	115	92.7

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	37	35	94.6

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	13	12	92.3

   • 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_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 33, Sequence coverage: 97.0%

     --------10--------20--------30---
     DVRLAKTLGLVLAVLLICWFPVLALMAHSLATT
     |||||||||||||||||||||||||||||||| 
     DVRLAKTLGLVLAVLLICWFPVLALMAHSLAT 
     --------10--------20--------30-- 
     

   • Total number of restraints: 830
     • Intra-residue restraints, i = j : 248
     • Sequential restraints, | i - j | = 1 : 229
       • Backbone-backbone: 51
       • Backbone-side chain: 121
       • Side chain-side chain: 57
     • Medium range restraints, 1 < | i - j | < 5 : 322
       • Backbone-backbone: 54
       • Backbone-side chain: 178
       • Side chain-side chain: 90
     • Long range restraints, | i - j | >= 5 : 31
   • Weight of restraints: 1.0 (830)
     • Intra-residue restraints, i = j : 1.0 (248)
     • Sequential restraints, | i - j | = 1 : 1.0 (229)
       • Backbone-backbone: 1.0 (51)
       • Backbone-side chain: 1.0 (121)
       • Side chain-side chain: 1.0 (57)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (322)
       • Backbone-backbone: 1.0 (54)
       • Backbone-side chain: 1.0 (178)
       • Side chain-side chain: 1.0 (90)
     • Long range restraints, | i - j | >= 5 : 1.0 (31)
   • Potential type of restraints: square-well-parabolic (830)
     • Intra-residue restraints, i = j : square-well-parabolic (248)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (229)
       • Backbone-backbone: square-well-parabolic (51)
       • Backbone-side chain: square-well-parabolic (121)
       • Side chain-side chain: square-well-parabolic (57)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (322)
       • Backbone-backbone: square-well-parabolic (54)
       • Backbone-side chain: square-well-parabolic (178)
       • Side chain-side chain: square-well-parabolic (90)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (31)
   • Range of distance target values: 3.4, 4.58 (Å)
   • Histogram of 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_3
     • Status: OK
     • Experiment type: hbond
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 33, Sequence coverage: 57.6%

       --------10--------20--------30---
       DVRLAKTLGLVLAVLLICWFPVLALMAHSLATT
              |||||||||||    ||||||||   
       .......LGLVLAVLLIC....LALMAHSL   
       --------10--------20--------30   
       

     • Total number of restraints: 22
       • Total hydrogen bond restraints: 22
         • O...h-N: 11
         • O...H-x: 11
     • Weight of restraints: 1.0 (22)
       • Total hydrogen bond restraints: 1.0 (22)
         • O...h-N: 1.0 (11)
         • O...H-x: 1.0 (11)
     • Potential type of restraints: square-well-parabolic (22)
       • Total hydrogen bond restraints: square-well-parabolic (22)
         • O...h-N: square-well-parabolic (11)
         • O...H-x: square-well-parabolic (11)
     • Range of distance target values: 2.4, 2.9 (Å)
     • Histogram of distance target values
     • Distance restraints per residue
       • Chain_ID: A
     • Distance restraints on contact map
       • Chain_ID_1: A - Chain_ID_2: A