# EXCLUDED_RESIDUES HETATM # PDBID_LIST 1d3g # POINT_FILE ./pocket_res_ptf/1d3g_BRE_A_397.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_1d3g_0 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0337 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 17 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.3872 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 134 4 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 4 0 2 0 4 1 1 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 -1.1427 2 0 0 2 0 0 0 0 0 2 0 2 22.988 0 0 0 0 -2 0 65 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 1 0 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 3 9 0 3 0 0 0 2 0 0 0 0 0 -0.8041 17 12 3 2 0 0 0 3 0 2 0 11 467.519 0 0 0 0 0 9 735 0 1 0 1 0 0 2 0 3 0 5 0 0 0 2 3 0 0 0 0 0 0 7 4 6 0 7 3 4 3 0 0 13 0 0 0 0 3 1 0 0 13 3 1 0 0 4 13 1 4 1 0 0 3 0 1 0 0 0 -3.6909 27 18 5 4 0 0 1 4.5 0.5 3 1 16 722.865 0.333 0 0.333 0.333 -1 28 1438 3 4 0 2 0 0 2 0 2 0 12 0 0 0 1 1 0 0 0 0 0 0 16 8 3 0 16 1 6 4 0 0 20 0 0 1 0 4 2 0 0 20 5 2 0 0 3 13 2 3 1 0 1 2 2 0 0 0 0 -3.326 27 18 5 4 0 0 0 4 1 3 2 10 702.568 1.665 0.999 0.666 2.165 0 41 1441 1 4 0 5 0 3 2 0 2 0 6 0 0 0 3 0 0 0 0 1 0 0 11 11 5 0 11 3 6 7 0 0 20 0 0 1 0 1 5 0 0 20 2 5 0 0 # 53.32 39.39 -4.91 Env_1d3g_1 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0518 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 51 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.3149 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 327 0 0 0 0 0 1 0 0 0 0 4 0 0 0 0 0 1 0 0 0 0 0 4 0 2 0 4 2 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 -1.1947 4 2 0 2 0 0 0 0 0 2 0 2 90.008 0 0 0 0 0 5 209 0 0 0 0 0 0 0 0 0 0 2 0 1 0 0 0 1 0 0 0 0 0 3 0 1 0 3 1 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 3 9 0 3 0 0 0 2 0 0 0 0 0 -1.1104 17 12 3 2 0 0 0 3 0 2 0 10 467.519 0 0 0 0 1 13 1282 0 0 0 0 0 3 0 1 0 0 6 0 1 0 2 0 4 0 0 0 0 0 9 0 7 1 9 8 0 0 0 0 17 0 0 0 0 0 0 0 0 17 0 0 0 0 3 11 0 3 0 0 0 1 0 1 0 0 0 -1.4146 19 14 3 2 0 0 1 3 0 1 0 13 540.202 0 0 0 0 0 13 1106 0 0 0 0 0 2 0 2 0 0 10 0 2 0 2 0 1 0 0 0 0 0 14 0 3 2 14 5 0 0 0 0 14 0 0 0 0 5 0 0 0 14 5 0 0 0 3 13 1 2 1 0 0 5 0 0 1 0 0 -3.804 26 17 3 5 1 0 0 2.5 0.5 5 0 8 690.794 0.666 0 0.666 0.666 4 49 1351 2 2 0 0 0 3 0 1 2 0 9 0 4 0 3 0 0 0 0 0 0 0 18 2 5 1 18 4 4 0 0 0 19 0 0 2 2 3 0 0 0 19 7 0 0 0 # 53.18 44.44 -10.22 Env_1d3g_2 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0581 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 28 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.1444 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 252 1 1 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 4 0 1 0 5 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 2 0 0 0 0 3 0 0 0 0 0 -1.7584 5 2 0 3 0 0 0 0 0 3 2 3 81.582 0 0 0 0 -3 5 109 1 0 0 0 0 0 1 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 2 1 2 0 2 0 2 1 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 4 6 1 3 0 0 2 1 0 0 0 0 0 -0.5726 17 11 5 1 0 0 0 4 1 1 3 11 450.242 0 0 0 1 -3 14 743 5 3 0 0 0 0 2 0 3 0 1 0 0 0 1 2 0 0 0 0 0 0 7 5 5 0 7 2 6 2 0 0 17 0 0 0 0 0 0 0 0 17 0 0 0 0 2 10 3 3 0 0 0 1 0 1 0 0 0 -1.795 20 15 3 2 0 0 1 3 0 1 3 10 552.745 0 0 0 0 4 27 678 2 2 0 0 0 0 3 0 0 0 3 0 0 3 1 2 0 0 1 3 0 0 12 5 3 0 12 3 2 3 0 0 16 0 0 0 0 3 1 0 0 16 3 1 0 0 4 7 4 2 0 0 0 4 0 1 0 0 0 -2.3377 22 15 2 5 0 0 1 2 0 4 6 9 534.297 0 0 0 0 1 41 920 1 2 0 2 0 0 0 0 0 0 2 0 0 3 2 1 1 0 5 3 0 0 11 4 7 0 11 7 2 2 0 0 12 0 0 0 0 6 4 0 0 12 6 4 0 0 # 52.21 38.76 -1.31 Env_1d3g_3 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0237 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 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 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.0096 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 175 0 0 0 0 0 0 0 0 0 0 1 0 4 0 1 0 0 0 0 0 0 0 6 0 0 0 6 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 2 0 0 0 0 0 2 0 0 1 0 0 -1.3885 5 2 0 2 1 0 0 0 0 2 0 2 116.529 0 0 0 0 0 6 152 0 0 0 0 0 0 0 0 0 0 1 0 2 0 1 0 0 0 1 0 0 0 4 0 1 0 4 1 0 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 3 9 0 3 0 0 0 2 0 0 0 0 0 -0.9979 17 12 3 2 0 0 0 3 0 2 0 10 467.519 0 0 0 0 2 14 862 0 0 0 0 0 0 0 0 2 0 7 0 1 1 4 0 1 0 1 0 0 0 13 0 4 0 13 2 2 0 0 0 15 0 0 0 2 0 0 0 0 15 2 0 0 0 6 13 1 5 0 0 0 5 0 0 0 0 0 -2.3076 30 20 5 5 0 0 0 5 0 5 1 19 788.727 0 0 0 0 -3 27 1373 4 0 0 0 0 7 0 1 2 0 5 0 0 2 1 0 4 1 3 0 0 0 12 0 17 1 13 15 2 0 0 0 27 0 0 0 2 0 1 0 0 27 2 1 0 0 4 9 3 5 0 0 0 5 0 1 0 0 0 -4.749 27 16 5 6 0 0 1 5 0 5 3 18 654.563 0 0 0 0 -3 20 1573 1 0 0 0 0 1 4 2 1 0 3 0 0 4 0 0 4 4 3 0 0 0 8 4 13 2 12 10 1 4 0 0 25 0 0 0 1 0 1 0 0 25 1 1 0 0 # 50.46 48.2 -8.3 Env_1d3g_4 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0388 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 40 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 2 1 0 2 0 0 0 1 0 1 0 0 0 -0.5155 7 3 2 2 0 0 1 2 0 1 0 5 157.455 0 0 0 0 -4 3 222 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 5 0 0 0 0 0 2 0 5 0 2 5 0 0 0 0 7 0 0 0 0 0 0 0 0 7 0 0 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 -1.3795 3 1 0 2 0 0 0 0 0 2 0 2 56.498 0 0 0 0 -1 2 68 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 1 0 2 0 1 2 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 3 6 0 3 0 0 0 2 0 0 0 0 0 -1.015 14 9 3 2 0 0 0 3 0 2 0 9 377.281 0 0 0 0 -1 12 286 2 0 0 0 0 1 0 0 0 0 4 0 1 3 0 0 1 1 1 0 0 0 10 0 4 0 11 3 0 0 0 0 13 0 0 0 0 1 0 0 0 13 1 0 0 0 3 7 5 3 0 0 0 1 0 0 1 0 0 -1.9242 20 15 3 1 1 0 0 3 0 1 5 10 529.258 0 0 0 0 5 29 436 2 0 0 0 0 1 0 2 0 0 2 0 1 5 0 0 3 2 2 0 0 0 10 0 8 2 12 8 0 0 0 0 16 0 0 0 0 2 2 0 0 16 2 2 0 0 1 8 9 0 1 0 0 3 0 1 0 0 0 -3.513 23 18 1 4 0 0 1 0 1 3 9 4 594.671 0 0 0 0 9 50 761 1 1 0 0 0 2 0 2 0 0 0 0 2 4 0 0 2 5 3 1 0 0 8 1 12 2 13 9 1 0 0 0 14 0 0 2 0 5 2 0 0 14 7 2 0 0 # 46.82 44.74 -2.55 Env_1d3g_5 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0337 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 34 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.3872 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 201 4 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 6 0 0 0 6 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 -1.7037 3 0 0 3 0 0 0 0 0 3 0 3 34.482 0 0 0 0 -3 0 95 1 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 2 0 1 0 2 0 1 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 4 6 1 3 0 0 0 1 0 1 0 0 0 0.342 16 11 3 2 0 0 1 3 0 1 1 10 432.683 0 0 0 0 0 12 870 1 3 0 0 0 0 0 0 1 0 4 0 0 3 0 0 1 0 0 3 0 0 11 3 2 0 11 1 4 0 0 0 15 0 0 0 0 1 0 0 0 15 1 0 0 0 2 12 5 3 0 0 0 1 0 0 0 0 0 -2.7814 23 19 3 1 0 0 0 3 0 1 5 12 649.708 0 0 0 0 5 28 1282 1 5 0 0 0 0 0 0 3 0 2 0 0 6 0 0 3 0 0 3 0 0 12 5 6 0 12 3 8 0 0 0 21 0 0 0 0 2 0 0 0 21 2 0 0 0 2 8 6 2 1 0 1 3 0 0 0 0 0 -4.1249 23 16 4 3 0 0 0 3 1 3 7 7 590.106 0.333 0 0.333 0.833 6 44 1150 2 4 0 0 0 0 0 0 3 0 2 0 1 6 0 3 2 0 0 0 0 0 11 4 8 0 11 5 7 0 0 0 20 0 0 0 0 3 0 0 0 20 3 0 0 0 # 55.25 42.59 -0.23 Env_1d3g_6 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0518 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 12 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.3149 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 95 1 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 1 0 0 0 0 0 5 0 1 0 5 1 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 -1.1947 4 2 0 2 0 0 0 0 0 2 0 2 90.008 0 0 0 0 0 5 83 1 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 1 0 0 0 3 0 1 0 3 1 0 0 0 0 3 0 0 0 0 1 0 0 0 3 1 0 0 0 4 9 0 4 0 0 0 2 0 0 0 0 0 -1.6438 19 13 4 2 0 0 0 4 0 2 0 13 515.166 0 0 0 0 -1 12 362 3 0 0 0 0 0 0 4 0 0 2 0 0 1 0 0 6 1 1 1 0 0 7 0 8 4 8 11 0 0 0 0 13 0 0 1 0 1 4 0 0 13 2 4 0 0 2 12 3 3 0 0 0 2 0 1 0 0 0 -2.0365 23 17 3 3 0 0 1 3 0 2 3 12 625.317 0 0 0 0 2 22 815 0 0 0 0 0 0 0 0 0 0 1 0 1 3 3 0 4 6 3 2 0 0 10 0 13 0 16 7 0 0 0 0 16 0 0 1 3 3 0 0 0 16 7 0 0 0 3 12 10 3 0 0 1 4 0 0 2 0 0 -4.3639 35 25 4 4 2 0 0 3 1 4 11 12 912.042 0 0 0 0 13 62 567 0 0 0 0 0 0 0 0 0 1 5 0 3 8 5 0 2 2 3 6 0 0 28 0 7 0 30 5 0 0 0 0 16 0 0 6 4 5 4 0 0 16 15 4 0 0 # 46.53 47.32 0.23 Env_1d3g_7 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0024 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 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.3396 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 51 0 0 0 1 0 0 0 1 0 0 0 0 0 4 0 0 0 0 0 0 0 0 4 1 0 1 4 1 0 1 0 0 0 0 0 0 1 5 0 0 0 0 6 0 0 0 1 0 3 0 0 0 1 1 0 1 0 0 0 -1.3219 7 4 1 2 0 0 1 0.5 0.5 1 5 1 143.43 0 0 0 0.5 0 23 172 0 0 0 0 0 0 0 1 1 0 0 0 0 3 0 0 0 0 2 0 0 0 3 0 3 1 3 3 1 0 0 0 1 0 0 0 1 5 0 0 0 1 6 0 0 0 2 3 9 2 0 0 0 1 0 0 0 0 0 -1.569 17 14 2 1 0 0 0 2 0 1 9 7 446.007 0 0 0 0 5 35 354 2 0 0 3 0 0 0 2 2 0 0 1 0 3 0 0 0 0 4 0 0 0 5 4 6 2 5 6 3 3 0 0 2 0 0 0 4 10 1 0 0 2 14 1 0 0 2 8 2 0 0 0 1 3 0 0 0 0 0 -1.3514 16 12 1 3 0 0 0 0.5 0.5 3 3 6 411.946 0.333 0.333 0 0.833 3 22 236 3 0 0 2 0 0 0 1 2 2 0 4 0 0 0 0 0 0 1 1 0 0 6 6 3 1 6 2 6 2 0 0 3 0 0 3 6 3 1 0 0 3 12 1 0 0 3 16 1 4 0 1 0 3 2 0 0 0 0 -5.1965 30 20 5 5 0 0 0 4 1 4 1 13 816.025 1.666 0.666 1 1.666 4 40 340 5 0 0 2 0 0 1 2 3 5 4 3 0 0 0 0 0 0 3 2 0 0 16 6 6 2 16 5 6 3 0 0 8 0 0 8 6 4 4 0 0 8 18 4 0 0 # 49.05 39.68 5.47