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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
VIG VIG '4-AMINO HEXANOIC ACID ' non-polymer 21 9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_VIG
#
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
VIG "O2'" O OC -0.500 0.000 0.000 0.000
VIG "C1'" C C 0.000 -0.894 -0.316 -0.816
VIG "O1'" O OC -0.500 -0.598 -0.541 -2.011
VIG C1 C CH2 0.000 -2.325 -0.426 -0.358
VIG H1C1 H H 0.000 -2.685 -1.442 -0.534
VIG H1C2 H H 0.000 -2.941 0.279 -0.920
VIG C2 C CH2 0.000 -2.411 -0.104 1.133
VIG H2C1 H H 0.000 -2.049 0.912 1.306
VIG H2C2 H H 0.000 -1.793 -0.809 1.693
VIG C3 C CH1 0.000 -3.864 -0.216 1.598
VIG H3 H H 0.000 -4.227 -1.238 1.423
VIG N3 N NH2 0.000 -4.692 0.733 0.843
VIG H3N2 H H 0.000 -5.461 0.400 0.273
VIG H3N1 H H 0.000 -4.501 1.727 0.887
VIG C4 C CH2 0.000 -3.950 0.108 3.090
VIG H4C1 H H 0.000 -3.588 1.123 3.264
VIG H4C2 H H 0.000 -3.332 -0.598 3.651
VIG C5 C CH3 0.000 -5.403 -0.004 3.554
VIG H5C3 H H 0.000 -6.005 0.680 3.011
VIG H5C2 H H 0.000 -5.757 -0.990 3.387
VIG H5C1 H H 0.000 -5.466 0.220 4.589
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
VIG "O2'" n/a "C1'" START
VIG "C1'" "O2'" C1 .
VIG "O1'" "C1'" . .
VIG C1 "C1'" C2 .
VIG H1C1 C1 . .
VIG H1C2 C1 . .
VIG C2 C1 C3 .
VIG H2C1 C2 . .
VIG H2C2 C2 . .
VIG C3 C2 C4 .
VIG H3 C3 . .
VIG N3 C3 H3N1 .
VIG H3N2 N3 . .
VIG H3N1 N3 . .
VIG C4 C3 C5 .
VIG H4C1 C4 . .
VIG H4C2 C4 . .
VIG C5 C4 H5C1 .
VIG H5C3 C5 . .
VIG H5C2 C5 . .
VIG H5C1 C5 . END
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
VIG "O1'" "C1'" deloc 1.250 0.020
VIG "C1'" "O2'" deloc 1.250 0.020
VIG C1 "C1'" single 1.510 0.020
VIG C2 C1 single 1.524 0.020
VIG H1C1 C1 single 1.092 0.020
VIG H1C2 C1 single 1.092 0.020
VIG C3 C2 single 1.524 0.020
VIG H2C1 C2 single 1.092 0.020
VIG H2C2 C2 single 1.092 0.020
VIG C4 C3 single 1.524 0.020
VIG N3 C3 single 1.450 0.020
VIG H3 C3 single 1.099 0.020
VIG C5 C4 single 1.513 0.020
VIG H4C1 C4 single 1.092 0.020
VIG H4C2 C4 single 1.092 0.020
VIG H5C1 C5 single 1.059 0.020
VIG H5C2 C5 single 1.059 0.020
VIG H5C3 C5 single 1.059 0.020
VIG H3N1 N3 single 1.010 0.020
VIG H3N2 N3 single 1.010 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
VIG "O2'" "C1'" "O1'" 123.000 3.000
VIG "O2'" "C1'" C1 118.500 3.000
VIG "O1'" "C1'" C1 118.500 3.000
VIG "C1'" C1 H1C1 109.470 3.000
VIG "C1'" C1 H1C2 109.470 3.000
VIG "C1'" C1 C2 109.470 3.000
VIG H1C1 C1 H1C2 107.900 3.000
VIG H1C1 C1 C2 109.470 3.000
VIG H1C2 C1 C2 109.470 3.000
VIG C1 C2 H2C1 109.470 3.000
VIG C1 C2 H2C2 109.470 3.000
VIG C1 C2 C3 111.000 3.000
VIG H2C1 C2 H2C2 107.900 3.000
VIG H2C1 C2 C3 109.470 3.000
VIG H2C2 C2 C3 109.470 3.000
VIG C2 C3 H3 108.340 3.000
VIG C2 C3 N3 109.470 3.000
VIG C2 C3 C4 109.470 3.000
VIG H3 C3 N3 109.470 3.000
VIG H3 C3 C4 108.340 3.000
VIG N3 C3 C4 109.470 3.000
VIG C3 N3 H3N2 120.000 3.000
VIG C3 N3 H3N1 120.000 3.000
VIG H3N2 N3 H3N1 120.000 3.000
VIG C3 C4 H4C1 109.470 3.000
VIG C3 C4 H4C2 109.470 3.000
VIG C3 C4 C5 111.000 3.000
VIG H4C1 C4 H4C2 107.900 3.000
VIG H4C1 C4 C5 109.470 3.000
VIG H4C2 C4 C5 109.470 3.000
VIG C4 C5 H5C3 109.470 3.000
VIG C4 C5 H5C2 109.470 3.000
VIG C4 C5 H5C1 109.470 3.000
VIG H5C3 C5 H5C2 109.470 3.000
VIG H5C3 C5 H5C1 109.470 3.000
VIG H5C2 C5 H5C1 109.470 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
VIG var_1 "O2'" "C1'" C1 C2 0.027 20.000 3
VIG var_2 "C1'" C1 C2 C3 179.987 20.000 3
VIG var_3 C1 C2 C3 C4 -179.974 20.000 3
VIG var_4 C2 C3 N3 H3N1 -60.067 20.000 1
VIG var_5 C2 C3 C4 C5 179.987 20.000 3
VIG var_6 C3 C4 C5 H5C1 -179.970 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
VIG chir_01 C3 C2 C4 N3 negativ
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
VIG plan-1 "C1'" 0.020
VIG plan-1 "O1'" 0.020
VIG plan-1 "O2'" 0.020
VIG plan-1 C1 0.020
VIG plan-2 N3 0.020
VIG plan-2 C3 0.020
VIG plan-2 H3N1 0.020
VIG plan-2 H3N2 0.020
# ------------------------------------------------------
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