# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3nxo # POINT_FILE ./pocket_res_ptf/3nxo_D2B_A_187.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_3nxo_0 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 35 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 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 -0.2389 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 194 0 0 0 0 0 1 0 0 0 0 0 0 0 4 0 0 0 0 1 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 0 3 0 0 0 0 2 0 0 0 0 0 -1.375 5 3 0 2 0 0 0 0 0 2 3 2 96.609 0 0 0 0 1 8 200 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 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 6 4 3 0 0 0 2 0 0 0 0 0 -1.0088 18 13 3 2 0 0 0 3 0 2 4 10 467.131 0 0 0 0 3 19 815 0 3 0 0 0 3 1 0 0 1 0 0 2 3 0 0 0 0 5 0 0 0 6 4 8 0 6 8 3 1 0 0 17 0 0 1 0 0 0 0 0 17 1 0 0 0 6 14 6 4 0 0 0 1 2 1 0 0 0 -2.9271 34 26 4 4 0 0 1 4 0 2 7 12 908.356 0.999 0.999 0 0.999 6 60 1549 0 5 0 0 0 4 4 0 0 3 0 0 3 7 0 0 5 0 3 0 0 0 13 9 12 0 13 12 5 4 0 0 31 0 0 3 0 0 0 0 0 31 3 0 0 0 2 5 5 2 1 0 0 4 0 2 1 0 0 -5.1009 22 12 3 6 1 0 2 2.5 0.5 4 5 8 526.689 0.333 0 0.333 0.333 1 47 1037 0 4 2 0 0 1 4 0 0 0 0 0 2 4 0 0 3 0 2 0 0 0 6 8 8 0 6 8 4 4 0 0 19 0 0 2 0 1 0 0 0 19 3 0 0 0 # 14.17 9.76 4.97 Env_3nxo_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 91 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 0 0 0 0 0 0 1 0 0 0 0 1 0 0 2 1 0 2 0 0 0 0 0 0 0 0 0 0.3532 5 3 2 0 0 0 0 2 0 0 0 4 128.804 0 0 0 0 -1 1 404 0 0 0 1 0 0 0 0 0 0 3 0 0 0 1 0 0 0 0 0 0 0 4 1 0 0 4 0 0 1 0 0 0 0 1 0 0 1 3 0 0 0 2 3 0 0 0 3 0 0 0 0 0 2 0 0 0 0 0 -1.1895 5 3 0 2 0 0 0 0 0 2 0 2 123.518 0 0 0 0 0 6 404 0 0 0 1 0 0 0 0 0 0 3 0 0 0 1 0 0 0 0 0 0 0 4 1 0 0 4 0 0 1 0 0 0 0 1 0 0 1 3 0 0 0 2 3 0 0 2 7 1 3 0 0 0 2 1 0 0 0 0 -2.1343 16 10 3 3 0 0 0 3 0 2.5 1 9 388.774 0.666 0.666 0 0.666 -2 16 856 0 0 0 5 0 0 0 1 0 1 1 1 0 0 4 0 0 3 0 0 0 0 6 6 3 1 9 1 1 5 0 0 0 0 6 2 0 7 1 0 0 0 15 1 0 0 5 4 7 1 0 0 1 4 1 0 0 0 0 -2.0076 23 16 2 5 0 0 0 1 1 4.5 8 12 570.182 0.333 0.333 0 0.333 1 37 650 0 0 0 1 0 0 0 5 0 1 0 4 0 0 1 0 0 11 0 0 0 0 2 5 11 5 13 5 4 1 0 0 0 0 5 4 2 12 0 0 0 0 23 0 0 0 1 6 0 4 0 0 0 2 0 1 0 0 0 -2.6999 14 7 4 3 0 0 1 4 0 2 0 10 331.263 0 0 0 0 -6 9 838 0 0 1 0 0 0 1 2 0 3 0 2 0 0 4 1 0 0 0 0 0 0 7 3 2 2 7 4 2 1 0 0 0 0 2 3 3 0 6 0 0 0 8 6 0 0 # 17.63 -2.06 -0.9 Env_3nxo_2 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0874 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 0.0938 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 62 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 4 0 0 5 0 0 1 5 1 0 0 0 0 0 0 0 1 0 0 5 0 0 0 1 5 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 -1.2063 3 2 0 1 0 0 0 0 0 1 0 1 78.514 0 0 0 0 1 4 30 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 2 0 0 3 0 0 0 3 0 0 0 0 0 0 0 0 1 0 0 2 0 0 0 1 2 0 0 3 5 1 1 0 0 0 4 0 1 0 0 0 -2.5573 15 9 1 5 0 0 1 1 0 4 2 9 358.94 0 0 0 0 -2 20 52 0 0 0 0 0 0 0 3 0 7 0 0 0 0 0 0 0 2 3 0 0 0 7 0 5 3 9 6 0 0 0 0 3 0 0 9 0 0 3 0 0 3 9 3 0 0 3 11 5 4 0 0 0 0 0 0 0 0 0 -0.6761 23 19 4 0 0 0 0 4 0 0 5 12 658.293 0 0 0 0 7 27 197 0 0 0 0 2 0 0 1 0 8 0 0 3 3 0 0 1 2 2 1 0 0 15 0 7 1 17 6 0 0 0 0 6 0 0 16 0 0 1 0 0 6 16 1 0 0 4 19 6 4 0 0 0 3 0 1 1 1 0 -4.6128 39 29 4 4 2 0 1.5 4 0 3 6 14 1073.26 0 0 0 0 12 55 305 0 0 2 0 4 0 0 4 0 4 1 0 4 2 0 0 3 3 2 10 0 0 21 0 14 4 24 15 0 0 0 0 9 0 0 26 0 0 4 0 0 9 26 4 0 0 # 19.45 10.81 -2.6 Env_3nxo_3 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 89 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 2 1 1 2 0 0 0 1 0 0 0 0 0 -0.2201 7 4 2 1 0 0 0 2 0 1 1 5 160.877 0 0 0 0 -1 3 621 0 1 0 0 0 0 1 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 5 2 0 0 5 0 1 1 0 0 7 0 0 0 0 0 0 0 0 7 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 -1.4222 4 2 0 2 0 0 0 0 0 2 2 2 76.03 0 0 0 0 0 6 339 0 1 0 0 0 0 1 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 2 0 0 2 0 1 1 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 3 5 2 3 0 0 0 2 1 0 0 0 0 -1.7802 16 10 3 3 0 0 0 3 0 2.5 2 10 400.658 0.333 0.333 0 0.333 -1 15 1114 0 4 2 0 0 0 4 0 0 0 1 0 0 4 0 0 0 0 1 0 0 0 5 8 3 0 5 3 4 4 0 0 15 0 0 0 0 0 1 0 0 15 0 1 0 0 4 9 3 3 0 0 0 1 1 0 0 0 0 -0.4946 21 16 3 2 0 0 0 3 0 1.5 3 11 564.362 0.666 0.666 0 0.666 3 25 1219 0 4 2 0 0 3 3 0 0 0 1 0 0 5 0 0 0 0 3 0 0 0 6 7 8 0 6 8 4 3 0 0 20 0 0 0 0 0 1 0 0 20 0 1 0 0 2 7 4 3 1 0 0 3 1 1 0 0 0 -5.2828 22 13 4 5 0 0 1 3 1 3.5 4 7 527.859 0.333 0.333 0 0.333 -1 46 1163 0 4 1 0 0 5 1 0 0 0 4 0 0 3 0 0 0 0 4 0 0 0 7 5 10 0 7 10 4 1 0 0 16 0 0 2 0 0 4 0 0 16 2 4 0 0 # 11.88 5.32 5.37