# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3eml # POINT_FILE ./pocket_res_ptf/3eml_ZMA_A_401.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_3eml_0 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0397 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 67 0 0 0 0 0 0 1 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 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.4248 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 431 0 0 0 1 0 0 4 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 5 0 0 1 0 0 5 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.5543 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 2 132 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 3 4 2 3 0 0 0 2 3 0 0 0 0 -3.0248 17 9 3 5 0 0 0 3 0 3.5 2 9 376.549 1.332 1.332 0 1.332 -4 21 1051 0 0 0 4 0 0 3 0 0 0 2 0 0 5 0 0 0 0 0 3 0 0 10 7 0 0 10 0 0 7 0 0 13 0 0 0 0 2 2 0 0 13 2 2 0 0 3 8 2 0 0 0 0 1 1 0 1 0 0 -0.634 16 13 0 2 1 0 0 0 0 1.5 2 6 460.873 0.666 0.666 0 0.666 6 23 617 0 0 0 3 0 0 0 0 0 0 2 0 2 2 0 0 0 0 0 7 0 0 13 3 0 0 13 0 0 3 0 0 10 0 0 0 0 4 2 0 0 10 4 2 0 0 1 8 2 4 0 0 1 2 0 0 0 0 0 -3.116 18 11 5 2 0 0 0 4.5 0.5 2 3 8 465.039 0 0 0 0.5 1 26 566 0 0 1 0 0 0 0 0 1 0 2 0 4 2 4 0 0 0 0 4 0 0 16 0 2 0 16 1 1 0 0 0 9 0 0 0 0 2 7 0 0 9 2 7 0 0 # -5.23 -6.85 60.7 Env_3eml_1 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 65 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 -0.3396 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 391 0 0 0 0 0 0 1 0 0 0 1 0 0 4 0 0 0 0 0 0 0 0 5 1 0 0 5 0 0 1 0 0 5 0 0 0 0 0 1 0 0 5 0 1 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 -0.8071 4 3 0 1 0 0 0 0 0 1 3 1 85.115 0 0 0 0 2 8 259 0 0 0 0 0 0 0 0 0 0 1 0 0 3 0 0 0 0 0 0 0 0 4 0 0 0 4 0 0 0 0 0 3 0 0 0 0 0 1 0 0 3 0 1 0 0 1 7 2 3 0 0 0 0 0 0 0 0 0 -1.9222 13 10 3 0 0 0 0 3 0 0 2 6 363.533 0 0 0 0 4 17 651 0 0 0 1 0 0 3 0 0 1 3 0 0 2 0 0 0 0 0 3 0 0 9 4 0 0 9 0 0 4 0 0 9 0 0 0 0 1 3 0 0 9 1 3 0 0 3 12 1 1 0 0 0 3 0 0 0 0 0 -0.6695 20 16 1 3 0 0 0 1 0 3 1 10 577.79 0 0 0 0 6 20 665 1 0 0 3 2 0 2 0 0 1 2 0 0 1 0 0 0 0 0 8 0 0 13 5 2 0 13 2 0 5 0 0 12 0 0 0 0 4 4 0 0 12 4 4 0 0 5 7 0 1 0 0 0 6 4 0 2 0 0 -4.8206 25 12 1 10 2 0 1 1 0 8 0 12 568.949 1.998 1.998 0 1.998 -9 32 808 5 0 0 4 5 0 3 0 0 4 1 0 0 0 0 0 0 0 0 3 0 0 13 7 5 0 13 5 0 7 0 0 18 0 0 1 0 2 4 0 0 18 3 4 0 0 # -5.39 -10.18 58.85 Env_3eml_2 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0597 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 41 0 0 0 0 0 0 0 0 0 1 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 -0.0744 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 197 1 0 0 0 0 0 0 0 0 4 0 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 2 0 0 0 0 0 1 0 0 0 0 0 -0.9312 3 2 0 1 0 0 0 0 0 1 0 1 78.514 0 0 0 0 1 4 85 1 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 3 8 1 3 0 0 1 3 0 1 0 0 0 -2.3985 20 12 4 4 0 0 1 3.5 0.5 3 2 12 503.318 0 0 0 0.5 -4 18 712 3 0 0 0 0 0 0 0 2 1 4 0 1 0 0 3 0 0 3 3 0 0 12 0 8 0 12 6 2 0 0 0 20 0 0 0 0 0 0 0 0 20 0 0 0 0 3 11 2 3 0 0 1 1 0 0 0 0 0 -1.4052 21 16 4 1 0 0 0 3.5 0.5 1 3 10 590.724 0 0 0 0.5 3 22 778 0 0 0 0 0 0 0 0 5 0 8 0 1 0 0 2 0 0 2 3 0 0 12 0 9 0 12 4 5 0 0 0 21 0 0 0 0 0 0 0 0 21 0 0 0 0 3 8 8 2 0 0 0 4 2 1 0 0 0 -5.2389 28 19 2 7 0 0 1 2 0 5 9 10 668.655 0.999 0.999 0 0.999 4 62 976 0 0 0 0 1 0 3 0 1 0 8 0 4 0 0 1 0 3 7 0 0 0 12 3 13 0 15 9 1 3 0 0 28 0 0 0 0 0 0 0 0 28 0 0 0 0 # -13.78 -8.65 50.31 Env_3eml_3 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0142 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 8 0 0 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 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 0 0 0 0 -0.4087 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 75 0 0 4 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 5 0 1 5 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 1 0 0 1 0 0 0 3 0 0 0 0 0 -1.935 5 1 1 3 0 0 0 1 0 3 0 2 79.49 0 0 0 0 -4 8 58 0 0 3 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 4 0 1 3 1 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 3 8 0 3 0 0 0 2 0 1 1 0 0 -1.8996 18 11 3 3 1 0 1 3 0 2 0 10 477.687 0 0 0 0 -1 16 648 0 0 0 0 3 0 0 0 1 6 1 0 2 1 0 0 3 0 0 1 0 0 11 0 7 0 11 6 1 0 0 0 18 0 0 0 0 0 0 0 0 18 0 0 0 0 3 11 0 3 0 0 0 1 1 0 0 1 0 -1.7219 20 14 3 2 1 0 0.5 3 0 1.5 0 12 563.703 0.333 0.333 0 0.333 0 18 1096 0 0 0 0 2 0 1 0 2 3 1 0 2 6 0 0 3 0 0 0 0 0 12 1 7 0 12 5 2 1 0 0 20 0 0 0 0 0 0 0 0 20 0 0 0 0 4 17 5 3 0 0 2 5 1 0 1 0 0 -4.0825 38 26 5 6 1 0 0 4 1 5.5 7 15 980.813 0.666 0.666 0 1.666 7 53 1564 0 0 0 0 0 0 2 0 4 3 5 0 10 7 2 0 1 0 0 4 0 0 31 2 5 0 31 1 4 2 0 0 37 0 0 0 0 0 1 0 0 37 0 1 0 0 # -8.12 0.44 55.29 Env_3eml_4 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 28 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 -0.3225 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 165 0 0 0 0 0 0 0 0 1 0 4 0 0 0 1 0 0 0 0 0 0 0 5 0 1 0 5 0 1 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 -0.6337 3 2 0 1 0 0 0 0 0 1 0 1 78.514 0 0 0 0 1 5 100 0 0 0 0 0 0 0 0 0 0 2 0 0 0 1 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 3 9 0 3 0 0 0 2 0 0 0 0 0 -1.1022 17 12 3 2 0 0 0 3 0 2 0 10 467.519 0 0 0 0 2 12 533 1 0 0 0 0 0 0 0 3 5 3 0 0 0 3 0 0 2 0 0 0 0 12 0 5 0 14 0 3 0 0 0 17 0 0 0 0 0 0 0 0 17 0 0 0 0 4 10 2 4 0 0 1 4 0 0 0 0 0 -3.056 25 16 5 4 0 0 0 4.5 0.5 4 3 14 630.262 0 0 0 0.5 -5 23 675 3 0 5 0 1 0 0 0 4 7 2 0 0 0 2 0 0 1 0 0 0 0 14 0 11 0 15 6 4 0 0 0 25 0 0 0 0 0 0 0 0 25 0 0 0 0 1 11 5 2 0 0 1 4 0 1 1 0 0 -4.8895 26 17 3 5 1 0 1 2.5 0.5 4 6 9 661.348 0 0 0 0.5 5 46 850 1 0 1 0 1 0 0 0 2 7 3 0 3 0 0 2 0 6 0 0 0 0 14 0 12 0 20 4 2 0 0 0 26 0 0 0 0 0 0 0 0 26 0 0 0 0 # -11.42 -2.19 50.49 Env_3eml_5 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 21 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 -0.1705 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 222 0 0 0 0 0 0 0 0 0 0 1 0 4 0 0 0 0 0 1 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 1 0 0 0 0 0 2 0 0 1 0 0 -1.4077 4 1 0 2 1 0 0 0 0 2 0 2 83.019 0 0 0 0 0 5 222 0 0 0 0 0 0 0 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 4 0 0 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 3 8 0 3 0 0 0 2 0 0 0 0 0 -0.7111 16 11 3 2 0 0 0 3 0 2 0 11 434.009 0 0 0 0 0 9 1247 2 0 0 0 0 0 0 0 0 0 7 0 1 0 1 0 0 2 3 0 0 0 11 0 5 0 13 3 0 0 0 0 15 0 0 0 0 0 1 0 0 15 0 1 0 0 4 14 4 3 0 0 0 2 0 0 0 0 0 -2.6666 27 22 3 2 0 0 0 3 0 2 4 12 768.721 0 0 0 0 10 35 1776 5 0 0 0 0 0 0 0 0 6 8 0 0 0 1 0 0 2 5 0 0 0 20 0 7 0 22 5 0 0 0 0 23 0 0 0 0 0 4 0 0 23 0 4 0 0 1 13 5 2 0 0 1 2 0 0 0 0 0 -1.6449 24 19 3 2 0 0 0 2.5 0.5 2 7 7 642.329 0 0 0 0.5 8 42 1929 3 0 0 0 0 0 0 0 2 3 5 0 0 0 5 0 0 4 2 0 0 0 16 0 8 0 20 2 2 0 0 0 15 0 0 0 0 0 9 0 0 15 0 9 0 0 # -15.76 -5.78 55.79