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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XEVNPPVPX
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XEVNPPVPX

Chain assignments

Content subtype: combined_27863_6r9z.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 9, Sequence coverage: 77.8%

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     .EVNPPVP 
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   • Total number of assignments
     • ¹H chemical shifts: 43
     • ¹³C chemical shifts: 23
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	47	43	91.5
         13C chemical shifts	34	23	67.6

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	12	11	91.7
         13C chemical shifts	14	7	50.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	35	32	91.4
         13C chemical shifts	20	16	80.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	5	4	80.0
         13C chemical shifts	5	2	40.0

       • Aromatic group atoms

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

   • Peptide bond of PRO
     • A:5:PRO, CB: 28.101 ppm, CG: 24.522 ppm
       • Peptide_bond (pred. by CS): trans
       • Peptide_bond (coordinates): trans
     • A:6:PRO, CB: 29.203 ppm, CG: 24.578 ppm
       • Peptide_bond (pred. by CS): trans
       • Peptide_bond (coordinates): trans
     • A:8:PRO, CB: 29.538 ppm, CG: 24.613 ppm
       • Peptide_bond (pred. by CS): trans
       • Peptide_bond (coordinates): trans
   • Rotameric state of ILE , LEU, and VAL
     • A:3:VAL, CG1: 17.438 ppm, CG2: None ppm
       • Rotameric_state (pred. by CS): gauche+ 80.7%, trans 13.1%, gauche- 6.2%
       • Rotameric_state (coordinates): gauche+
     • A:7:VAL, CG1: 17.26 ppm, CG2: None ppm
       • Rotameric_state (pred. by CS): gauche+ 82.1%, trans 12.2%, gauche- 5.6%
       • Rotameric_state (coordinates): trans
   • 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: 9, Sequence coverage: 77.8%

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     .EVNPPVP 
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   • Total number of restraints: 75
     • Intra-residue restraints, i = j : 24
     • Sequential restraints, | i - j | = 1 : 43
       • Backbone-backbone: 4
       • Backbone-side chain: 19
       • Side chain-side chain: 20
     • Medium range restraints, 1 < | i - j | < 5 : 8
       • Side chain-side chain: 8
   • Weight of restraints: 1.0 (75)
     • Intra-residue restraints, i = j : 1.0 (24)
     • Sequential restraints, | i - j | = 1 : 1.0 (43)
       • Backbone-backbone: 1.0 (4)
       • Backbone-side chain: 1.0 (19)
       • Side chain-side chain: 1.0 (20)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (8)
       • Side chain-side chain: 1.0 (8)
   • Potential type of restraints: upper-bound-parabolic (75)
     • Intra-residue restraints, i = j : upper-bound-parabolic (24)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (43)
       • Backbone-backbone: upper-bound-parabolic (4)
       • Backbone-side chain: upper-bound-parabolic (19)
       • Side chain-side chain: upper-bound-parabolic (20)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (8)
       • Side chain-side chain: upper-bound-parabolic (8)
   • Range of distance target values: 2.49, 4.86 (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