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---
KLPPGWEKRMFANGTVYYFNHITNASQFERPSG
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KLPPGWEKRMFANGTVYYFNHITNASQFERPSG

Chain assignments

Content subtype: combined_19292_2m9f.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 33, Sequence coverage: 100.0%

     --------10--------20--------30---
     KLPPGWEKRMFANGTVYYFNHITNASQFERPSG
     |||||||||||||||||||||||||||||||||
     KLPPGWEKRMFANGTVYYFNHITNASQFERPSG
     

     • Entity_assembly_ID: B, Chain length: 1, Sequence coverage: 100.0%

     -
     X
     |
     X
     

   • Total number of assignments
     • ¹H chemical shifts: 223
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         23	THR	HG1	5.088

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	213	211	99.1

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	66	64	97.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	147	147	100.0

       • 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	31	31	100.0

     • Entity_assemble_ID: B
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	9	8	88.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	7	7	100.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	2	1	50.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	1	0	0.0

       • 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

Covalent bonds

1. Saveframe: assembly
   • Status: OK

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: 33, Sequence coverage: 90.9%

     --------10--------20--------30---
     KLPPGWEKRMFANGTVYYFNHITNASQFERPSG
      |  |||||||||||||||||||||||||||||
     .L..GWEKRMFANGTVYYFNHITNASQFERPSG
     

   • Total number of restraints: 285
     • Intra-residue restraints, i = j : 86
     • Sequential restraints, | i - j | = 1 : 74
       • Backbone-backbone: 37
       • Backbone-side chain: 37
     • Medium range restraints, 1 < | i - j | < 5 : 31
       • Backbone-backbone: 1
       • Backbone-side chain: 11
       • Side chain-side chain: 19
     • Long range restraints, | i - j | >= 5 : 94
   • Weight of restraints: 1.0 (285)
     • Intra-residue restraints, i = j : 1.0 (86)
     • Sequential restraints, | i - j | = 1 : 1.0 (74)
       • Backbone-backbone: 1.0 (37)
       • Backbone-side chain: 1.0 (37)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (31)
       • Backbone-backbone: 1.0 (1)
       • Backbone-side chain: 1.0 (11)
       • Side chain-side chain: 1.0 (19)
     • Long range restraints, | i - j | >= 5 : 1.0 (94)
   • Potential type of restraints: upper-bound-parabolic (285)
     • Intra-residue restraints, i = j : upper-bound-parabolic (86)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (74)
       • Backbone-backbone: upper-bound-parabolic (37)
       • Backbone-side chain: upper-bound-parabolic (37)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (31)
       • Backbone-backbone: upper-bound-parabolic (1)
       • Backbone-side chain: upper-bound-parabolic (11)
       • Side chain-side chain: upper-bound-parabolic (19)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (94)
   • 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
     • Chain_ID: B
       None
   • Distance restraints on contact map
     • Chain_ID_1: A - Chain_ID_2: A
   • Saveframe: DYANA/DIANA_distance_constraints_3
     • Status: Warning
     • Experiment type: hbond
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 33, Sequence coverage: 54.5%

       --------10--------20--------30---
       KLPPGWEKRMFANGTVYYFNHITNASQFERPSG
         | ||| | |  || ||||||||| |      
       ..P.GWE.R.F..GT.YYFNHITNA.Q      
       --------10--------20-------      
       

     • Total number of restraints: 32
       • Total hydrogen bond restraints: 32
         • O...H-x: 8
         • O...h-N: 9
         • O...H-x (too far!): 1
         • Long range: 14
           • O...H-x: 7
           • O...h-N: 7
     • Weight of restraints: 1.0 (32)
       • Total hydrogen bond restraints: 1.0 (32)
         • O...H-x: 1.0 (8)
         • O...h-N: 1.0 (9)
         • O...H-x (too far!): 1.0 (1)
         • Long range: 1.0 (14)
           • O...H-x: 1.0 (7)
           • O...h-N: 1.0 (7)
     • Potential type of restraints: upper-bound-parabolic (32)
       • Total hydrogen bond restraints: upper-bound-parabolic (32)
         • O...H-x: upper-bound-parabolic (8)
         • O...h-N: upper-bound-parabolic (9)
         • O...H-x (too far!): upper-bound-parabolic (1)
         • 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: 2.2, 3.8 (Å)
     • Histogram of distance target values
     • Distance restraints per residue
       • Chain_ID: A
       • Chain_ID: B
         None
     • Distance restraints on contact map
       • Chain_ID_1: A - Chain_ID_2: A