global_
_lib_name         ?
_lib_version      ?
_lib_update       ?
# ------------------------------------------------
#
# ---   LIST OF MONOMERS ---
#
data_comp_list
loop_
_chem_comp.id
_chem_comp.three_letter_code
_chem_comp.name
_chem_comp.group
_chem_comp.number_atoms_all
_chem_comp.number_atoms_nh
_chem_comp.desc_level
SVA      SVA 'SERINE VANADATE                     ' peptide            18  12 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_SVA
#
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.partial_charge
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
 SVA           N      N    NH2       0.000      0.052    0.131   -0.132
 SVA           HN1    H    H         0.000      0.876    0.023   -0.705
 SVA           HN2    H    H         0.000     -0.223    1.046    0.193
 SVA           CA     C    CH1       0.000     -0.745   -1.042    0.230
 SVA           HA     H    H         0.000     -0.738   -1.134    1.316
 SVA           CB     C    CH2       0.000     -2.203   -0.914   -0.229
 SVA           HB2    H    H         0.000     -2.712   -1.865   -0.066
 SVA           HB3    H    H         0.000     -2.221   -0.671   -1.292
 SVA           OG     O    O2        0.000     -2.863    0.108    0.502
 SVA           V      V    V         0.000     -4.600    0.282   -0.057
 SVA           O1     O    O        -1.000     -6.343    0.515   -0.596
 SVA           O2     O    O        -1.000     -4.786    1.713    1.088
 SVA           O3     O    O        -1.000     -4.069    0.596   -1.791
 SVA           O4     O    OH1       0.000     -5.054   -1.397    0.538
 SVA           HO4    H    H         0.000     -5.958   -1.722    0.426
 SVA           C      C    C         0.000     -0.169   -2.313   -0.351
 SVA           O      O    OC       -0.500      0.444   -2.352   -1.442
 SVA           OXT    O    OC       -0.500     -0.260   -3.379    0.304
loop_
_chem_comp_tree.comp_id
_chem_comp_tree.atom_id
_chem_comp_tree.atom_back
_chem_comp_tree.atom_forward
_chem_comp_tree.connect_type
 SVA      N      n/a    CA     START
 SVA      HN1    N      .      .
 SVA      HN2    N      .      .
 SVA      CA     N      C      .
 SVA      HA     CA     .      .
 SVA      CB     CA     OG     .
 SVA      HB2    CB     .      .
 SVA      HB3    CB     .      .
 SVA      OG     CB     V      .
 SVA      V      OG     O4     .
 SVA      O1     V      .      .
 SVA      O2     V      .      .
 SVA      O3     V      .      .
 SVA      O4     V      HO4    .
 SVA      HO4    O4     .      .
 SVA      C      CA     .      END
 SVA      O      C      .      .
 SVA      OXT    C      .      .
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
 SVA      CA     N         single      1.469    0.020
 SVA      CB     CA        single      1.530    0.020
 SVA      C      CA        single      1.507    0.020
 SVA      HA     CA        single      1.090    0.020
 SVA      OG     CB        single      1.429    0.020
 SVA      HB2    CB        single      1.089    0.020
 SVA      HB3    CB        single      1.091    0.020
 SVA      V      OG        single      1.840    0.020
 SVA      O      C         deloc       1.251    0.020
 SVA      OXT    C         deloc       1.251    0.020
 SVA      O1     V         single      1.840    0.020
 SVA      O2     V         single      1.840    0.020
 SVA      O3     V         single      1.840    0.020
 SVA      O4     V         single      1.840    0.020
 SVA      HN1    N         single      1.010    0.020
 SVA      HN2    N         single      1.010    0.020
 SVA      HO4    O4        single      0.967    0.020
loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
 SVA      HN1    N      HN2     120.000    3.000
 SVA      HN1    N      CA      120.000    3.000
 SVA      HN2    N      CA      120.000    3.000
 SVA      N      CA     HA      109.485    3.000
 SVA      N      CA     CB      109.456    3.000
 SVA      N      CA     C       109.463    3.000
 SVA      HA     CA     CB      109.461    3.000
 SVA      HA     CA     C       109.478    3.000
 SVA      CB     CA     C       109.484    3.000
 SVA      CA     CB     HB2     109.476    3.000
 SVA      CA     CB     HB3     109.439    3.000
 SVA      CA     CB     OG      109.453    3.000
 SVA      HB2    CB     HB3     109.463    3.000
 SVA      HB2    CB     OG      109.520    3.000
 SVA      HB3    CB     OG      109.476    3.000
 SVA      CB     OG     V       106.757    3.000
 SVA      OG     V      O1      179.960    3.000
 SVA      OG     V      O2       89.996    3.000
 SVA      OG     V      O3       90.020    3.000
 SVA      OG     V      O4       90.022    3.000
 SVA      O1     V      O2       89.986    3.000
 SVA      O1     V      O3       90.008    3.000
 SVA      O2     V      O3      120.002    3.000
 SVA      O1     V      O4       89.968    3.000
 SVA      O2     V      O4      119.984    3.000
 SVA      O3     V      O4      120.014    3.000
 SVA      V      O4     HO4     120.000    3.000
 SVA      CA     C      O       119.974    3.000
 SVA      CA     C      OXT     119.987    3.000
 SVA      O      C      OXT     120.039    3.000
loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
 SVA      var_1    HN2    N      CA     C        180.000   20.000   3
 SVA      var_2    N      CA     CB     OG       -65.043   20.000   3
 SVA      var_3    CA     CB     OG     V       -179.972   20.000   3
 SVA      var_4    CB     OG     V      O4        60.046   20.000   3
 SVA      var_5    OG     V      O4     HO4      180.000   20.000   3
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
_chem_comp_chir.atom_id_4
_chem_comp_chir.atom_id_5
_chem_comp_chir.atom_id_6
_chem_comp_chir.atom_id_7
_chem_comp_chir.atom_id_8
 SVA      chir_01  CA     N      CB     C         negativ
                   .      .      .      .      .
 SVA      chir_02  V      OG     O1     O2        cross3
                   O4     O3     .      .      .
loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
 SVA      plan-1    N         0.020
 SVA      plan-1    CA        0.020
 SVA      plan-1    HN1       0.020
 SVA      plan-1    HN2       0.020
 SVA      plan-2    C         0.020
 SVA      plan-2    CA        0.020
 SVA      plan-2    O         0.020
 SVA      plan-2    OXT       0.020
# ------------------------------------------------------
