# EXCLUDED_RESIDUES HETATM # PDBID_LIST 1syn # POINT_FILE ./pocket_res_ptf/1syn_F89_A_301.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_1syn_0 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 24 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 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 -0.0744 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 188 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 1 1 0 0 0 0 4 0 2 0 5 1 0 0 0 0 0 0 0 0 5 0 1 0 0 0 5 1 0 0 0 3 0 0 0 0 0 1 0 0 0 0 0 -0.9971 4 3 0 1 0 0 0 0 0 1 0 1 112.024 0 0 0 0 2 7 161 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 1 0 0 0 0 0 3 0 1 0 3 1 0 0 0 0 0 0 0 0 3 0 1 0 0 0 3 1 0 0 1 4 0 2 0 0 0 0 0 1 0 0 0 -0.7166 8 5 2 1 0 0 1 2 0 0 0 5 212.981 0 0 0 0 -2 4 416 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 4 3 0 0 0 0 0 1 7 0 3 4 0 1 0 1 0 0 0 0 3 0 4 0 0 1 3 4 0 0 2 4 4 1 0 0 1 2 2 0 0 0 0 -2.7983 16 10 2 4 0 0 0 1 1 3 5 5 362.365 0.999 0.999 0 0.999 -1 29 532 0 0 0 5 0 0 1 0 0 0 0 0 0 0 0 0 1 6 0 3 0 0 3 6 7 0 9 1 0 6 0 6 0 0 0 0 6 0 4 0 0 6 6 4 0 0 1 8 4 0 0 0 1 0 1 0 0 0 0 -2.2138 15 13 1 1 0 0 0 0 1 0.5 5 3 442.39 0.333 0.333 0 0.333 7 36 797 0 0 0 1 0 0 4 0 0 0 1 0 0 0 0 0 0 5 0 4 0 0 5 5 5 0 10 0 0 5 0 6 2 0 0 0 3 0 4 0 0 8 3 4 0 0 # 13.15 10.34 31.58 Env_1syn_1 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 1 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 33 0 0 0 0 0 0 0 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 3 2 3 0 0 0 0 1 0 0 0 4 0 0 0 0 1 4 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 -1.1498 2 0 0 2 0 0 0 0 0 2 0 2 22.988 0 0 0 0 -2 0 38 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1 0 0 0 0 0 1 1 0 0 0 0 0 2 0 0 0 4 6 1 3 0 0 0 1 0 0 0 0 0 0.0029 15 11 3 1 0 0 0 3 0 1 1 6 399.956 0.333 0.333 0 0.333 0 17 156 0 0 3 3 0 0 0 0 0 0 6 0 0 1 2 0 0 0 0 0 0 0 9 3 3 0 9 3 0 3 0 0 9 0 0 3 3 0 0 0 0 9 6 0 0 0 4 10 2 6 0 0 0 3 2 0 0 1 0 -4.4522 28 16 6 5 1 0 0.5 6 0 4 2 17 700.631 0.666 0.666 0 0.666 -5 25 195 0 0 3 4 1 1 0 0 0 0 2 0 0 9 4 0 0 0 0 4 0 0 19 4 5 0 19 5 0 4 0 0 14 0 0 6 8 0 0 0 0 14 14 0 0 0 3 9 2 0 0 1 0 4 0 1 0 0 0 -3.0388 20 14 1 5 0 0 1 0 1 4 2 7 538.874 1 0 1 1 4 42 136 0 0 1 0 4 2 0 0 0 0 5 1 0 5 1 0 0 0 1 0 0 0 11 1 8 0 11 8 1 0 0 0 9 0 0 6 5 0 0 0 0 9 11 0 0 0 # 17.48 18.31 36.32 Env_1syn_2 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 30 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 1 0 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 1 121 0 0 0 0 0 0 0 1 0 0 4 0 0 1 0 0 0 0 0 0 0 0 5 0 0 1 5 1 0 0 0 0 0 0 0 0 6 0 0 0 0 0 6 0 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 60 0 0 0 0 0 0 0 0 0 0 2 0 0 1 0 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 3 5 2 2 0 1 0 2 2 0 0 0 0 -2.5437 17 10 3 4 0 0 0 2 1 3 2 8 415.295 1.999 0.999 1 1.999 -1 23 76 0 0 0 4 0 0 0 2 0 0 2 1 0 5 1 0 0 0 0 2 0 0 10 5 0 2 10 2 1 4 0 0 2 0 0 4 11 0 0 0 0 2 15 0 0 0 1 7 5 2 0 0 2 1 0 1 0 0 0 -2.6443 19 13 4 2 0 0 1 3 1 1 7 7 492.326 0 0 0 1 0 39 77 0 0 0 3 0 0 0 1 3 0 1 1 0 4 3 0 0 0 1 2 0 0 10 4 4 1 10 2 4 3 0 3 7 0 0 3 6 0 0 0 0 10 9 0 0 0 3 7 7 2 0 0 0 2 0 0 0 0 0 -1.6276 21 17 2 2 0 0 0 2 0 2 8 7 547.194 0 0 0 0 7 39 270 2 0 0 1 0 0 0 0 2 0 2 1 0 6 3 0 0 0 2 2 0 0 15 2 4 0 15 2 3 1 0 2 10 0 0 1 4 0 4 0 0 12 5 4 0 0 # 14.48 18.53 38.67 Env_1syn_3 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 69 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 2 0 2 0 0 0 1 0 0 0 0 0 -0.233 7 4 2 1 0 0 0 2 0 1 0 5 173.808 0 0 0 0 -1 3 415 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 5 0 0 7 0 0 0 7 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0 0 7 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.894 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 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 1 5 0 1 0 0 0 2 0 0 0 0 0 -1.3876 9 6 1 2 0 0 0 1 0 2 0 6 238.185 0 0 0 0 0 5 269 5 0 0 0 0 0 0 0 0 0 1 0 0 0 3 0 0 0 0 0 0 0 9 0 0 0 9 0 0 0 0 0 0 0 0 0 1 0 8 0 0 0 1 8 0 0 1 6 1 1 0 0 1 0 1 0 0 0 0 -1.1434 11 8 2 1 0 0 0 1.5 0.5 0.5 2 3 309.944 0.333 0.333 0 0.833 1 20 466 1 0 0 1 0 0 0 0 2 2 3 0 0 0 2 0 0 0 0 0 0 0 8 1 2 0 8 0 2 1 0 2 0 0 0 1 3 0 5 0 0 2 4 5 0 0 4 6 5 1 0 0 1 1 2 1 0 0 0 -2.7025 21 15 2 4 0 0 1 1.5 0.5 1.5 7 3 512.519 0.666 0.666 0 1.166 2 46 898 2 0 3 2 0 0 0 0 3 6 0 0 0 0 0 0 1 0 4 0 0 0 8 2 11 0 8 8 3 2 0 6 0 0 0 6 1 1 7 0 0 6 8 7 0 0 # 8.38 17.67 34.15 Env_1syn_4 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 17 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 -0.2465 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 77 0 0 1 0 0 0 0 0 0 0 0 0 0 4 1 0 0 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 0 3 0 0 0 0 2 0 0 0 0 0 -1.3819 5 3 0 2 0 0 0 0 0 2 3 2 96.609 0 0 0 0 1 8 54 0 0 0 0 0 0 0 1 0 0 0 0 0 3 1 0 0 0 0 0 0 0 4 0 0 1 4 1 0 0 0 0 4 0 0 0 1 0 0 0 0 4 1 0 0 0 3 7 2 3 0 0 0 1 0 0 0 0 0 -0.7175 16 12 3 1 0 0 0 3 0 1 2 9 442.047 0 0 0 0 3 16 66 2 0 3 0 0 0 0 1 0 3 2 0 0 2 3 0 0 0 0 0 0 0 12 0 3 1 12 4 0 0 0 0 15 0 0 0 1 0 0 0 0 15 1 0 0 0 3 13 1 3 0 0 0 3 0 0 0 0 0 -2.2618 23 17 3 3 0 0 0 3 0 3 1 12 636.935 0 0 0 0 0 25 92 2 0 4 0 0 0 0 1 0 6 4 0 0 1 2 3 0 0 0 0 0 0 15 0 7 1 15 8 0 0 0 0 20 0 0 0 2 0 1 0 0 20 2 1 0 0 4 6 0 3 0 0 0 3 1 2 0 1 0 -3.4835 20 10 3 6 1 0 2.5 3 0 3.5 0 10 486.965 0.333 0.333 0 0.333 -5 20 73 1 0 0 0 2 0 1 1 0 6 4 0 0 0 0 4 0 0 1 0 0 0 11 1 7 1 11 8 0 1 0 0 16 0 0 0 2 0 2 0 0 16 2 2 0 0 # 21.2 14.56 38.49