# EXCLUDED_RESIDUES HETATM # PDBID_LIST 1dxo # POINT_FILE 1dxo_DQN.ptf # PROPERTIES ATOM_TYPE_IS_C, ATOM_TYPE_IS_CT, ATOM_TYPE_IS_CA, # PROPERTIES ATOM_TYPE_IS_N, ATOM_TYPE_IS_N2, ATOM_TYPE_IS_N3, # PROPERTIES ATOM_TYPE_IS_NA, ATOM_TYPE_IS_O, ATOM_TYPE_IS_O2, # PROPERTIES ATOM_TYPE_IS_OH, ATOM_TYPE_IS_S, ATOM_TYPE_IS_SH, # PROPERTIES ATOM_TYPE_IS_OTHER, PARTIAL_CHARGE, ELEMENT_IS_ANY, # PROPERTIES ELEMENT_IS_C, ELEMENT_IS_N, ELEMENT_IS_O, ELEMENT_IS_S, # PROPERTIES ELEMENT_IS_OTHER, HYDROXYL, AMIDE, AMINE, CARBONYL, # PROPERTIES RING_SYSTEM, PEPTIDE, VDW_VOLUME, CHARGE, NEG_CHARGE, # PROPERTIES POS_CHARGE, CHARGE_WITH_HIS, HYDROPHOBICITY, MOBILITY, # PROPERTIES SOLVENT_ACCESSIBILITY, RESIDUE_NAME_IS_ALA, # PROPERTIES RESIDUE_NAME_IS_ARG, RESIDUE_NAME_IS_ASN, RESIDUE_NAME_IS_ASP, # PROPERTIES RESIDUE_NAME_IS_CYS, RESIDUE_NAME_IS_GLN, RESIDUE_NAME_IS_GLU, # PROPERTIES RESIDUE_NAME_IS_GLY, RESIDUE_NAME_IS_HIS, RESIDUE_NAME_IS_ILE, # PROPERTIES RESIDUE_NAME_IS_LEU, RESIDUE_NAME_IS_LYS, RESIDUE_NAME_IS_MET, # PROPERTIES RESIDUE_NAME_IS_PHE, RESIDUE_NAME_IS_PRO, RESIDUE_NAME_IS_SER, # PROPERTIES RESIDUE_NAME_IS_THR, RESIDUE_NAME_IS_TRP, RESIDUE_NAME_IS_TYR, # PROPERTIES RESIDUE_NAME_IS_VAL, RESIDUE_NAME_IS_HOH, # PROPERTIES RESIDUE_NAME_IS_OTHER, RESIDUE_CLASS1_IS_HYDROPHOBIC, # PROPERTIES RESIDUE_CLASS1_IS_CHARGED, RESIDUE_CLASS1_IS_POLAR, # PROPERTIES RESIDUE_CLASS1_IS_UNKNOWN, RESIDUE_CLASS2_IS_NONPOLAR, # PROPERTIES RESIDUE_CLASS2_IS_POLAR, RESIDUE_CLASS2_IS_BASIC, # PROPERTIES RESIDUE_CLASS2_IS_ACIDIC, RESIDUE_CLASS2_IS_UNKNOWN, # PROPERTIES SECONDARY_STRUCTURE1_IS_3HELIX, SECONDARY_STRUCTURE1_IS_4HELIX, # PROPERTIES SECONDARY_STRUCTURE1_IS_5HELIX, SECONDARY_STRUCTURE1_IS_BRIDGE, # PROPERTIES SECONDARY_STRUCTURE1_IS_STRAND, SECONDARY_STRUCTURE1_IS_TURN, # PROPERTIES SECONDARY_STRUCTURE1_IS_BEND, SECONDARY_STRUCTURE1_IS_COIL, # PROPERTIES SECONDARY_STRUCTURE1_IS_HET, SECONDARY_STRUCTURE1_IS_UNKNOWN, # PROPERTIES SECONDARY_STRUCTURE2_IS_HELIX, SECONDARY_STRUCTURE2_IS_BETA, # PROPERTIES SECONDARY_STRUCTURE2_IS_COIL, SECONDARY_STRUCTURE2_IS_HET, # PROPERTIES SECONDARY_STRUCTURE2_IS_UNKNOWN # SHELLS 6 # SHELL_WIDTH 1.25 # VERBOSITY 0 Env_1dxo_0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0252 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 59 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 2 0 0 2 0 0 0 1 0 0 0 0 0 -0.2047 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 193 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 4 0 5 0 0 0 0 0 0 0 0 0 4 1 0 0 0 4 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 -0.5679 1 0 0 1 0 0 0 0 0 1 0 1 11.494 0 0 0 0 -1 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 4 0 3 0 0 0 1 0 1 0 0 0 -1.6172 10 5 3 2 0 0 1 3 0 1 0 8 238.612 0 0 0 0 -5 3 133 0 0 0 0 0 0 0 3 0 1 0 0 0 0 0 2 4 0 0 0 0 0 1 0 6 3 1 9 0 0 0 1 0 0 0 0 0 3 6 0 0 1 3 6 0 0 3 5 1 2 0 0 0 2 0 0 0 0 0 -0.8332 13 9 2 2 0 0 0 2 0 2 1 9 345.863 0 0 0 0 -2 8 477 0 0 0 0 0 0 0 2 1 2 0 0 0 0 0 4 3 0 1 0 0 0 2 0 9 2 2 10 1 0 0 5 0 0 0 2 0 0 6 0 0 5 2 6 0 0 3 8 3 1 0 0 1 3 0 3 0 0 0 -2.7564 22 14 2 6 0 0 3 1.5 0.5 3 5 9 549.969 0 0 0 0.5 -2 36 927 0 0 0 0 0 0 0 1 3 2 2 0 1 0 0 2 4 0 7 0 0 0 5 0 16 1 5 14 3 0 0 10 0 0 0 4 0 0 8 0 0 10 4 8 0 0 # -32.895 -28.541 -27.504 # 1dxo_D_302_DQN_149_G_1_B Env_1dxo_1 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0252 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 10 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 2 0 0 2 0 0 0 1 0 0 0 0 0 -0.2047 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 118 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 4 0 5 0 0 0 0 0 0 0 0 0 4 1 0 0 0 4 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.6214 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 4 79 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 0 0 1 0 0 0 0 0 1 0 0 0 1 1 0 0 0 3 7 1 2 0 0 0 2 0 3 1 0 0 -2.1308 19 11 2 5 1 0 3 2 0 2 2 9 477.944 0 0 0 0 -4 27 444 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 8 4 0 3 0 0 0 2 0 15 2 2 17 0 0 0 5 0 0 0 0 0 2 12 0 0 5 2 12 0 0 2 5 3 1 0 0 1 0 0 1 0 0 0 -1.0217 13 10 2 1 0 0 1 1.5 0.5 0 4 5 366.006 0 0 0 0.5 2 19 360 0 0 0 0 0 0 0 1 2 0 0 0 1 0 0 2 2 0 5 0 0 0 1 0 11 1 1 10 2 0 0 3 0 0 0 0 2 0 8 0 0 3 2 8 0 0 2 2 8 5 0 0 2 2 0 0 0 0 0 -3.4219 21 12 7 2 0 0 0 6 1 2 10 11 456.771 0 0 0 1 -4 31 738 0 0 0 0 0 0 0 2 5 1 0 0 3 0 0 2 1 0 7 0 0 0 4 0 15 2 4 12 5 0 0 13 0 0 0 0 3 0 5 0 0 13 3 5 0 0 # -30.873 -27.654 -30.565 # 1dxo_D_302_DQN_150_G_1_B Env_1dxo_2 0 0 0 0 0 0 0 0 0 0 1 0 0 -0.2736 1 0 0 0 1 0 0 0 0 0 0 0 26.521 0 0 0 0 1 3 20 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 -0.0518 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 2 6 40 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0342 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 20 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 4 6 2 0 0 1 1 0 1 0 0 0 -2.2938 16 11 3 2 0 0 1 2.5 0.5 1 7 6 392.296 0 0 0 0.5 0 27 208 0 0 0 0 0 0 0 2 4 1 0 0 2 4 0 3 0 0 0 0 0 0 7 0 7 2 7 5 4 0 0 2 0 0 0 0 9 2 3 0 0 2 11 3 0 0 6 6 5 3 0 0 1 4 0 2 1 0 0 -2.8127 28 17 4 6 1 0 2 3.5 0.5 4 7 14 685.153 0 0 0 0.5 -1 45 494 0 0 0 0 0 0 0 6 3 1 0 0 4 4 0 5 0 0 5 0 0 0 9 0 13 6 9 16 3 0 0 9 0 0 0 0 10 4 5 0 0 9 14 5 0 0 4 11 8 4 0 0 0 4 0 0 0 0 0 -2.9933 31 23 4 4 0 0 0 4 0 4 8 19 811.4 0 0 0 0 3 34 911 0 0 1 0 0 0 0 7 1 5 0 0 0 6 0 4 0 0 7 0 0 0 11 0 13 7 11 19 1 0 0 14 0 0 2 0 12 3 0 0 0 14 17 0 0 0 # -27.376 -27.735 -32.53 # 1dxo_D_302_DQN_154_M_1_B Env_1dxo_3 0 0 1 0 0 0 2 0 0 0 0 0 0 -0.6593 3 1 2 0 0 0 0 1 1 0 3 0 61.237 0 0 0 1 -2 11 390 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 3 0 0 3 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 -0.0338 2 2 0 0 0 0 0 0 0 0 2 0 47.1 0 0 0 0 0 5 260 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 -0.0655 2 2 0 0 0 0 0 0 0 0 0 1 67.02 0 0 0 0 1 1 260 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 1 0 1 1 0 0 0 1 0 0 0 0 0 -0.5566 4 2 1 1 0 0 0 1 0 1 1 3 85.662 0 0 0 0 -1 4 373 0 0 0 0 0 0 0 2 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 1 2 1 2 1 0 0 3 0 0 0 0 1 0 0 0 0 3 1 0 0 0 1 3 2 2 0 0 0 3 0 1 0 0 0 -2.6633 12 6 2 4 0 0 1 2 0 3 2 8 266.995 0 0 0 0 -4 11 805 0 0 0 0 0 0 0 3 2 0 0 0 0 2 0 4 1 0 0 0 0 0 2 0 7 3 2 8 2 0 0 4 0 0 0 0 2 1 5 0 0 4 3 5 0 0 3 1 3 1 0 0 0 1 0 0 0 0 0 0.4989 9 7 1 1 0 0 0 1 0 1 3 6 233.292 0 0 0 0 1 9 621 0 0 0 0 0 0 0 2 0 3 0 0 0 3 0 1 0 0 0 0 0 0 6 0 1 2 6 3 0 0 0 3 0 0 0 0 3 2 1 0 0 3 5 1 0 0 # -29.195 -23.042 -24.638 # 1dxo_D_302_DQN_194_H_1_B Env_1dxo_4 0 0 0 0 0 0 0 0 0 1 0 0 0 -0.5579 1 0 0 1 0 0 1 0 0 0 0 0 17.157 0 0 0 0 -1 6 61 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 -0.1454 3 3 0 0 0 0 0 0 0 0 3 0 73.621 0 0 0 0 2 13 183 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 3 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 3 0 0 0 0 2 0 0 0 0 0 1 0 0 0 0 -1.1997 3 2 0 1 0 0 0 0 0 0.5 2 0 67.179 0.333 0.333 0 0.333 1 10 199 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 1 2 0 0 2 0 1 0 0 0 0 0 0 1 0 2 0 0 0 1 2 0 0 2 3 1 3 0 0 0 1 0 0 0 0 0 -0.5542 10 6 3 1 0 0 0 3 0 1 1 6 229.103 0.333 0.333 0 0.333 -1 8 596 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 4 0 3 0 0 0 0 3 7 0 0 7 0 3 0 0 0 0 0 0 3 2 5 0 0 0 5 5 0 0 3 9 3 1 0 0 0 2 1 0 0 0 0 -1.4233 19 15 1 3 0 0 0 1 0 2.5 3 9 527.003 0.333 0.333 0 0.333 4 21 1055 1 0 0 0 0 0 3 3 0 0 0 0 0 0 0 0 2 0 8 2 0 0 3 3 10 3 3 13 0 3 0 0 2 0 0 0 7 5 5 0 0 2 12 5 0 0 2 4 2 3 0 0 0 2 0 1 0 0 0 -2.5332 14 8 3 3 0 0 1 3 0 2 3 8 323.727 0 0 0 0 -2 17 824 2 0 0 0 0 0 2 1 0 0 0 0 0 1 0 0 1 0 6 1 0 0 4 2 7 1 4 8 0 2 0 0 1 0 0 0 6 4 3 0 0 1 10 3 0 0 # -23.185 -32.603 -22.768 # 1dxo_D_302_DQN_126_Y_1_D Env_1dxo_5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 5 0 0 0 0 0 0 0 0 0 0 -0.5274 6 6 0 0 0 0 0 0 0 0 6 0 147.242 0 0 0 0 5 21 492 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 6 0 0 6 0 0 0 0 0 0 0 0 0 6 0 0 0 0 6 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0.0241 3 2 0 1 0 0 1 0 0 0 0 1 84.177 0 0 0 0 0 7 246 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 3 0 0 0 0 0 0 0 0 0 3 0 0 0 0 3 0 0 0 0 2 4 1 0 0 0 2 0 0 0 0 0 -2.0738 9 6 1 2 0 0 0 1 0 2 4 5 210.229 0 0 0 0 1 18 597 2 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 1 0 2 0 0 0 6 0 3 0 6 3 0 0 0 0 0 0 0 0 6 2 1 0 0 0 8 1 0 0 2 2 4 1 0 0 0 1 0 1 0 0 0 -1.2831 11 8 1 2 0 0 1 1 0 1 4 4 282.912 0 0 0 0 3 26 686 2 0 0 0 0 0 0 0 0 0 1 0 1 3 0 0 1 0 3 0 0 0 7 0 4 0 7 4 0 0 0 0 0 0 0 0 5 1 5 0 0 0 6 5 0 0 3 5 6 3 0 0 0 1 0 0 1 0 0 -1.1058 19 14 3 1 1 0 0 3 0 1 7 9 482.817 0 0 0 0 5 27 1037 2 0 3 0 0 0 0 0 0 0 1 0 3 7 0 0 1 0 2 0 0 0 13 0 6 0 13 6 0 0 0 0 0 0 0 0 9 3 7 0 0 0 12 7 0 0 # -21.827 -28.12 -26.85 # 1dxo_D_302_DQN_128_Y_1_D Env_1dxo_6 0 0 0 0 0 0 0 0 0 1 0 0 0 -0.5579 1 0 0 1 0 0 1 0 0 0 0 0 17.157 0 0 0 0 -1 6 82 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 -0.1454 3 3 0 0 0 0 0 0 0 0 3 0 73.621 0 0 0 0 2 13 246 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 3 0 0 0 0 0 0 0 0 0 3 0 0 0 0 3 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 -0.7839 5 5 0 0 0 0 0 0 0 0 5 0 132.605 0 0 0 0 5 18 545 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 2 0 0 0 3 0 2 0 3 2 0 0 0 0 0 0 0 0 3 2 0 0 0 0 5 0 0 0 1 1 7 1 0 0 0 1 0 0 0 0 0 -1.1048 11 9 1 1 0 0 0 1 0 1 7 4 266.414 0 0 0 0 5 24 782 0 0 2 0 0 0 0 0 0 0 1 0 0 7 0 0 0 0 1 0 0 0 8 0 3 0 8 3 0 0 0 0 0 0 0 0 7 3 1 0 0 0 10 1 0 0 2 4 2 2 0 0 0 2 0 0 0 0 0 -1.2794 12 8 2 2 0 0 0 2 0 2 2 7 305.364 0 0 0 0 1 9 831 1 0 3 0 0 0 0 0 0 0 1 0 0 4 0 0 0 0 3 0 0 0 6 0 6 0 6 6 0 0 0 0 0 0 0 0 5 6 1 0 0 0 11 1 0 0 2 6 1 1 0 0 0 3 0 0 0 0 0 -1.1882 13 9 1 3 0 0 0 1 0 3 1 7 324.347 0 0 0 0 0 13 937 2 0 2 0 0 1 0 0 0 0 2 0 1 3 0 0 1 0 1 0 0 0 8 0 5 0 8 5 0 0 0 0 0 0 0 0 6 3 4 0 0 0 9 4 0 0 # -21.386 -25.417 -27.322 # 1dxo_D_302_DQN_128_Y_2_D Env_1dxo_7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 -0.6869 6 6 0 0 0 0 0 0 0 0 6 0 153.184 0 0 0 0 6 21 762 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 6 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 6 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 -0.5921 2 1 0 1 0 0 1 0 0 0 0 0 50.667 0 0 0 0 0 7 209 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 0 1 0 1 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 2 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 -0.3294 4 3 1 0 0 0 0 1 0 0 2 2 94.747 0 0 0 0 0 9 418 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 2 0 2 0 2 2 0 0 0 0 0 0 0 0 2 2 0 0 0 0 4 0 0 0 2 1 6 1 0 0 2 2 0 0 0 0 0 -1.8295 14 9 3 2 0 0 0 2 1 2 8 6 331.497 0 0 0 1 0 30 1214 0 0 3 0 0 1 0 0 3 0 0 0 0 5 0 0 0 0 2 0 0 0 5 0 9 0 5 6 3 0 0 3 0 0 0 0 6 5 0 0 0 3 11 0 0 0 0 3 6 1 0 0 0 2 0 0 0 0 0 -2.221 12 9 1 2 0 0 0 1 0 2 6 3 278.955 0 0 0 0 3 24 892 0 0 3 0 0 1 0 0 2 0 1 0 1 2 0 0 0 0 2 0 0 0 4 0 8 0 4 6 2 0 0 3 0 0 0 0 3 5 1 0 0 3 8 1 0 0 # -23.904 -23.053 -26.899 # 1dxo_D_302_DQN_232_F_1_D