# EXCLUDED_RESIDUES HETATM # PDBID_LIST 1j4h # POINT_FILE ./pocket_res_ptf/1j4h_SUB_A_201.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_1j4h_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 83 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 1 374 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 4 0 0 0 1 0 4 1 1 5 0 0 0 0 0 0 0 0 6 0 0 0 0 0 6 0 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 8 270 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 1 0 3 0 1 3 0 0 0 0 0 0 0 0 4 0 0 0 0 0 4 0 0 0 2 4 2 2 0 0 0 3 0 0 0 0 0 -2.0146 13 8 2 3 0 0 0 2 0 3 2 10 316.858 0 0 0 0 -2 9 340 3 0 0 0 0 0 0 7 0 0 0 0 0 0 1 0 0 0 2 0 0 0 4 0 2 7 4 9 0 0 0 1 0 0 0 0 8 0 4 0 0 1 8 4 0 0 4 8 0 3 0 0 0 1 0 0 0 0 0 -0.5258 16 12 3 1 0 0 0 3 0 1 1 10 443.094 0 0 0 0 0 14 943 2 0 0 0 0 0 0 0 2 2 1 0 0 0 3 0 4 0 2 0 0 0 8 0 8 0 8 6 2 0 0 4 0 0 3 1 6 0 2 0 0 4 10 2 0 0 7 18 1 5 0 0 1 7 0 2 0 0 0 -3.9112 41 26 6 9 0 0 2 5.5 0.5 7 2 25 1057.92 0 0 0 0.5 -3 36 2247 7 0 0 4 0 0 0 0 5 8 2 0 0 0 6 2 3 0 4 0 0 0 23 4 14 0 23 9 5 4 0 9 0 0 8 2 11 0 11 0 0 9 21 11 0 0 # -30.16 43.24 25.69 Env_1j4h_1 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0581 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 95 0 0 0 0 0 0 0 0 1 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 1 0 0 0 0 0 0 0 1 0 0 0 2 1 1 2 0 0 0 1 0 0 0 0 0 0.1356 7 4 2 1 0 0 0 2 0 1 1 5 160.877 0 0 0 0 -2 3 586 0 0 0 0 0 0 0 1 5 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 5 1 1 1 5 0 0 0 0 0 5 0 1 0 1 0 0 0 6 1 0 0 0 1 1 0 0 0 1 1 0 0 0 0 0 -1.3125 4 2 1 1 0 0 0 0.5 0.5 1 2 1 85.662 0 0 0 0.5 -2 7 301 0 0 0 0 0 0 0 1 2 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 2 1 1 1 2 0 0 0 0 0 2 0 1 0 1 0 0 0 3 1 0 0 2 7 3 2 0 0 1 2 0 0 0 0 0 -1.0792 17 12 3 2 0 0 0 2.5 0.5 2 4 9 447.052 0 0 0 0.5 1 18 1034 0 0 0 0 0 0 0 2 2 5 0 0 0 0 5 0 0 0 3 0 0 0 10 0 5 2 10 5 2 0 0 0 0 0 7 0 8 0 2 0 0 0 15 2 0 0 3 7 3 3 0 0 0 1 0 0 0 0 0 -1.7179 17 13 3 1 0 0 0 3 0 1 4 7 455.637 0 0 0 0 5 28 1247 0 0 0 0 0 0 0 1 0 8 0 0 0 0 1 0 3 0 4 0 0 0 9 0 7 1 9 8 0 0 0 0 0 0 3 0 13 0 1 0 0 0 16 1 0 0 3 7 0 3 0 0 0 4 0 1 0 0 0 -1.8886 18 10 3 5 0 0 1 3 0 4 0 14 440.644 0 0 0 0 -7 10 1490 0 0 0 0 0 0 0 3 0 2 0 0 0 0 5 0 3 0 5 0 0 0 7 0 8 3 7 11 0 0 0 0 0 0 0 0 14 0 4 0 0 0 14 4 0 0 # -28.33 37.37 26.81 Env_1j4h_2 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 0 0 1 0 0 0 0 1 0 0 0 2 2 0 2 0 0 0 1 0 0 0 0 0 -0.2861 7 4 2 1 0 0 0 2 0 1 0 5 173.808 0 0 0 0 -1 3 246 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 5 0 0 6 1 0 0 6 0 0 1 0 0 0 0 0 0 0 5 2 0 0 0 5 2 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.9011 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 2 123 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 1 1 0 0 2 5 0 1 0 0 0 2 0 0 0 0 0 -0.3344 10 7 1 2 0 0 0 1 0 2 0 7 271.695 0 0 0 0 0 4 678 0 0 0 0 0 2 3 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 5 3 2 0 5 2 0 3 0 0 0 0 0 0 0 0 10 0 0 0 0 10 0 0 1 7 6 2 0 0 0 0 1 0 0 0 0 -1.78 17 14 2 1 0 0 0 2 0 0.5 6 4 438.86 0.666 0.666 0 0.666 8 33 546 0 1 0 0 0 1 5 0 0 1 0 0 0 4 0 0 0 5 0 0 0 0 5 6 6 0 10 1 1 5 0 0 10 0 0 4 0 0 3 0 0 10 4 3 0 0 5 6 8 3 0 0 1 3 3 1 0 0 0 -4.2777 30 19 4 7 0 0 1 3 1 4.5 10 12 706.014 1.332 1.332 0 1.332 -2 68 1632 0 2 0 0 0 2 6 1 0 1 0 2 1 6 0 0 0 7 2 0 0 0 8 10 11 1 15 5 4 6 0 0 13 0 0 7 2 2 6 0 0 13 11 6 0 0 # -35.95 43.45 34.52 Env_1j4h_3 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 19 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 0 0 1 0 0 0 0 1 0 0 2 2 0 2 0 0 0 1 0 0 0 0 0 -0.327 7 4 2 1 0 0 0 2 0 1 0 5 173.808 0 0 0 0 -1 3 250 0 1 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 1 0 0 6 1 0 0 6 0 1 0 0 0 1 0 0 0 0 1 5 0 0 1 1 5 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.6109 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 2 45 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 1 0 0 1 7 0 3 0 0 0 1 0 0 0 0 0 -1.5239 12 8 3 1 0 0 0 3 0 1 0 7 321.985 0 0 0 0 1 8 570 0 3 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 2 1 4 0 0 5 3 3 1 7 2 3 0 0 1 6 0 0 0 0 4 1 0 0 7 4 1 0 0 6 8 3 2 0 0 0 2 0 1 0 0 0 -0.3503 22 17 2 3 0 0 1 2 0 2 4 12 598.249 0 0 0 0 2 28 889 5 2 0 0 0 0 4 2 0 0 0 0 0 0 0 0 0 4 4 1 0 0 6 6 8 2 10 6 2 4 0 1 11 0 0 0 8 1 1 0 0 12 9 1 0 0 2 9 7 2 0 0 1 4 2 0 0 0 0 -4.668 27 18 3 6 0 0 0 2 1 5 8 11 646.603 0.999 0.999 0 0.999 1 48 1646 0 1 0 0 0 4 7 1 0 2 0 0 0 0 0 0 0 5 7 0 0 0 2 8 16 1 7 12 1 7 0 2 11 0 0 2 5 0 7 0 0 13 7 7 0 0 # -34.98 45.09 31.22 Env_1j4h_4 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 97 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 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 -0.3241 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 560 0 0 0 0 0 1 4 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 4 1 0 1 1 0 4 0 0 0 0 0 0 0 1 5 0 0 0 1 5 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 2 243 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 1 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 3 5 0 1 0 0 0 2 2 0 0 0 0 -1.1883 13 8 1 4 0 0 0 1 0 3 0 7 320.548 0.999 0.999 0 0.999 -2 15 1115 0 0 0 0 0 3 3 0 0 0 0 2 0 0 0 0 0 0 0 5 0 0 5 5 3 0 5 3 2 3 0 0 0 0 0 0 0 7 6 0 0 0 7 6 0 0 0 5 0 2 0 0 0 1 1 0 0 0 0 -2.7341 9 5 2 2 0 0 0 2 0 1.5 0 4 221.455 0.333 0.333 0 0.333 0 10 639 0 0 0 0 0 0 1 0 0 1 0 4 1 1 0 0 0 0 0 1 0 0 4 5 0 0 4 0 4 1 0 0 1 0 0 2 0 5 1 0 0 1 7 1 0 0 6 7 4 2 0 0 0 1 1 0 0 0 0 1.0818 21 17 2 2 0 0 0 2 0 1.5 4 10 563.815 0.666 0.666 0 0.666 2 35 953 0 0 0 0 0 2 3 2 0 3 0 2 3 6 0 0 0 0 0 0 0 0 12 5 2 2 12 4 2 3 0 0 3 0 0 9 2 2 5 0 0 3 13 5 0 0 # -34.27 43.67 37.92