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--------40--------50--------60--------70-----
LCVHVRSEEWDLMTFDANPYDSVLKIKEHVRSKTKVPVQDQVLLLGSKILKPRRSLSSYGIDKEKTIHLTLKVVK
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LCVHVRSEEWDLMTFDANPYDSVLKIKEHVRSKTKVPVQDQVLLLGSKILKPRRSLSSYGIDKEKTIHLTLKVVK

Chain assignments

Content subtype: combined_19397_2mbe.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 75, Sequence coverage: 72.0%

     --------10--------20--------30--------40--------50--------60--------70-----
     LCVHVRSEEWDLMTFDANPYDSVLKIKEHVRSKTKVPVQDQVLLLGSKILKPRRSLSSYGIDKEKTIHLTLKVVK
     |||||||  || || ||| || | |||||| ||||| ||||||||  ||||    || | |  |  |||||||||
     LCVHVRS..WD.MT.DAN.YD.V.KIKEHV.SKTKV.VQDQVLLL..KILK....LS.Y.I..E..IHLTLKVVK
     

   • Total number of assignments
     • ¹H chemical shifts: 238
     • ¹⁵N chemical shifts: 52
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	483	237	49.1
         15N chemical shifts	80	52	65.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	149	103	69.1
         15N chemical shifts	72	51	70.8

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	334	134	40.1
         15N chemical shifts	8	1	12.5

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	52	29	55.8

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	25	1	4.0
         15N chemical shifts	1	1	100.0

   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: A

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: 75, Sequence coverage: 70.7%

     --------10--------20--------30--------40--------50--------60--------70-----
     LCVHVRSEEWDLMTFDANPYDSVLKIKEHVRSKTKVPVQDQVLLLGSKILKPRRSLSSYGIDKEKTIHLTLKVVK
     |||||||  || || ||  || | |||||| ||||| ||||||||  ||||    || | |  |  |||||||||
     LCVHVRS..WD.MT.DA..YD.V.KIKEHV.SKTKV.VQDQVLLL..KILK....LS.Y.I..E..IHLTLKVVK
     

   • Total number of restraints: 410
     • Intra-residue restraints, i = j : 171
     • Sequential restraints, | i - j | = 1 : 152
       • Backbone-backbone: 77
       • Backbone-side chain: 73
     • Medium range restraints, 1 < | i - j | < 5 : 42
       • Backbone-backbone: 24
       • Backbone-side chain: 18
     • Long range restraints, | i - j | >= 5 : 45
   • Weight of restraints: 1.0 (410)
     • Intra-residue restraints, i = j : 1.0 (171)
     • Sequential restraints, | i - j | = 1 : 1.0 (152)
       • Backbone-backbone: 1.0 (77)
       • Backbone-side chain: 1.0 (73)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (42)
       • Backbone-backbone: 1.0 (24)
       • Backbone-side chain: 1.0 (18)
     • Long range restraints, | i - j | >= 5 : 1.0 (45)
   • Potential type of restraints: upper-bound-parabolic (410)
     • Intra-residue restraints, i = j : upper-bound-parabolic (171)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (152)
       • Backbone-backbone: upper-bound-parabolic (77)
       • Backbone-side chain: upper-bound-parabolic (73)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (42)
       • Backbone-backbone: upper-bound-parabolic (24)
       • Backbone-side chain: upper-bound-parabolic (18)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (45)
   • Range of distance target values: 2.8, 6.0 (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
     • 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: 75, Sequence coverage: 26.7%
     • Total number of restraints: 19
       • Total hydrogen bond restraints: 19
         • O...H-x (too far!): 2
         • Long range: 17
           • O...H-x (too far!): 17
     • Weight of restraints: 1.0 (19)
       • Total hydrogen bond restraints: 1.0 (19)
         • O...H-x (too far!): 1.0 (2)
         • Long range: 1.0 (17)
           • O...H-x (too far!): 1.0 (17)
     • Potential type of restraints: upper-bound-parabolic (19)
       • Total hydrogen bond restraints: upper-bound-parabolic (19)
         • O...H-x (too far!): upper-bound-parabolic (2)
         • Long range: upper-bound-parabolic (17)
           • O...H-x (too far!): upper-bound-parabolic (17)
     • Range of distance target values: 3.0, 3.0 (Å)
     • Distance restraints per residue
       • Chain_ID: A
     • Distance restraints on contact map

Dihedral angle restraints

1. Saveframe: CNS/XPLOR_dihedral_4
   • Status: Warning
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 75, Sequence coverage: 85.3%

     --------10--------20--------30--------40--------50--------60--------70-----
     LCVHVRSEEWDLMTFDANPYDSVLKIKEHVRSKTKVPVQDQVLLLGSKILKPRRSLSSYGIDKEKTIHLTLKVVK
     ||||||||||||||||||  |||||||||||||||||||||||||||||||        ||| ||||||||||||
     LCVHVRSEEWDLMTFDAN..DSVLKIKEHVRSKTKVPVQDQVLLLGSKILK........GID.EKTIHLTLKVVK
     

   • Total number of restraints: 104
     • Phi angle constraints: 52
     • Psi angle constraints: 52
   • Total number of restraints per polymer type: 104
     • Protein: 104
   • Weight of restraints: 1.0 (104)
     • Phi angle constraints: 1.0 (52)
     • Psi angle constraints: 1.0 (52)
   • Potential type of restraints: square-well-parabolic (104)
     • Phi angle constraints: square-well-parabolic (52)
     • Psi angle constraints: square-well-parabolic (52)
   • Plot of Phi-Psi angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A