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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GPTPMVGLDSVSGQYWDQHAPLAD
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GPTPMVGLDSVSGQYWDQHAPLAD

Chain assignments

Content subtype: combined_25783_2n6v.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 24, Sequence coverage: 100.0%

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     GPTPMVGLDSVSGQYWDQHAPLAD
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     GPTPMVGLDSVSGQYWDQHAPLAD
     

   • Total number of assignments
     • ¹H chemical shifts: 131
     • ¹³C chemical shifts: 74
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	131	130	99.2
         13C chemical shifts	101	73	72.3

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	48	47	97.9
         13C chemical shifts	48	20	41.7

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	83	83	100.0
         13C chemical shifts	53	53	100.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	12	12	100.0
         13C chemical shifts	12	12	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	12	12	100.0
         13C chemical shifts	11	11	100.0

   • Peptide bond of PRO
     • A:2:PRO, CB: 27.521 ppm, CG: 24.029 ppm
       • Peptide_bond (pred. by CS): trans
       • Peptide_bond (coordinates): trans
     • A:4:PRO, CB: 28.224 ppm, CG: 27.519 ppm
       • Peptide_bond (pred. by CS): trans
       • Peptide_bond (coordinates): trans
     • A:21:PRO, CB: 29.244 ppm, CG: 24.683 ppm
       • Peptide_bond (pred. by CS): trans
       • Peptide_bond (coordinates): trans
   • Tautomeric state of HIS
     • A:19:HIS, CG: None ppm, CD2: 117.402 ppm, ND1: None ppm, ND2: None ppm
       • Tautomeric_state (pred. by CS): biprotonated 7.5%, tau-tautomer 92.5%, pi-tautomer 0.0%
       • Tautomeric_state (coordinates): tau-tautomer
   • Rotameric state of ILE , LEU, and VAL
     • A:6:VAL, CG1: 18.373 ppm, CG2: 18.945 ppm
       • Rotameric_state (pred. by CS): gauche+ 70.2%, trans 7.8%, gauche- 22.0%
       • Rotameric_state (coordinates): gauche+
     • A:8:LEU, CD1: 21.188 ppm, CD2: 21.736 ppm
       • Rotameric_state (pred. by CS): gauche+ 55.5%, trans 44.5%, gauche- 0.0%
       • Rotameric_state (coordinates): trans
     • A:11:VAL, CG1: 18.378 ppm, CG2: 18.378 ppm
       • Rotameric_state (pred. by CS): gauche+ 66.5%, trans 6.2%, gauche- 27.3%
       • Rotameric_state (coordinates): trans
     • A:22:LEU, CD1: 20.7 ppm, CD2: 22.041 ppm
       • Rotameric_state (pred. by CS): gauche+ 63.4%, trans 36.6%, gauche- 0.0%
       • 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: 24, Sequence coverage: 95.8%

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     GPTPMVGLDSVSGQYWDQHAPLAD
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     GPTPMVGLDSVSGQYWDQHAPLA 
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   • Total number of restraints: 161
     • Intra-residue restraints, i = j : 68
     • Sequential restraints, | i - j | = 1 : 61
       • Backbone-backbone: 23
       • Backbone-side chain: 30
       • Side chain-side chain: 8
     • Medium range restraints, 1 < | i - j | < 5 : 4
       • Backbone-side chain: 4
     • Long range restraints, | i - j | >= 5 : 28
   • Weight of restraints: 1.0 (161)
     • Intra-residue restraints, i = j : 1.0 (68)
     • Sequential restraints, | i - j | = 1 : 1.0 (61)
       • Backbone-backbone: 1.0 (23)
       • Backbone-side chain: 1.0 (30)
       • Side chain-side chain: 1.0 (8)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (4)
       • Backbone-side chain: 1.0 (4)
     • Long range restraints, | i - j | >= 5 : 1.0 (28)
   • Potential type of restraints: upper-bound-parabolic (161)
     • Intra-residue restraints, i = j : upper-bound-parabolic (68)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (61)
       • Backbone-backbone: upper-bound-parabolic (23)
       • Backbone-side chain: upper-bound-parabolic (30)
       • Side chain-side chain: upper-bound-parabolic (8)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (4)
       • Backbone-side chain: upper-bound-parabolic (4)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (28)
   • Range of distance target values: 2.46, 5.26 (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