# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3nxu # POINT_FILE ./pocket_res_ptf/3nxu_RIT_A_600.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_3nxu_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 74 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 0 1 0 0 0 0 1 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.2465 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 385 0 0 0 0 0 0 0 1 0 0 0 0 0 4 1 0 0 0 0 0 0 0 5 0 0 1 5 1 0 0 0 0 0 0 0 0 0 1 5 0 0 0 1 5 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 -0.814 4 3 0 1 0 0 0 0 0 1 3 1 85.115 0 0 0 0 2 8 304 0 0 0 0 0 0 0 0 0 0 0 0 0 3 1 0 0 0 0 0 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 2 3 2 1 0 0 0 2 0 0 0 0 0 -0.48 10 7 1 2 0 0 0 1 0 2 2 7 257.717 0 0 0 0 0 9 513 0 2 0 0 0 0 0 3 0 0 0 0 0 2 3 0 0 0 0 0 0 0 5 2 0 3 5 3 2 0 0 0 0 0 0 0 0 3 7 0 0 0 3 7 0 0 0 8 3 1 0 0 0 0 0 0 0 0 0 -0.9098 12 11 1 0 0 0 0 1 0 0 3 2 361.78 0 0 0 0 7 29 534 0 4 0 0 0 0 0 0 0 2 0 0 0 3 3 0 0 0 0 0 0 0 8 4 0 0 8 0 4 0 0 0 2 0 0 0 0 0 10 0 0 2 0 10 0 0 2 13 2 2 2 0 0 1 0 1 0 0 0 -2.0163 23 17 4 2 0 0 1 2.5 1.5 1 1 7 651.683 0.666 0 0.666 0.666 4 37 468 0 4 0 0 0 0 0 0 0 7 0 0 0 1 3 0 4 0 0 4 0 0 15 4 4 0 15 4 4 0 0 0 11 0 0 0 0 3 9 0 0 11 3 9 0 0 # 42.1 -9.02 31.27 Env_3nxu_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 58 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 1 0 0 0 0 1 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 1 268 0 0 0 0 0 0 0 1 0 0 5 0 0 0 0 0 0 0 0 0 0 0 5 0 0 1 5 1 0 0 0 0 0 0 0 0 0 5 1 0 0 0 5 1 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 -0.6268 3 2 0 1 0 0 0 0 0 1 0 1 78.514 0 0 0 0 1 5 142 0 0 0 0 0 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 1 2 1 0 0 0 0 0 0 0 0 0 3 0 0 0 0 3 0 0 0 2 4 0 2 0 0 0 2 0 0 0 0 0 -1.3718 10 6 2 2 0 0 0 2 0 2 0 8 252.322 0 0 0 0 -2 4 233 0 0 0 0 0 1 0 4 0 0 5 0 0 0 0 0 0 0 0 0 0 0 5 0 1 4 5 5 0 0 0 0 0 0 0 0 0 5 5 0 0 0 5 5 0 0 1 4 0 0 0 0 0 3 0 0 1 0 0 -1.4191 9 5 0 3 1 0 0 0 0 3 0 4 215.622 0 0 0 0 0 13 404 0 0 0 0 0 5 0 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 3 0 5 1 3 6 0 0 0 0 0 0 0 0 0 3 6 0 0 0 3 6 0 0 4 11 4 3 0 0 0 4 0 1 0 0 0 -3.5484 27 19 3 5 0 0 1 3 0 4 4 12 718.628 0 0 0 0 5 42 988 0 0 0 0 0 3 0 1 0 3 7 0 3 8 0 2 0 0 0 0 0 0 21 0 5 1 21 6 0 0 0 0 3 0 0 0 0 9 15 0 0 3 9 15 0 0 # 34.79 -18.81 35.93