# EXCLUDED_RESIDUES HETATM # PDBID_LIST 1lru # POINT_FILE ./pocket_res_ptf/1lru_BB2_A_501.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_1lru_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 81 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 1 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 1 345 0 0 0 0 0 0 0 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 2 4 2 0 0 0 0 0 0 0 1 0 4 1 0 0 0 5 1 0 0 0 3 0 0 0 0 0 2 0 0 0 0 0 -1.579 5 3 0 2 0 0 0 0 0 2 0 2 123.518 0 0 0 0 1 7 260 0 0 0 1 0 0 0 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 3 1 0 1 3 1 0 1 0 0 0 0 0 1 0 3 1 0 0 0 4 1 0 0 2 4 0 2 0 0 0 1 0 0 1 0 0 -0.7419 10 6 2 1 1 0 0 2 0 1 0 7 267.349 0 0 0 0 0 9 61 0 0 0 2 0 0 0 5 0 0 0 0 3 0 0 0 0 0 0 0 0 0 3 2 0 5 3 5 0 2 0 0 3 0 0 5 0 0 2 0 0 3 5 2 0 0 2 7 0 2 0 0 0 2 1 0 0 1 0 -2.7224 15 9 2 3 1 0 0.5 2 0 2.5 0 9 393.51 0.333 0.333 0 0.333 -2 12 558 0 0 0 2 1 0 3 0 0 3 1 0 2 0 0 0 0 0 0 3 0 0 9 5 1 0 9 1 0 5 0 0 4 0 0 6 2 0 3 0 0 4 8 3 0 0 5 11 2 4 0 0 0 3 1 0 0 0 0 -2.3228 26 18 4 4 0 0 0 4 0 3.5 2 13 668.507 0.999 0.999 0 0.999 1 29 863 0 0 0 2 1 0 3 0 0 4 4 0 2 0 0 1 0 0 3 6 0 0 16 5 5 0 16 5 0 5 0 0 8 0 0 10 3 0 5 0 0 8 13 5 0 0 # -33.4 27.16 71.8 Env_1lru_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 12 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 0 0 1 0 0 0 0 1 0 0 2 0 0 2 0 0 0 1 0 0 0 0 0 -0.2654 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 284 0 0 0 0 0 0 1 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 3 1 3 0 1 0 0 0 0 0 0 1 1 3 0 0 0 2 3 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 0 167 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1 0 0 1 0 0 0 1 0 0 0 0 1 1 0 0 0 3 9 0 2 0 0 0 2 0 0 0 0 0 -0.7196 16 12 2 2 0 0 0 2 0 2 0 9 453.382 0 0 0 0 3 15 1141 0 0 0 0 0 0 5 2 0 4 3 0 2 0 0 0 0 0 0 0 0 0 9 5 0 2 9 2 0 5 0 0 2 0 0 2 8 4 0 0 0 2 14 0 0 0 1 9 0 2 0 0 0 2 0 0 1 0 0 -2.0812 15 10 2 2 1 0 0 2 0 2 0 9 412.883 0 0 0 0 2 13 630 0 0 0 0 0 0 3 2 0 3 0 0 4 0 0 0 0 0 3 0 0 0 7 3 3 2 7 5 0 3 0 0 7 0 0 2 3 3 0 0 0 7 8 0 0 0 3 8 1 4 0 0 0 2 1 0 0 0 0 -2.7538 19 12 4 3 0 0 0 4 0 2.5 1 11 488.804 0.333 0.333 0 0.333 0 17 579 2 0 0 1 0 0 3 0 0 0 7 0 1 0 0 0 2 0 3 0 0 0 10 4 5 0 10 5 0 4 0 0 9 0 0 5 5 0 0 0 0 9 10 0 0 0 # -34.72 30.37 70.27 Env_1lru_2 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 14 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 1 0 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.3848 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 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 0 1 0 1 0 5 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 -1.1614 4 2 0 2 0 0 0 0 0 2 0 3 90.008 0 0 0 0 -1 2 206 1 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 1 1 1 0 2 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 4 2 0 2 0 0 0 2 2 0 0 0 0 -1.0124 12 6 2 4 0 0 0 2 0 3 0 8 267.665 0.999 0.999 0 0.999 -5 12 700 2 0 0 0 0 0 6 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 4 6 0 2 4 2 0 6 0 0 0 0 0 10 0 0 2 0 0 0 10 2 0 0 1 12 7 3 1 0 1 1 0 0 0 0 0 -3.2157 26 20 5 1 0 0 0 3.5 1.5 1 8 9 703.956 0 0 0 0.5 7 48 1910 1 6 0 0 1 1 1 0 2 4 2 0 0 6 0 0 0 0 0 2 0 0 15 7 4 0 15 2 8 1 0 6 2 0 0 10 0 0 8 0 0 8 10 8 0 0 3 10 2 2 2 0 1 2 1 0 0 0 0 -2.9273 23 15 5 3 0 0 0 3.5 1.5 2.5 2 8 598.693 1.665 0.666 0.999 2.165 -1 41 1638 1 5 0 0 2 1 2 0 2 3 3 0 0 1 0 0 0 0 0 3 0 0 11 7 5 0 11 3 7 2 0 1 3 0 1 10 0 0 8 0 0 4 11 8 0 0 # -39.27 22.9 63.55 Env_1lru_3 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 21 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 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 -0.3128 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 1 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 0 0 1 4 1 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 2 0 1 0 1 2 0 0 0 0 0 -2.5754 6 2 2 2 0 0 0 1 1 2 3 2 108.654 0.333 0 0.333 0.833 -4 14 113 0 1 0 0 1 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 0 0 2 4 0 0 0 5 0 1 0 0 0 0 0 0 5 1 0 0 0 5 5 2 3 1 0 1 2 1 0 0 0 0 -0.2696 20 12 5 3 0 0 0 4 1 2.5 2 11 493.813 1.332 0.666 0.666 1.832 -5 27 317 0 2 0 4 1 3 3 0 2 4 0 0 1 0 0 0 0 0 0 0 0 0 5 9 6 0 5 4 4 7 0 0 18 0 2 0 0 0 0 0 0 18 2 0 0 0 4 9 1 3 1 0 0 1 5 0 0 0 0 -3.9624 24 14 4 6 0 0 0 3 1 3.5 1 11 581.458 2.331 2.331 0 2.331 -7 40 313 0 2 0 3 2 1 8 0 2 3 0 0 3 0 0 0 0 0 0 0 0 0 6 13 5 0 6 3 4 11 0 0 19 0 2 3 0 0 0 0 0 19 5 0 0 0 3 12 3 3 0 0 2 5 0 1 0 1 0 -4.9249 30 18 5 6 1 0 1.5 4 1 5 5 10 751.907 0 0 0 1 -2 51 521 2 1 0 1 2 3 1 0 6 5 1 1 2 3 0 0 0 0 2 0 0 0 13 4 13 0 13 7 8 2 0 5 21 0 1 1 0 0 2 0 0 26 2 2 0 0 # -30.32 21.79 62.63 Env_1lru_4 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 9 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 1 0 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 0 108 0 0 0 0 0 0 0 3 0 1 1 0 0 0 0 0 0 0 0 0 0 0 2 0 0 3 2 3 0 0 0 0 0 0 0 4 0 1 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 2 1 0 1 0 0 -2.2281 4 0 0 3 1 0 0 0 0 2.5 0 2 63.646 0.333 0.333 0 0.333 -2 7 87 0 0 0 0 0 0 1 0 0 1 0 0 1 0 0 0 0 0 0 1 0 0 3 1 0 0 3 0 0 1 0 0 2 0 0 1 0 1 0 0 0 2 2 0 0 0 4 11 0 3 0 0 0 0 1 0 0 1 0 -0.3033 20 15 3 1 1 0 0.5 3 0 0.5 0 9 572.788 0.666 0.666 0 0.666 3 24 377 0 0 0 1 1 0 3 1 0 8 3 0 2 0 0 0 0 0 0 1 0 0 14 4 1 1 14 2 0 4 0 0 6 0 0 9 0 4 1 0 0 6 13 1 0 0 2 14 0 2 0 0 0 4 0 0 0 0 0 -2.9195 22 16 2 4 0 0 0 2 0 4 0 11 610.41 0 0 0 0 4 20 144 1 0 0 3 1 0 1 2 0 6 3 0 1 0 0 0 0 0 0 4 0 0 15 4 1 2 15 3 0 4 0 0 3 0 0 16 0 1 2 0 0 3 17 2 0 0 3 11 3 3 0 0 1 3 0 0 0 0 0 -3.1941 24 17 4 3 0 0 0 3.5 0.5 3 4 13 646.175 0 0 0 0.5 1 31 353 1 0 0 1 3 1 2 1 2 4 2 0 3 2 0 0 0 0 0 2 0 0 14 3 6 1 14 5 2 3 0 1 12 0 0 6 1 1 3 0 0 13 8 3 0 0 # -30.27 27.12 69.6 Env_1lru_5 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0212 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 11 0 0 0 0 1 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 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 -0.3277 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -3 1 117 0 0 0 0 4 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 4 1 1 5 0 0 0 0 0 0 0 1 1 0 4 0 0 0 2 4 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 -0.8797 2 0 0 1 1 0 0.5 0 0 1 0 1 38.015 0 0 0 0 -2 2 46 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 2 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 4 3 3 0 0 1 0 0 0 0 0 0 -1.1184 12 8 4 0 0 0 0 3.5 0.5 0 4 6 310.103 0 0 0 0.5 0 17 234 0 0 0 0 0 0 0 2 2 2 3 0 0 2 0 1 0 0 0 0 0 0 7 0 3 2 7 3 2 0 0 2 2 0 0 2 4 2 0 0 0 4 8 0 0 0 3 8 3 2 0 0 2 5 0 1 0 0 0 -4.479 24 14 4 6 0 0 1 3 1 5 5 11 590.14 0 0 0 1 -3 36 301 0 0 0 0 0 2 2 0 3 6 3 0 0 2 2 4 0 0 0 0 0 0 13 2 9 0 13 6 3 2 0 3 3 0 0 2 9 6 1 0 0 6 17 1 0 0 3 11 5 3 0 0 0 2 1 0 0 0 0 -2.1764 25 19 3 3 0 0 0 3 0 2.5 5 11 662.408 0.333 0.333 0 0.333 1 36 1086 0 2 0 0 0 6 5 0 3 0 1 0 0 4 3 1 0 0 0 0 0 0 8 7 10 0 8 7 5 5 0 6 3 0 0 5 7 0 4 0 0 9 12 4 0 0 # -36.17 28.7 62.38 Env_1lru_6 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 35 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 1 0 0 0 0 0 0 1 0 0 0 2 0 0 2 0 0 0 1 0 0 0 0 0 -0.2654 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 130 0 0 0 0 1 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 0 4 0 1 0 0 0 0 0 4 0 0 1 0 0 0 4 1 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 -1.1101 3 1 0 2 0 0 0 0 0 2 0 3 56.498 0 0 0 0 -2 0 72 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 1 0 2 0 0 0 0 0 2 0 0 1 0 0 0 2 1 0 0 2 7 3 2 1 0 0 1 0 0 0 0 0 -1.3927 16 12 3 1 0 0 0 2 1 1 3 7 441.5 0 0 0 0 2 24 1280 0 6 0 0 4 1 2 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 3 8 5 0 3 5 6 2 0 3 0 0 0 8 0 0 5 0 0 3 8 5 0 0 2 2 5 3 0 0 0 3 0 0 0 0 0 -0.9965 15 9 3 3 0 0 0 3 0 3 4 9 331.654 0.333 0 0.333 0.333 -2 20 871 2 2 0 0 0 2 3 0 1 1 1 0 0 3 0 0 0 0 0 0 0 0 7 5 3 0 7 2 3 3 0 3 1 0 0 7 1 1 2 0 0 4 9 2 0 0 5 13 0 2 2 0 2 3 1 0 0 1 0 -3.6919 29 18 6 4 1 0 0.5 4 2 3.5 2 14 777.237 1.332 0.666 0.666 2.332 -3 40 1758 3 3 0 0 1 1 8 0 2 7 1 0 0 1 2 0 0 0 0 0 0 0 14 11 4 0 14 2 5 8 0 1 2 0 0 10 7 7 2 0 0 3 24 2 0 0 # -39.22 26.62 63.22