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----
KLPPGWEKRMFRSNGTVYYFNHITNASQFERPSG
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KLPPGWEKRMFRSNGTVYYFNHITNASQFERPSG

Chain assignments

Content subtype: combined_19295_2m9i.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 34, Sequence coverage: 100.0%

     --------10--------20--------30----
     KLPPGWEKRMFRSNGTVYYFNHITNASQFERPSG
     ||||||||||||||||||||||||||||||||||
     KLPPGWEKRMFRSNGTVYYFNHITNASQFERPSG
     

   • Total number of assignments
     • ¹H chemical shifts: 222
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         24	THR	HG1	5.109

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	223	221	99.1

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	68	66	97.1

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	155	155	100.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	10	10	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	31	31	100.0

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

Distance restraints

1. Saveframe: DYANA/DIANA_distance_constraints_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 34, Sequence coverage: 91.2%

     --------10--------20--------30----
     KLPPGWEKRMFRSNGTVYYFNHITNASQFERPSG
      ||||||||||  |||||||||||||||||||||
     .LPPGWEKRMF..NGTVYYFNHITNASQFERPSG
     

   • Total number of restraints: 261
     • Intra-residue restraints, i = j : 52
     • Sequential restraints, | i - j | = 1 : 68
       • Backbone-backbone: 32
       • Backbone-side chain: 36
     • Medium range restraints, 1 < | i - j | < 5 : 33
       • Backbone-backbone: 5
       • Backbone-side chain: 13
       • Side chain-side chain: 15
     • Long range restraints, | i - j | >= 5 : 108
   • Weight of restraints: 1.0 (261)
     • Intra-residue restraints, i = j : 1.0 (52)
     • Sequential restraints, | i - j | = 1 : 1.0 (68)
       • Backbone-backbone: 1.0 (32)
       • Backbone-side chain: 1.0 (36)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (33)
       • Backbone-backbone: 1.0 (5)
       • Backbone-side chain: 1.0 (13)
       • Side chain-side chain: 1.0 (15)
     • Long range restraints, | i - j | >= 5 : 1.0 (108)
   • Potential type of restraints: upper-bound-parabolic (261)
     • Intra-residue restraints, i = j : upper-bound-parabolic (52)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (68)
       • Backbone-backbone: upper-bound-parabolic (32)
       • Backbone-side chain: upper-bound-parabolic (36)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (33)
       • Backbone-backbone: upper-bound-parabolic (5)
       • Backbone-side chain: upper-bound-parabolic (13)
       • Side chain-side chain: upper-bound-parabolic (15)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (108)
   • Range of distance target values: 3.0, 6.0 (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: DYANA/DIANA_distance_constraints_3
     • Status: OK
     • Experiment type: hbond
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 34, Sequence coverage: 61.8%

       --------10--------20--------30----
       KLPPGWEKRMFRSNGTVYYFNHITNASQFERPSG
         | ||| | |  ||| ||||||||| |||    
       ..P.GWE.R.F..NGT.YYFNHITNA.QFE    
       --------10--------20--------30    
       

     • Total number of restraints: 36
       • Total hydrogen bond restraints: 36
         • O...H-x: 11
         • O...h-N: 11
         • Long range: 14
           • O...H-x: 7
           • O...h-N: 7
     • Weight of restraints: 1.0 (36)
       • Total hydrogen bond restraints: 1.0 (36)
         • O...H-x: 1.0 (11)
         • O...h-N: 1.0 (11)
         • Long range: 1.0 (14)
           • O...H-x: 1.0 (7)
           • O...h-N: 1.0 (7)
     • Potential type of restraints: upper-bound-parabolic (36)
       • Total hydrogen bond restraints: upper-bound-parabolic (36)
         • O...H-x: upper-bound-parabolic (11)
         • O...h-N: upper-bound-parabolic (11)
         • Long range: upper-bound-parabolic (14)
           • O...H-x: upper-bound-parabolic (7)
           • O...h-N: upper-bound-parabolic (7)
     • Range of distance target values: 2.0, 3.8 (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