# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3l3m # POINT_FILE ./pocket_res_ptf/3l3m_A92_A_351.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_3l3m_0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0013 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 48 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 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.2199 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 306 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 4 0 0 0 1 0 4 1 1 5 0 0 0 0 0 0 0 0 2 0 4 0 0 0 2 4 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 -0.9499 4 3 0 1 0 0 0 0 0 1 3 1 85.115 0 0 0 0 2 8 204 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 3 1 0 4 0 0 0 0 0 0 0 0 1 0 3 0 0 0 1 3 0 0 4 3 2 3 0 0 0 2 0 1 0 0 0 -1.309 15 9 3 3 0 0 1 3 0 2 3 10 357.237 0 0 0 0 -3 20 550 0 0 0 0 0 0 0 5 0 0 0 0 3 1 0 0 1 0 4 1 0 0 5 0 5 5 5 10 0 0 0 0 0 0 0 2 7 0 6 0 0 0 9 6 0 0 3 7 3 2 0 0 2 2 0 0 0 0 0 -2.2208 19 13 4 2 0 0 0 3 1 2 6 11 487.71 0 0 0 1 -2 28 847 0 0 0 0 0 0 0 1 3 0 0 2 2 2 0 0 3 0 3 3 0 0 7 2 9 1 7 7 5 0 0 0 0 0 0 2 7 2 8 0 0 0 11 8 0 0 1 7 7 2 0 0 0 2 0 1 1 0 0 -2.4637 21 15 2 3 1 0 1 2 0 2 7 5 530.841 0 0 0 0 7 36 814 1 0 0 0 0 0 0 1 2 0 0 3 1 4 1 0 1 0 4 3 0 0 10 3 7 1 10 6 5 0 0 0 0 0 0 3 6 4 8 0 0 0 13 8 0 0 # 31.63 8.14 30.24 Env_3l3m_1 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0013 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 46 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 1 0 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.2199 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 193 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 4 0 0 0 2 0 4 0 2 4 0 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 0 0 3 0 0 0 0 2 0 0 0 0 0 -1.5178 5 3 0 2 0 0 0 0 0 2 3 2 96.609 0 0 0 0 1 8 144 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 4 0 0 0 1 0 4 0 1 4 0 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 2 7 5 1 0 0 0 1 0 0 0 0 0 -0.9804 16 14 1 1 0 0 0 1 0 1 5 7 453.884 0 0 0 0 6 22 174 0 0 0 0 0 0 0 0 1 6 0 0 0 6 0 0 0 0 3 0 0 0 12 0 4 0 12 3 1 0 0 0 0 0 0 16 0 0 0 0 0 0 16 0 0 0 3 6 5 4 0 0 1 1 0 0 0 0 0 -1.6234 20 14 5 1 0 0 0 4.5 0.5 1 7 8 503.943 0 0 0 0.5 3 36 176 1 0 0 0 0 0 1 2 2 6 0 0 0 4 0 0 0 0 3 1 0 0 12 1 5 2 12 5 2 1 0 0 0 0 1 17 0 2 0 0 0 0 20 0 0 0 3 12 1 1 0 0 1 4 1 1 0 0 0 -3.1234 24 16 2 6 0 0 1 1.5 0.5 4.5 2 12 621.784 0.666 0.666 0 1.166 -1 33 308 1 0 0 0 0 0 6 2 4 2 1 0 0 0 0 0 0 1 2 5 0 0 9 6 7 2 10 4 4 6 0 0 0 0 1 20 0 3 0 0 0 0 24 0 0 0 # 27.52 8.26 21.82 Env_3l3m_2 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0013 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 117 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 1 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.2199 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 552 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 6 0 0 6 0 0 0 0 0 0 0 0 5 1 0 0 0 0 6 0 0 0 0 0 3 0 0 0 0 2 0 0 0 0 0 -1.5178 5 3 0 2 0 0 0 0 0 2 3 2 96.609 0 0 0 0 1 8 436 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 3 0 0 0 0 0 5 0 0 5 0 0 0 0 1 0 0 0 4 0 0 0 0 1 4 0 0 0 4 5 3 3 0 0 1 2 0 0 0 0 0 -1.1581 18 12 4 2 0 0 0 3.5 0.5 2 4 12 460.689 0 0 0 0.5 -3 17 886 2 0 3 0 3 0 0 2 3 0 0 0 0 0 0 3 0 0 2 0 0 0 2 0 14 2 2 13 3 0 0 0 3 0 0 4 5 3 3 0 0 3 12 3 0 0 3 5 2 3 0 0 1 3 0 0 0 1 0 -1.9785 18 10 4 3 1 0 0.5 3.5 0.5 3 4 11 413.311 0 0 0 0.5 -7 19 906 2 1 1 0 2 0 0 2 5 0 0 1 0 0 0 3 0 0 1 0 0 0 2 2 12 2 2 9 7 0 0 0 4 0 0 4 2 2 6 0 0 4 8 6 0 0 3 7 0 3 0 0 0 2 0 2 0 0 0 -2.1312 17 10 3 4 0 0 2 3 0 2 0 7 445.105 0 0 0 0 -4 23 650 1 4 2 0 0 0 0 0 2 0 1 1 0 0 0 4 1 0 1 0 0 0 2 5 10 0 2 8 7 0 0 0 4 0 0 4 3 0 6 0 0 4 7 6 0 0 # 19.88 14.84 26.52 Env_3l3m_3 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 60 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 1 0 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 0 253 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 2 3 0 5 0 0 0 0 0 0 0 0 4 0 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 25 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 1 0 0 0 0 0 1 0 0 0 3 5 1 3 0 0 0 1 0 0 0 0 0 -0.3951 13 9 3 1 0 0 0 3 0 1 1 7 345.867 0 0 0 0 -1 14 650 0 0 0 0 0 3 0 0 0 0 0 0 1 0 0 0 3 0 4 2 0 0 3 0 10 0 3 10 0 0 0 0 3 0 0 0 4 0 6 0 0 3 4 6 0 0 0 5 3 0 0 0 0 2 0 1 0 0 0 -2.6395 11 8 0 3 0 0 1 0 0 2 3 4 281.316 0 0 0 0 2 18 570 0 0 0 0 0 3 0 0 0 0 0 0 1 0 0 0 2 0 4 1 0 0 2 0 9 0 2 9 0 0 0 0 3 0 0 0 3 0 5 0 0 3 3 5 0 0 4 4 2 2 0 0 1 3 0 2 0 0 0 -1.8859 18 10 3 5 0 0 2 2.5 0.5 3 4 8 425.84 0 0 0 0.5 -3 35 969 1 0 0 0 0 3 0 0 2 0 0 0 3 0 2 0 0 0 4 3 0 0 9 0 9 0 9 7 2 0 0 0 4 0 0 1 3 0 10 0 0 4 4 10 0 0 # 30.54 9.9 33.43