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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
T2T T2T '. ' DNA 78 44 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_T2T
#
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
T2T OP3 O OP -0.666 0.000 0.000 0.000
T2T P P P 0.000 -0.225 0.197 -1.483
T2T OP1 O OP -0.666 1.027 0.469 -2.289
T2T OP2 O OP -0.666 -0.998 -1.039 -1.886
T2T "O5'" O O2 0.000 -1.335 1.374 -1.526
T2T "C5'" C CH2 0.000 -2.539 1.195 -0.796
T2T "H5'" H H 0.000 -2.312 1.070 0.265
T2T "H5''" H H 0.000 -3.063 0.310 -1.161
T2T C4X C CH1 0.000 -3.415 2.420 -0.987
T2T H4X H H 0.000 -2.869 3.312 -0.650
T2T C3X C CH1 0.000 -4.751 2.342 -0.255
T2T H3X H H 0.000 -5.152 1.323 -0.341
T2T C2X C CH2 0.000 -5.595 3.285 -1.093
T2T H2X1 H H 0.000 -5.421 4.337 -0.858
T2T H2X2 H H 0.000 -6.664 3.071 -1.028
T2T C1X C CH1 0.000 -5.102 2.990 -2.500
T2T H1X H H 0.000 -5.153 3.903 -3.109
T2T O4X O O2 0.000 -3.737 2.561 -2.383
T2T N1B N NR6 0.000 -5.851 1.940 -3.136
T2T C2B C CR6 0.000 -6.956 2.230 -3.965
T2T O2B O O 0.000 -7.353 3.371 -4.206
T2T N3B N NR16 0.000 -7.591 1.111 -4.516
T2T H3B H H 0.000 -8.409 1.297 -5.131
T2T C4B C CR6 0.000 -7.248 -0.220 -4.330
T2T O4B O O 0.000 -7.852 -1.155 -4.848
T2T C5B C CR6 0.000 -6.076 -0.443 -3.443
T2T CAB C CH3 0.000 -5.644 -1.853 -3.193
T2T HAB3 H H 0.000 -6.289 -2.296 -2.481
T2T HAB2 H H 0.000 -5.687 -2.398 -4.099
T2T HAB1 H H 0.000 -4.652 -1.855 -2.824
T2T C6B C CR16 0.000 -5.465 0.624 -2.915
T2T H6B H H 0.000 -4.612 0.450 -2.271
T2T CH2 C CH2 0.000 -4.678 2.730 1.212
T2T HH21 H H 0.000 -4.237 3.727 1.272
T2T HH22 H H 0.000 -4.025 2.014 1.714
T2T CP C CH1 0.000 -6.058 2.735 1.893
T2T H1P H H 0.000 -6.700 3.464 1.379
T2T C2P C CH3 0.000 -5.925 3.152 3.359
T2T H2P3 H H 0.000 -5.474 4.108 3.416
T2T H2P2 H H 0.000 -6.885 3.189 3.805
T2T H2P1 H H 0.000 -5.324 2.448 3.875
T2T CX C C 0.000 -6.735 1.365 1.835
T2T OX O O 0.000 -7.820 1.179 1.289
T2T N5X N NH1 0.000 -5.973 0.373 2.437
T2T H5X H H 0.000 -5.092 0.626 2.860
T2T C5X C CH2 0.000 -6.394 -1.007 2.482
T2T H5X1 H H 0.000 -7.485 -1.038 2.509
T2T H5X2 H H 0.000 -5.996 -1.463 3.391
T2T "C4'" C CH1 0.000 -5.893 -1.774 1.265
T2T "H4'" H H 0.000 -6.251 -1.289 0.346
T2T "C3'" C CH1 0.000 -6.303 -3.241 1.267
T2T "H3'" H H 0.000 -7.285 -3.393 1.736
T2T "C2'" C CH1 0.000 -5.187 -3.880 2.066
T2T "H2'" H H 0.000 -5.356 -3.719 3.140
T2T "O2'" O O2 0.000 -5.061 -5.262 1.800
T2T CH3 C CH3 0.000 -6.253 -5.973 2.119
T2T HH33 H H 0.000 -6.640 -5.617 3.038
T2T HH32 H H 0.000 -6.968 -5.825 1.353
T2T HH31 H H 0.000 -6.035 -7.006 2.204
T2T "C1'" C CH1 0.000 -3.976 -3.085 1.609
T2T "H1'" H H 0.000 -3.548 -3.550 0.710
T2T "O4'" O O2 0.000 -4.449 -1.765 1.291
T2T N1 N NR6 0.000 -2.968 -2.987 2.625
T2T C2 C CR6 0.000 -1.891 -3.899 2.681
T2T O2 O O 0.000 -1.735 -4.825 1.882
T2T N3 N NR16 0.000 -0.984 -3.685 3.726
T2T HN3 H H 0.000 -0.183 -4.345 3.787
T2T C6 C CR16 0.000 -3.071 -1.969 3.567
T2T H6 H H 0.000 -3.913 -1.292 3.488
T2T C5 C CR6 0.000 -2.202 -1.766 4.564
T2T C5A C CH3 0.000 -2.332 -0.663 5.565
T2T H5A3 H H 0.000 -2.108 -1.036 6.530
T2T H5A2 H H 0.000 -1.657 0.114 5.320
T2T H5A1 H H 0.000 -3.323 -0.291 5.550
T2T C4 C CR6 0.000 -1.040 -2.687 4.687
T2T O4 O O 0.000 -0.206 -2.556 5.579
T2T "O3'" O OH1 0.000 -6.276 -3.706 -0.081
T2T "HO3'" H H 0.000 -6.996 -4.350 -0.164
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
T2T OP3 n/a P START
T2T P OP3 "O5'" .
T2T OP1 P . .
T2T OP2 P . .
T2T "O5'" P "C5'" .
T2T "C5'" "O5'" C4X .
T2T "H5'" "C5'" . .
T2T "H5''" "C5'" . .
T2T C4X "C5'" C3X .
T2T H4X C4X . .
T2T C3X C4X CH2 .
T2T H3X C3X . .
T2T C2X C3X C1X .
T2T H2X1 C2X . .
T2T H2X2 C2X . .
T2T C1X C2X N1B .
T2T H1X C1X . .
T2T O4X C1X . .
T2T N1B C1X C2B .
T2T C2B N1B N3B .
T2T O2B C2B . .
T2T N3B C2B C4B .
T2T H3B N3B . .
T2T C4B N3B C5B .
T2T O4B C4B . .
T2T C5B C4B C6B .
T2T CAB C5B HAB1 .
T2T HAB3 CAB . .
T2T HAB2 CAB . .
T2T HAB1 CAB . .
T2T C6B C5B H6B .
T2T H6B C6B . .
T2T CH2 C3X CP .
T2T HH21 CH2 . .
T2T HH22 CH2 . .
T2T CP CH2 CX .
T2T H1P CP . .
T2T C2P CP H2P1 .
T2T H2P3 C2P . .
T2T H2P2 C2P . .
T2T H2P1 C2P . .
T2T CX CP N5X .
T2T OX CX . .
T2T N5X CX C5X .
T2T H5X N5X . .
T2T C5X N5X "C4'" .
T2T H5X1 C5X . .
T2T H5X2 C5X . .
T2T "C4'" C5X "C3'" .
T2T "H4'" "C4'" . .
T2T "C3'" "C4'" "O3'" .
T2T "H3'" "C3'" . .
T2T "C2'" "C3'" "C1'" .
T2T "H2'" "C2'" . .
T2T "O2'" "C2'" CH3 .
T2T CH3 "O2'" HH31 .
T2T HH33 CH3 . .
T2T HH32 CH3 . .
T2T HH31 CH3 . .
T2T "C1'" "C2'" N1 .
T2T "H1'" "C1'" . .
T2T "O4'" "C1'" . .
T2T N1 "C1'" C6 .
T2T C2 N1 N3 .
T2T O2 C2 . .
T2T N3 C2 HN3 .
T2T HN3 N3 . .
T2T C6 N1 C5 .
T2T H6 C6 . .
T2T C5 C6 C4 .
T2T C5A C5 H5A1 .
T2T H5A3 C5A . .
T2T H5A2 C5A . .
T2T H5A1 C5A . .
T2T C4 C5 O4 .
T2T O4 C4 . .
T2T "O3'" "C3'" . END
T2T "HO3'" "O3'" . .
T2T C4 N3 . ADD
T2T C4X O4X . ADD
T2T N1B C6B . ADD
T2T "C4'" "O4'" . ADD
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
T2T OP1 P deloc 1.510 0.020
T2T OP2 P deloc 1.510 0.020
T2T "O5'" P single 1.610 0.020
T2T P OP3 deloc 1.510 0.020
T2T C4 N3 single 1.337 0.020
T2T C4 C5 single 1.487 0.020
T2T O4 C4 double 1.250 0.020
T2T N3 C2 single 1.337 0.020
T2T HN3 N3 single 1.040 0.020
T2T C2 N1 single 1.410 0.020
T2T O2 C2 double 1.250 0.020
T2T C6 N1 single 1.337 0.020
T2T N1 "C1'" single 1.465 0.020
T2T C5 C6 double 1.390 0.020
T2T H6 C6 single 1.083 0.020
T2T C5A C5 single 1.506 0.020
T2T "C5'" "O5'" single 1.426 0.020
T2T C4X "C5'" single 1.524 0.020
T2T "H5'" "C5'" single 1.092 0.020
T2T "H5''" "C5'" single 1.092 0.020
T2T C4X O4X single 1.426 0.020
T2T C3X C4X single 1.524 0.020
T2T H4X C4X single 1.099 0.020
T2T O4X C1X single 1.426 0.020
T2T N1B C1X single 1.465 0.020
T2T C1X C2X single 1.524 0.020
T2T H1X C1X single 1.099 0.020
T2T N1B C6B single 1.337 0.020
T2T C2B N1B single 1.410 0.020
T2T C6B C5B double 1.390 0.020
T2T H6B C6B single 1.083 0.020
T2T O2B C2B double 1.250 0.020
T2T N3B C2B single 1.337 0.020
T2T C4B N3B single 1.337 0.020
T2T H3B N3B single 1.040 0.020
T2T O4B C4B double 1.250 0.020
T2T C5B C4B single 1.487 0.020
T2T CAB C5B single 1.506 0.020
T2T HAB1 CAB single 1.059 0.020
T2T HAB2 CAB single 1.059 0.020
T2T HAB3 CAB single 1.059 0.020
T2T C2X C3X single 1.524 0.020
T2T H2X1 C2X single 1.092 0.020
T2T H2X2 C2X single 1.092 0.020
T2T CH2 C3X single 1.524 0.020
T2T H3X C3X single 1.099 0.020
T2T CP CH2 single 1.524 0.020
T2T HH21 CH2 single 1.092 0.020
T2T HH22 CH2 single 1.092 0.020
T2T C2P CP single 1.524 0.020
T2T CX CP single 1.500 0.020
T2T H1P CP single 1.099 0.020
T2T H2P1 C2P single 1.059 0.020
T2T H2P2 C2P single 1.059 0.020
T2T H2P3 C2P single 1.059 0.020
T2T OX CX double 1.220 0.020
T2T N5X CX single 1.330 0.020
T2T C5X N5X single 1.450 0.020
T2T H5X N5X single 1.010 0.020
T2T "C4'" C5X single 1.524 0.020
T2T H5X1 C5X single 1.092 0.020
T2T H5X2 C5X single 1.092 0.020
T2T "C4'" "O4'" single 1.426 0.020
T2T "C3'" "C4'" single 1.524 0.020
T2T "H4'" "C4'" single 1.099 0.020
T2T "O4'" "C1'" single 1.426 0.020
T2T "C1'" "C2'" single 1.524 0.020
T2T "H1'" "C1'" single 1.099 0.020
T2T H5A1 C5A single 1.059 0.020
T2T H5A2 C5A single 1.059 0.020
T2T H5A3 C5A single 1.059 0.020
T2T "O2'" "C2'" single 1.426 0.020
T2T "C2'" "C3'" single 1.524 0.020
T2T "H2'" "C2'" single 1.099 0.020
T2T CH3 "O2'" single 1.426 0.020
T2T HH31 CH3 single 1.059 0.020
T2T HH32 CH3 single 1.059 0.020
T2T HH33 CH3 single 1.059 0.020
T2T "O3'" "C3'" single 1.432 0.020
T2T "H3'" "C3'" single 1.099 0.020
T2T "HO3'" "O3'" 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
T2T OP3 P OP1 119.900 3.000
T2T OP3 P OP2 119.900 3.000
T2T OP3 P "O5'" 108.200 3.000
T2T OP1 P OP2 119.900 3.000
T2T OP1 P "O5'" 108.200 3.000
T2T OP2 P "O5'" 108.200 3.000
T2T P "O5'" "C5'" 120.500 3.000
T2T "O5'" "C5'" "H5'" 109.470 3.000
T2T "O5'" "C5'" "H5''" 109.470 3.000
T2T "O5'" "C5'" C4X 109.470 3.000
T2T "H5'" "C5'" "H5''" 107.900 3.000
T2T "H5'" "C5'" C4X 109.470 3.000
T2T "H5''" "C5'" C4X 109.470 3.000
T2T "C5'" C4X H4X 108.340 3.000
T2T "C5'" C4X C3X 111.000 3.000
T2T "C5'" C4X O4X 109.470 3.000
T2T H4X C4X C3X 108.340 3.000
T2T H4X C4X O4X 109.470 3.000
T2T C3X C4X O4X 109.470 3.000
T2T C4X C3X H3X 108.340 3.000
T2T C4X C3X C2X 111.000 3.000
T2T C4X C3X CH2 111.000 3.000
T2T H3X C3X C2X 108.340 3.000
T2T H3X C3X CH2 108.340 3.000
T2T C2X C3X CH2 109.470 3.000
T2T C3X C2X H2X1 109.470 3.000
T2T C3X C2X H2X2 109.470 3.000
T2T C3X C2X C1X 111.000 3.000
T2T H2X1 C2X H2X2 107.900 3.000
T2T H2X1 C2X C1X 109.470 3.000
T2T H2X2 C2X C1X 109.470 3.000
T2T C2X C1X H1X 108.340 3.000
T2T C2X C1X O4X 109.470 3.000
T2T C2X C1X N1B 109.470 3.000
T2T H1X C1X O4X 109.470 3.000
T2T H1X C1X N1B 109.470 3.000
T2T O4X C1X N1B 109.470 3.000
T2T C1X O4X C4X 111.800 3.000
T2T C1X N1B C2B 120.000 3.000
T2T C1X N1B C6B 120.000 3.000
T2T C2B N1B C6B 120.000 3.000
T2T N1B C2B O2B 120.000 3.000
T2T N1B C2B N3B 120.000 3.000
T2T O2B C2B N3B 120.000 3.000
T2T C2B N3B H3B 120.000 3.000
T2T C2B N3B C4B 120.000 3.000
T2T H3B N3B C4B 120.000 3.000
T2T N3B C4B O4B 120.000 3.000
T2T N3B C4B C5B 120.000 3.000
T2T O4B C4B C5B 120.000 3.000
T2T C4B C5B CAB 120.000 3.000
T2T C4B C5B C6B 120.000 3.000
T2T CAB C5B C6B 120.000 3.000
T2T C5B CAB HAB3 109.470 3.000
T2T C5B CAB HAB2 109.470 3.000
T2T C5B CAB HAB1 109.470 3.000
T2T HAB3 CAB HAB2 109.470 3.000
T2T HAB3 CAB HAB1 109.470 3.000
T2T HAB2 CAB HAB1 109.470 3.000
T2T C5B C6B H6B 120.000 3.000
T2T C5B C6B N1B 120.000 3.000
T2T H6B C6B N1B 120.000 3.000
T2T C3X CH2 HH21 109.470 3.000
T2T C3X CH2 HH22 109.470 3.000
T2T C3X CH2 CP 111.000 3.000
T2T HH21 CH2 HH22 107.900 3.000
T2T HH21 CH2 CP 109.470 3.000
T2T HH22 CH2 CP 109.470 3.000
T2T CH2 CP H1P 108.340 3.000
T2T CH2 CP C2P 111.000 3.000
T2T CH2 CP CX 109.470 3.000
T2T H1P CP C2P 108.340 3.000
T2T H1P CP CX 108.810 3.000
T2T C2P CP CX 109.470 3.000
T2T CP C2P H2P3 109.470 3.000
T2T CP C2P H2P2 109.470 3.000
T2T CP C2P H2P1 109.470 3.000
T2T H2P3 C2P H2P2 109.470 3.000
T2T H2P3 C2P H2P1 109.470 3.000
T2T H2P2 C2P H2P1 109.470 3.000
T2T CP CX OX 120.500 3.000
T2T CP CX N5X 116.500 3.000
T2T OX CX N5X 123.000 3.000
T2T CX N5X H5X 120.000 3.000
T2T CX N5X C5X 121.500 3.000
T2T H5X N5X C5X 118.500 3.000
T2T N5X C5X H5X1 109.470 3.000
T2T N5X C5X H5X2 109.470 3.000
T2T N5X C5X "C4'" 110.000 3.000
T2T H5X1 C5X H5X2 107.900 3.000
T2T H5X1 C5X "C4'" 109.470 3.000
T2T H5X2 C5X "C4'" 109.470 3.000
T2T C5X "C4'" "H4'" 108.340 3.000
T2T C5X "C4'" "C3'" 111.000 3.000
T2T C5X "C4'" "O4'" 109.470 3.000
T2T "H4'" "C4'" "C3'" 108.340 3.000
T2T "H4'" "C4'" "O4'" 109.470 3.000
T2T "C3'" "C4'" "O4'" 109.470 3.000
T2T "C4'" "C3'" "H3'" 108.340 3.000
T2T "C4'" "C3'" "C2'" 111.000 3.000
T2T "C4'" "C3'" "O3'" 109.470 3.000
T2T "H3'" "C3'" "C2'" 108.340 3.000
T2T "H3'" "C3'" "O3'" 109.470 3.000
T2T "C2'" "C3'" "O3'" 109.470 3.000
T2T "C3'" "C2'" "H2'" 108.340 3.000
T2T "C3'" "C2'" "O2'" 109.470 3.000
T2T "C3'" "C2'" "C1'" 111.000 3.000
T2T "H2'" "C2'" "O2'" 109.470 3.000
T2T "H2'" "C2'" "C1'" 108.340 3.000
T2T "O2'" "C2'" "C1'" 109.470 3.000
T2T "C2'" "O2'" CH3 111.800 3.000
T2T "O2'" CH3 HH33 109.470 3.000
T2T "O2'" CH3 HH32 109.470 3.000
T2T "O2'" CH3 HH31 109.470 3.000
T2T HH33 CH3 HH32 109.470 3.000
T2T HH33 CH3 HH31 109.470 3.000
T2T HH32 CH3 HH31 109.470 3.000
T2T "C2'" "C1'" "H1'" 108.340 3.000
T2T "C2'" "C1'" "O4'" 109.470 3.000
T2T "C2'" "C1'" N1 109.470 3.000
T2T "H1'" "C1'" "O4'" 109.470 3.000
T2T "H1'" "C1'" N1 109.470 3.000
T2T "O4'" "C1'" N1 109.470 3.000
T2T "C1'" "O4'" "C4'" 111.800 3.000
T2T "C1'" N1 C2 120.000 3.000
T2T "C1'" N1 C6 120.000 3.000
T2T C2 N1 C6 120.000 3.000
T2T N1 C2 O2 120.000 3.000
T2T N1 C2 N3 120.000 3.000
T2T O2 C2 N3 120.000 3.000
T2T C2 N3 HN3 120.000 3.000
T2T C2 N3 C4 120.000 3.000
T2T HN3 N3 C4 120.000 3.000
T2T N1 C6 H6 120.000 3.000
T2T N1 C6 C5 120.000 3.000
T2T H6 C6 C5 120.000 3.000
T2T C6 C5 C5A 120.000 3.000
T2T C6 C5 C4 120.000 3.000
T2T C5A C5 C4 120.000 3.000
T2T C5 C5A H5A3 109.470 3.000
T2T C5 C5A H5A2 109.470 3.000
T2T C5 C5A H5A1 109.470 3.000
T2T H5A3 C5A H5A2 109.470 3.000
T2T H5A3 C5A H5A1 109.470 3.000
T2T H5A2 C5A H5A1 109.470 3.000
T2T C5 C4 O4 120.000 3.000
T2T C5 C4 N3 120.000 3.000
T2T O4 C4 N3 120.000 3.000
T2T "C3'" "O3'" "HO3'" 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
T2T var_1 OP3 P "O5'" "C5'" -54.232 20.000 1
T2T var_2 P "O5'" "C5'" C4X 179.964 20.000 1
T2T var_3 "O5'" "C5'" C4X C3X 179.557 20.000 3
T2T var_4 "C5'" C4X O4X C1X 150.000 20.000 1
T2T var_5 "C5'" C4X C3X CH2 90.000 20.000 3
T2T var_6 C4X C3X C2X C1X 30.000 20.000 3
T2T var_7 C3X C2X C1X N1B 90.000 20.000 3
T2T var_8 C2X C1X O4X C4X 0.000 20.000 1
T2T var_9 C2X C1X N1B C2B 93.768 20.000 1
T2T CONST_1 C1X N1B C6B C5B 180.000 0.000 0
T2T CONST_2 C1X N1B C2B N3B 180.000 0.000 0
T2T CONST_3 N1B C2B N3B C4B 0.000 0.000 0
T2T CONST_4 C2B N3B C4B C5B 0.000 0.000 0
T2T CONST_5 N3B C4B C5B C6B 0.000 0.000 0
T2T var_10 C4B C5B CAB HAB1 161.873 20.000 1
T2T CONST_6 C4B C5B C6B N1B 0.000 0.000 0
T2T var_11 C4X C3X CH2 CP 175.999 20.000 3
T2T var_12 C3X CH2 CP CX 59.613 20.000 3
T2T var_13 CH2 CP C2P H2P1 -62.271 20.000 3
T2T var_14 CH2 CP CX N5X 58.652 20.000 3
T2T CONST_7 CP CX N5X C5X 180.000 0.000 0
T2T var_15 CX N5X C5X "C4'" 90.022 20.000 3
T2T var_16 N5X C5X "C4'" "C3'" 179.646 20.000 3
T2T var_17 C5X "C4'" "O4'" "C1'" 120.000 20.000 1
T2T var_18 C5X "C4'" "C3'" "O3'" 150.000 20.000 3
T2T var_19 "C4'" "C3'" "C2'" "C1'" -30.000 20.000 3
T2T var_20 "C3'" "C2'" "O2'" CH3 -60.097 20.000 1
T2T var_21 "C2'" "O2'" CH3 HH31 -162.173 20.000 1
T2T var_22 "C3'" "C2'" "C1'" N1 150.000 20.000 3
T2T var_23 "C2'" "C1'" "O4'" "C4'" 0.000 20.000 1
T2T var_24 "C2'" "C1'" N1 C6 -85.598 20.000 1
T2T CONST_8 "C1'" N1 C2 N3 180.000 0.000 0
T2T CONST_9 N1 C2 N3 C4 0.000 0.000 0
T2T CONST_10 "C1'" N1 C6 C5 180.000 0.000 0
T2T CONST_11 N1 C6 C5 C4 0.000 0.000 0
T2T var_25 C6 C5 C5A H5A1 17.532 20.000 1
T2T CONST_12 C6 C5 C4 O4 180.000 0.000 0
T2T CONST_13 C5 C4 N3 C2 0.000 0.000 0
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
T2T chir_01 C4X "C5'" O4X C3X negativ
T2T chir_02 C1X O4X N1B C2X negativ
T2T chir_03 C3X C4X C2X CH2 positiv
T2T chir_04 CP CH2 C2P CX positiv
T2T chir_05 "C4'" C5X "O4'" "C3'" negativ
T2T chir_06 "C1'" N1 "O4'" "C2'" positiv
T2T chir_07 "C2'" "C1'" "O2'" "C3'" positiv
T2T chir_08 "C3'" "C4'" "C2'" "O3'" positiv
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
T2T plan-1 C4 0.020
T2T plan-1 N3 0.020
T2T plan-1 C5 0.020
T2T plan-1 O4 0.020
T2T plan-1 C2 0.020
T2T plan-1 N1 0.020
T2T plan-1 C6 0.020
T2T plan-1 HN3 0.020
T2T plan-1 O2 0.020
T2T plan-1 "C1'" 0.020
T2T plan-1 H6 0.020
T2T plan-1 C5A 0.020
T2T plan-2 N1B 0.020
T2T plan-2 C1X 0.020
T2T plan-2 C6B 0.020
T2T plan-2 C2B 0.020
T2T plan-2 N3B 0.020
T2T plan-2 C4B 0.020
T2T plan-2 C5B 0.020
T2T plan-2 H6B 0.020
T2T plan-2 O2B 0.020
T2T plan-2 H3B 0.020
T2T plan-2 O4B 0.020
T2T plan-2 CAB 0.020
T2T plan-3 CX 0.020
T2T plan-3 CP 0.020
T2T plan-3 OX 0.020
T2T plan-3 N5X 0.020
T2T plan-3 H5X 0.020
T2T plan-4 N5X 0.020
T2T plan-4 CX 0.020
T2T plan-4 C5X 0.020
T2T plan-4 H5X 0.020
# ------------------------------------------------------
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