# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3d4q # POINT_FILE ./pocket_res_ptf/3d4q_SM5_A_1.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_3d4q_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 85 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 1 0 0 0 0 0 0 1 0 0 0 2 2 0 2 0 0 0 1 0 0 0 0 0 0.0194 7 4 2 1 0 0 0 2 0 1 0 5 173.808 0 0 0 0 -1 3 574 0 1 0 0 0 0 0 1 0 5 0 0 0 0 0 0 0 0 0 0 0 0 5 1 0 1 5 1 1 0 0 0 0 0 0 7 0 0 0 0 0 0 7 0 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 -0.9755 3 2 0 1 0 0 0 0 0 1 0 1 78.514 0 0 0 0 1 5 303 0 1 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 2 0 1 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 3 4 0 2 0 0 0 2 0 0 0 0 0 -0.8832 11 7 2 2 0 0 0 2 0 2 0 8 296.124 0 0 0 0 -2 7 1012 0 4 0 0 0 3 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 2 4 3 2 2 5 4 0 0 0 0 0 0 11 0 0 0 0 0 0 11 0 0 0 2 8 1 4 1 0 0 1 0 0 0 0 0 -1.0572 17 11 5 1 0 0 0 4.5 0.5 1 0 9 435.219 0.666 0 0.666 0.666 -2 23 1371 0 3 0 0 0 4 0 1 0 0 0 1 0 0 0 1 0 0 3 4 0 0 4 4 8 1 4 9 4 0 0 0 0 0 0 17 0 0 0 0 0 0 17 0 0 0 1 6 6 1 2 0 0 2 0 0 0 0 0 -4.1657 18 13 3 2 0 0 0 1.5 1.5 2 6 5 469.887 0.333 0 0.333 0.333 5 43 1280 0 2 0 0 0 2 0 0 0 0 0 2 0 0 0 1 2 2 6 1 0 0 1 4 13 0 3 11 4 0 0 0 0 0 0 16 0 0 2 0 0 0 16 2 0 0 # 88.06 6.38 -13.49 Env_3d4q_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 57 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 1 0 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.2389 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 229 0 0 0 0 0 0 0 0 0 1 1 0 0 4 0 0 0 0 0 0 0 0 6 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 0 2 3 0 0 0 0 3 0 0 0 0 0 -2.0758 8 5 0 3 0 0 0 0 0 3 3 5 175.123 0 0 0 0 0 8 220 0 0 0 0 0 0 0 0 0 2 1 1 0 3 0 1 0 0 0 0 0 0 6 1 1 0 6 1 1 0 0 0 0 0 0 7 0 0 1 0 0 0 7 1 0 0 4 4 2 5 0 0 0 0 0 0 0 0 0 -0.1504 15 10 5 0 0 0 0 5 0 0 2 10 391.807 0 0 0 0 0 12 234 0 0 0 0 0 0 0 0 1 3 3 2 0 2 0 4 0 0 0 0 0 0 8 2 5 0 8 4 3 0 0 0 1 0 3 10 0 0 1 0 0 1 13 1 0 0 2 16 1 2 0 0 0 6 0 0 0 1 0 -4.404 28 19 2 6 1 0 0.5 2 0 6 1 17 753.46 0 0 0 0 -1 22 345 0 0 4 0 2 0 0 0 1 3 5 3 0 1 0 5 1 0 0 3 0 0 12 3 13 0 12 12 4 0 0 5 2 0 2 15 0 0 4 0 0 7 17 4 0 0 8 15 1 4 0 0 0 4 0 2 0 0 0 -1.4164 34 24 4 6 0 0 2 4 0 4 1 20 934.089 0 0 0 0 0 28 559 0 0 4 0 3 0 0 5 3 3 5 1 0 0 0 4 1 0 1 4 0 0 12 1 16 5 12 18 4 0 0 5 4 0 1 12 0 3 9 0 0 9 16 9 0 0 # 83.63 13.34 -2.36 Env_3d4q_2 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0249 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 98 0 0 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 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 1 0 0 0 -0.6476 7 3 2 2 0 0 1 2 0 1 0 5 157.455 0 0 0 0 -4 3 523 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 5 2 0 7 0 0 0 0 0 0 0 7 0 0 0 0 0 0 7 0 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 -1.161 3 1 0 2 0 0 0 0 0 2 0 3 56.498 0 0 0 0 -2 0 55 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 3 0 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 3 4 0 2 0 0 0 1 0 0 0 0 0 0.3078 10 7 2 1 0 0 0 2 0 1 0 8 274.338 0 0 0 0 -1 3 244 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 2 0 0 3 0 0 3 0 2 5 3 7 0 0 0 0 0 0 0 10 0 0 0 0 0 0 10 0 0 0 1 4 1 3 2 0 0 2 0 1 0 0 0 -3.3701 14 6 5 3 0 0 1 4 1 2 0 8 319.543 0.999 0 0.999 0.999 -7 22 793 0 3 0 0 0 0 0 2 0 1 0 0 0 0 0 1 5 0 0 2 0 0 3 3 6 2 3 8 3 0 0 0 0 0 0 13 1 0 0 0 0 0 14 0 0 0 3 7 0 2 1 0 0 2 1 0 0 0 0 -1.9433 16 10 3 3 0 0 0 2 1 2.5 0 9 421.078 0.333 0.333 0 0.333 -1 18 922 0 2 0 1 0 0 0 0 0 4 0 2 0 2 0 3 0 0 0 2 0 0 8 5 3 0 8 3 4 1 0 0 0 0 0 10 5 0 1 0 0 0 15 1 0 0 # 87.15 1.23 -8.34 Env_3d4q_3 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0337 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 16 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 0 1 0 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 -0.3872 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 65 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 6 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 -1.1358 2 0 0 2 0 0 0 0 0 2 0 2 22.988 0 0 0 0 -2 0 55 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 1 0 1 1 0 0 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 4 8 2 3 0 0 0 3 0 1 0 0 0 -2.1572 21 14 3 4 0 0 1 3 0 3 2 14 549.212 0 0 0 0 -1 17 328 0 0 0 0 0 2 0 1 0 0 0 1 0 0 0 0 4 3 1 9 0 0 9 1 10 1 12 8 1 0 0 0 0 0 0 18 0 0 3 0 0 0 18 3 0 0 4 15 3 5 0 0 0 2 0 0 0 0 0 -2.1164 29 22 5 2 0 0 0 5 0 2 3 16 798.042 0 0 0 0 5 29 899 0 0 0 1 0 2 0 2 0 2 0 5 0 0 0 0 3 6 2 6 0 0 8 6 13 2 14 9 5 1 0 0 0 0 0 23 0 0 6 0 0 0 23 6 0 0 3 15 3 3 0 0 1 5 0 0 0 0 0 -4.1939 30 21 4 5 0 0 0 3 1 5 4 14 797.261 0 0 0 0 4 37 1040 0 0 0 3 1 1 0 1 0 2 2 5 0 0 0 0 0 5 1 9 0 0 13 8 8 1 18 4 5 3 0 0 0 0 0 22 0 0 8 0 0 0 22 8 0 0 # 79.09 8.41 -12.06 Env_3d4q_4 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 26 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 1 0 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 0.0938 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 198 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 4 0 0 4 0 2 0 4 2 0 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 0 2 0 0 0 0 0 3 0 0 0 0 0 -2.3421 5 2 0 3 0 0 0 0 0 3 0 3 101.502 0 0 0 0 -1 4 108 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 3 0 0 3 0 1 1 3 2 0 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 3 9 3 3 0 0 0 1 0 0 0 0 0 -0.5882 19 15 3 1 0 0 0 3 0 1 3 10 529.646 0 0 0 0 4 18 731 0 0 0 0 0 0 0 2 0 1 0 4 0 0 0 0 4 0 7 1 0 0 2 4 11 2 2 13 4 0 0 0 0 0 0 19 0 0 0 0 0 0 19 0 0 0 6 10 2 6 0 0 0 3 0 1 0 0 0 -1.7548 28 18 6 4 0 0 1 6 0 3 3 19 712.732 0 0 0 0 -3 24 1741 0 3 0 0 0 1 0 4 0 5 0 3 1 0 0 4 1 0 3 3 0 0 9 6 9 4 9 13 6 0 0 0 0 0 0 28 0 0 0 0 0 0 28 0 0 0 4 15 1 1 3 0 0 6 0 2 0 0 0 -5.2091 32 20 4 8 0 0 2 2 2 6 0 16 844.121 0.999 0 0.999 0.999 -6 48 1913 4 8 0 0 0 1 0 4 0 2 0 3 5 0 0 2 0 0 1 2 0 0 13 11 4 4 13 8 11 0 0 0 0 0 0 32 0 0 0 0 0 0 32 0 0 0 # 83.57 3.24 -11.69