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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GPCFPMGPWGPFCIPD
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GPCFPMGPWGPFCIPD

Chain assignments

Content subtype: combined_26064_2ndl.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 16, Sequence coverage: 100.0%

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     GPCFPMGPWGPFCIPD
     

   • Total number of assignments
     • ¹H chemical shifts: 90
     • ¹³C chemical shifts: 43
     • ¹⁵N chemical shifts: 11
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	98	89	90.8
         13C chemical shifts	75	43	57.3
         15N chemical shifts	12	11	91.7

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	30	29	96.7
         13C chemical shifts	32	16	50.0
         15N chemical shifts	11	11	100.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	68	60	88.2
         13C chemical shifts	43	27	62.8
         15N chemical shifts	1	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	3	2	66.7
         13C chemical shifts	3	2	66.7

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	16	9	56.2
         13C chemical shifts	15	0	0.0
         15N chemical shifts	1	0	0.0

   • Redox state of CYS
     • A:3:CYS, CA: 58.401 ppm, CB: 50.505 ppm
       • Redox_state (pred. by CS): oxidized
       • Disulfide_bond (coordinates): True, Other_bond (coordinates): False
     • A:13:CYS, CA: 58.189 ppm, CB: 50.303 ppm
       • Redox_state (pred. by CS): oxidized
       • Disulfide_bond (coordinates): True, Other_bond (coordinates): False
   • Peptide bond of PRO
     • A:2:PRO, CB: 35.296 ppm, CG: 29.631 ppm
       • Peptide_bond (pred. by CS): trans
       • Peptide_bond (coordinates): trans
     • A:5:PRO, CB: 34.602 ppm, CG: 29.811 ppm
       • Peptide_bond (pred. by CS): trans
       • Peptide_bond (coordinates): trans
     • A:8:PRO, CB: 33.878 ppm, CG: 29.248 ppm
       • Peptide_bond (pred. by CS): trans
       • Peptide_bond (coordinates): trans
     • A:11:PRO, CB: 35.297 ppm, CG: 29.613 ppm
       • Peptide_bond (pred. by CS): trans
       • Peptide_bond (coordinates): trans
     • A:15:PRO, CB: 34.007 ppm, CG: 30.504 ppm
       • Peptide_bond (pred. by CS): trans
       • Peptide_bond (coordinates): trans
   • Rotameric state of ILE , LEU, and VAL
     • A:14:ILE, CD1: 18.682 ppm
       • Rotameric_state (pred. by CS): gauche+ 4.7%, trans 95.3%, 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: 16, Sequence coverage: 100.0%

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   • Total number of restraints: 176
     • Intra-residue restraints, i = j : 29
     • Sequential restraints, | i - j | = 1 : 72
       • Backbone-backbone: 9
       • Backbone-side chain: 53
       • Side chain-side chain: 10
     • Medium range restraints, 1 < | i - j | < 5 : 24
       • Backbone-backbone: 6
       • Backbone-side chain: 5
       • Side chain-side chain: 13
     • Long range restraints, | i - j | >= 5 : 51
   • Weight of restraints: 1.0 (176)
     • Intra-residue restraints, i = j : 1.0 (29)
     • Sequential restraints, | i - j | = 1 : 1.0 (72)
       • Backbone-backbone: 1.0 (9)
       • Backbone-side chain: 1.0 (53)
       • Side chain-side chain: 1.0 (10)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (24)
       • Backbone-backbone: 1.0 (6)
       • Backbone-side chain: 1.0 (5)
       • Side chain-side chain: 1.0 (13)
     • Long range restraints, | i - j | >= 5 : 1.0 (51)
   • Potential type of restraints: upper-bound-parabolic (176)
     • Intra-residue restraints, i = j : upper-bound-parabolic (29)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (72)
       • Backbone-backbone: upper-bound-parabolic (9)
       • Backbone-side chain: upper-bound-parabolic (53)
       • Side chain-side chain: upper-bound-parabolic (10)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (24)
       • Backbone-backbone: upper-bound-parabolic (6)
       • Backbone-side chain: upper-bound-parabolic (5)
       • Side chain-side chain: upper-bound-parabolic (13)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (51)
   • Range of distance target values: 2.4, 5.5 (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: 16, Sequence coverage: 50.0%

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       GPCFPMGPWGPFCIPD
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       .P.FPM...GPF.I  
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     • Total number of restraints: 11
       • Long range restraints, | i - j | >= 5 : 1
       • Total hydrogen bond restraints: 10
         • O...H-x: 2
         • O...h-N: 2
         • Long range: 6
           • O...H-x: 3
           • O...h-N: 3
     • Weight of restraints: 1.0 (11)
       • Long range restraints, | i - j | >= 5 : 1.0 (1)
       • Total hydrogen bond restraints: 1.0 (10)
         • O...H-x: 1.0 (2)
         • O...h-N: 1.0 (2)
         • Long range: 1.0 (6)
           • O...H-x: 1.0 (3)
           • O...h-N: 1.0 (3)
     • Potential type of restraints: upper-bound-parabolic (11)
       • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (1)
       • Total hydrogen bond restraints: upper-bound-parabolic (10)
         • O...H-x: upper-bound-parabolic (2)
         • O...h-N: upper-bound-parabolic (2)
         • Long range: upper-bound-parabolic (6)
           • O...H-x: upper-bound-parabolic (3)
           • O...h-N: upper-bound-parabolic (3)
     • Range of distance target values: 2.3, 3.5 (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

Dihedral angle restraints

1. Saveframe: DYANA/DIANA_dihedral_4
   • Status: Warning
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 16, Sequence coverage: 6.2%
   • Total number of restraints: 1
     • Chi1 angle constraints: 1
   • Total number of restraints per polymer type: 1
     • Protein: 1
   • Weight of restraints: 1.0 (1)
     • Chi1 angle constraints: 1.0 (1)
   • Potential type of restraints: square-well-parabolic (1)
     • Chi1 angle constraints: square-well-parabolic (1)
   • Dihedral angle restraints per residue