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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ECLEIFKACNPSNDQCCKSSKLVCSRKTRACKYQI
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ECLEIFKACNPSNDQCCKSSKLVCSRKTRACKYQI

Chain assignments

Content subtype: combined_19030_2m4z.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 35, Sequence coverage: 97.1%

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     ECLEIFKACNPSNDQCCKSSKLVCSRKTRACKYQI
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   • Total number of assignments
     • ¹H chemical shifts: 167
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         28	THR	HG1	1.197

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	219	166	75.8

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	69	67	97.1

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	150	99	66.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	13	11	84.6

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	9	2	22.2

   • 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: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 35, Sequence coverage: 97.1%

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   • Total number of restraints: 426
     • Intra-residue restraints, i = j : 148
     • Sequential restraints, | i - j | = 1 : 116
       • Backbone-backbone: 27
       • Backbone-side chain: 81
       • Side chain-side chain: 8
     • Medium range restraints, 1 < | i - j | < 5 : 66
       • Backbone-backbone: 5
       • Backbone-side chain: 44
       • Side chain-side chain: 17
     • Long range restraints, | i - j | >= 5 : 96
   • Weight of restraints: 1.0 (426)
     • Intra-residue restraints, i = j : 1.0 (148)
     • Sequential restraints, | i - j | = 1 : 1.0 (116)
       • Backbone-backbone: 1.0 (27)
       • Backbone-side chain: 1.0 (81)
       • Side chain-side chain: 1.0 (8)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (66)
       • Backbone-backbone: 1.0 (5)
       • Backbone-side chain: 1.0 (44)
       • Side chain-side chain: 1.0 (17)
     • Long range restraints, | i - j | >= 5 : 1.0 (96)
   • Potential type of restraints: upper-bound-parabolic (426)
     • Intra-residue restraints, i = j : upper-bound-parabolic (148)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (116)
       • Backbone-backbone: upper-bound-parabolic (27)
       • Backbone-side chain: upper-bound-parabolic (81)
       • Side chain-side chain: upper-bound-parabolic (8)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (66)
       • Backbone-backbone: upper-bound-parabolic (5)
       • Backbone-side chain: upper-bound-parabolic (44)
       • Side chain-side chain: upper-bound-parabolic (17)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (96)
   • Range of distance target values: 2.35, 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_4
     • Status: Warning
     • Experiment type: undefined
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 35, Sequence coverage: 17.1%
     • Total number of restraints: 22
       • Long range restraints, | i - j | >= 5 : 12
       • Total disulfide bond restraints: 10
     • Weight of restraints: 1.0 (22)
       • Long range restraints, | i - j | >= 5 : 1.0 (12)
       • Total disulfide bond restraints: 1.0 (10)
     • Potential type of restraints: upper-bound-parabolic (22)
       • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (12)
       • Total disulfide bond restraints: upper-bound-parabolic (10)
     • Range of distance target values: 2.0, 4.0 (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
     • Saveframe: DYANA/DIANA_distance_constraints_5
       • Status: Warning
       • Experiment type: hbond
       • Sequence coverage of experimental data
         • Entity_assembly_ID: A, Chain length: 35, Sequence coverage: 14.3%
       • Total number of restraints: 16
         • Total hydrogen bond restraints: 16
       • Weight of restraints: 1.0 (16)
         • Total hydrogen bond restraints: 1.0 (16)
       • Potential type of restraints: upper-bound-parabolic (16)
         • Total hydrogen bond restraints: upper-bound-parabolic (16)
       • Range of distance target values: 2.0, 3.0 (Å)
       • Histogram of distance target values
       • Distance restraints per residue
         • Chain_ID: A
       • Distance restraints on contact map

Dihedral angle restraints

1. Saveframe: DYANA/DIANA_dihedral_3
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 35, Sequence coverage: 100.0%

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   • Total number of restraints: 369
     • Psi angle constraints: 96
     • Phi angle constraints: 96
     • Chi1 angle constraints: 96
     • Chi2 angle constraints: 39
     • Chi21 angle constraints: 6
     • Chi3 angle constraints: 21
     • Chi4 angle constraints: 15
   • Total number of restraints per polymer type: 369
     • Protein: 369
   • Weight of restraints: 1.0 (369)
     • Psi angle constraints: 1.0 (96)
     • Phi angle constraints: 1.0 (96)
     • Chi1 angle constraints: 1.0 (96)
     • Chi2 angle constraints: 1.0 (39)
     • Chi21 angle constraints: 1.0 (6)
     • Chi3 angle constraints: 1.0 (21)
     • Chi4 angle constraints: 1.0 (15)
   • Potential type of restraints: square-well-parabolic (369)
     • Psi angle constraints: square-well-parabolic (96)
     • Phi angle constraints: square-well-parabolic (96)
     • Chi1 angle constraints: square-well-parabolic (96)
     • Chi2 angle constraints: square-well-parabolic (39)
     • Chi21 angle constraints: square-well-parabolic (6)
     • Chi3 angle constraints: square-well-parabolic (21)
     • Chi4 angle constraints: square-well-parabolic (15)
   • Plot of Phi-Psi angle restraints
   • Plot of Chi1-Chi2 angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A