# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3lq8 # POINT_FILE ./pocket_res_ptf/3lq8_88Z_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_3lq8_0 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 18 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 0 0 1 0 0 0 0 1 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 1 126 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 1 0 0 0 1 0 0 5 0 1 0 5 1 0 0 0 0 0 0 1 0 0 0 5 0 0 0 1 5 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 -1.1947 4 2 0 2 0 0 0 0 0 2 0 2 90.008 0 0 0 0 0 5 43 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 4 0 0 0 4 0 0 0 0 0 0 0 1 1 0 0 2 0 0 0 2 2 0 0 3 12 0 1 0 0 0 1 0 0 0 0 0 0.0972 17 15 1 1 0 0 0 1 0 1 0 8 528.281 0 0 0 0 6 18 464 1 0 0 0 0 0 0 0 0 0 1 5 1 0 0 4 0 0 0 5 0 0 8 5 4 0 8 4 5 0 0 1 0 0 4 6 0 0 6 0 0 1 10 6 0 0 1 7 0 4 0 0 0 3 0 1 0 0 0 -3.7798 16 8 4 4 0 0 1 4 0 3 0 10 376.267 0 0 0 0 -6 15 382 2 0 2 0 0 0 0 0 1 0 1 3 1 0 2 1 0 0 0 3 0 0 9 3 4 0 9 3 4 0 0 0 0 0 1 7 2 0 6 0 0 0 10 6 0 0 5 14 3 5 0 1 0 5 0 0 2 0 0 -3.3043 35 22 6 5 2 0 0 5 1 5 3 17 925.018 1 0 1 1 8 39 1011 1 0 2 1 0 0 0 0 2 0 4 1 9 6 5 0 0 0 0 4 0 0 29 2 4 0 29 2 3 1 0 4 0 0 0 14 4 0 13 0 0 4 18 13 0 0 # 4.35 9.28 24.14 Env_3lq8_1 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 13 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 52 4 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 5 0 1 0 5 1 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 17 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 3 9 1 3 0 0 0 1 0 0 0 1 0 -1.2887 18 13 3 1 1 0 0.5 3 0 1 1 10 509.067 0 0 0 0 1 15 311 0 0 0 0 4 0 0 1 1 1 4 0 0 0 0 0 0 0 2 5 0 0 10 0 7 1 10 7 1 0 0 0 0 0 0 17 0 0 1 0 0 0 17 1 0 0 6 13 3 5 0 0 1 6 0 0 0 0 0 -3.0737 34 22 6 6 0 0 0 5.5 0.5 6 4 23 870.539 0 0 0 0.5 -3 26 1213 0 0 0 0 0 0 0 3 7 1 3 1 0 0 4 0 0 0 7 8 0 0 16 1 14 3 16 10 8 0 0 0 0 0 0 29 0 0 5 0 0 0 29 5 0 0 3 14 6 3 0 0 2 2 0 0 0 0 0 -3.4147 30 23 5 2 0 0 0 4 1 2 9 10 797.654 0 0 0 1 4 47 1199 0 0 0 0 0 0 0 0 9 2 2 2 1 0 1 0 1 0 4 8 0 0 14 2 14 0 14 5 11 0 0 0 0 0 0 25 0 0 5 0 0 0 25 5 0 0 # -0.87 8.74 34.62 Env_3lq8_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 20 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 1 0 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.154 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 113 0 0 0 0 0 0 0 0 0 0 4 0 0 0 1 0 0 0 0 1 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 4 0 0 0 0 0 1 0 0 0 0 0 -1.0196 5 4 0 1 0 0 0 0 0 1 0 1 145.534 0 0 0 0 2 9 93 0 0 0 0 0 0 0 0 0 0 3 0 0 0 1 0 0 0 0 1 0 0 5 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 2 9 0 3 0 0 0 3 0 0 0 0 0 -2.0625 17 11 3 3 0 0 0 3 0 3 0 10 445.503 0 0 0 0 1 12 517 3 0 0 0 0 0 0 0 0 0 4 0 0 0 5 1 0 0 0 4 0 0 16 0 1 0 16 1 0 0 0 0 0 0 0 12 0 0 5 0 0 0 12 5 0 0 5 14 0 4 0 0 0 1 0 0 0 0 0 -1.642 24 19 4 1 0 0 0 4 0 1 0 14 704.732 0 0 0 0 4 21 554 2 0 0 0 3 0 0 1 0 0 11 0 0 0 0 1 0 0 1 5 0 0 18 0 5 1 18 6 0 0 0 0 0 0 0 11 0 0 13 0 0 0 11 13 0 0 4 15 0 3 0 0 0 5 0 1 1 1 0 -2.7919 30 19 3 6 2 0 1.5 3 0 5 0 17 806.77 0 0 0 0 0 26 827 0 0 0 0 3 0 0 3 1 0 5 2 4 0 0 4 0 0 3 5 0 0 14 2 11 3 14 13 3 0 0 2 0 0 0 14 0 0 14 0 0 2 14 14 0 0 # 2.93 10.59 31.7 Env_3lq8_3 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 17 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 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 -0.1028 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 274 0 0 0 0 0 0 0 0 0 0 0 1 4 0 0 0 0 0 1 0 0 0 4 1 1 0 4 1 1 0 0 0 0 0 0 0 1 0 5 0 0 0 1 5 0 0 0 1 0 0 0 0 0 1 0 0 1 0 0 -0.8398 3 1 0 1 1 0 0 0 0 1 0 1 71.525 0 0 0 0 1 5 114 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 1 0 0 0 2 0 1 0 2 1 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 3 0 0 2 7 3 4 0 0 0 2 0 0 0 0 0 -2.268 18 12 4 2 0 0 0 4 0 2 3 11 454.747 0 0 0 0 1 15 1023 0 0 0 3 0 0 0 1 1 0 2 3 1 0 1 0 0 0 6 0 0 0 4 6 7 1 4 7 4 3 0 0 0 0 0 3 4 0 11 0 0 0 7 11 0 0 7 6 2 2 0 0 0 3 0 0 0 0 0 0.7479 20 15 2 3 0 0 0 2 0 3 3 13 525.566 0.333 0.333 0 0.333 0 22 837 0 0 0 3 0 0 1 3 2 0 2 1 4 0 1 0 0 0 3 0 0 0 7 5 5 3 7 6 3 4 0 0 0 0 0 7 4 0 9 0 0 0 11 9 0 0 0 13 2 2 0 0 0 3 2 1 1 0 0 -5.6082 24 15 2 6 1 0 1 2 0 4 2 8 617.438 0.666 0.666 0 0.666 3 37 1133 1 0 0 3 0 0 2 0 4 0 2 3 3 0 4 0 1 0 1 0 0 0 10 8 6 0 10 2 7 5 0 0 0 0 1 10 8 0 5 0 0 0 19 5 0 0 # -4.44 8.86 27.47 Env_3lq8_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 52 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 0 0 0 1 0 0 0 0 1 0 0 2 1 0 1 0 0 0 1 0 0 0 0 0 0.116 5 3 1 1 0 0 0 1 0 1 0 4 126.161 0 0 0 0 -1 1 284 0 0 0 1 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 4 1 0 0 4 0 0 1 0 0 0 0 0 0 0 0 5 0 0 0 0 5 0 0 0 0 3 1 0 0 0 1 0 0 0 0 0 -1.2367 5 3 1 1 0 0 0 1 0 1 3 2 99.252 0 0 0 0 1 8 259 0 0 0 1 0 0 0 1 0 0 0 0 0 3 0 0 0 0 0 0 0 0 3 1 0 1 3 1 0 1 0 1 0 0 0 0 0 0 4 0 0 1 0 4 0 0 3 3 2 2 1 0 0 2 1 0 0 0 0 -2.0535 14 8 3 3 0 0 0 2.5 0.5 2.5 2 7 330.999 0.999 0.666 0.333 0.999 -3 23 638 1 2 1 5 0 0 0 3 0 0 0 0 0 2 0 0 0 0 0 0 0 0 3 7 1 3 3 4 2 5 0 5 0 0 0 0 0 0 9 0 0 5 0 9 0 0 3 8 2 3 2 1 0 2 1 0 0 0 0 -3.5219 22 13 6 3 0 0 0 3.5 2.5 2.5 1 9 571.125 1.999 0.333 1.666 1.999 -3 43 473 6 5 4 1 0 0 0 0 0 0 2 3 0 1 0 0 0 0 0 0 0 0 9 9 4 0 9 4 8 1 0 10 0 0 0 3 0 0 9 0 0 10 3 9 0 0 4 8 0 2 0 0 0 3 3 1 1 0 0 -3.5806 22 12 2 7 1 0 1 2 0 4.5 0 10 538.034 1.332 1.332 0 1.332 -3 34 534 2 5 3 2 0 0 3 0 0 0 3 1 1 0 0 0 0 0 1 1 0 0 7 11 4 0 7 4 6 5 0 8 3 0 0 3 0 0 8 0 0 11 3 8 0 0 # 4.51 -0.29 28.91 Env_3lq8_5 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 0 0 0 1 0 0 0 0 1 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.4879 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 142 4 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 5 1 0 0 5 0 0 1 0 0 0 0 0 1 0 0 5 0 0 0 1 5 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 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 1 1 0 0 0 3 7 0 1 0 0 1 1 0 0 0 0 0 -0.0392 13 10 2 1 0 0 0 1.5 0.5 1 1 7 381.31 0 0 0 0.5 2 12 356 0 0 1 3 0 0 0 0 1 0 2 2 0 0 0 0 0 0 0 4 0 0 6 5 2 0 6 1 3 3 0 1 0 0 0 6 0 0 6 0 0 1 6 6 0 0 4 10 2 4 0 0 0 3 0 0 0 0 0 -1.5091 23 16 4 3 0 0 0 4 0 3 2 12 587.35 0.333 0.333 0 0.333 -1 24 430 0 0 4 2 3 0 0 0 2 0 4 2 2 1 0 0 0 0 0 3 0 0 10 4 9 0 10 7 4 2 0 4 0 0 2 8 0 0 9 0 0 4 10 9 0 0 1 11 5 4 0 0 1 4 2 0 2 1 0 -8.3879 31 17 5 6 3 0 0.5 4.5 0.5 5 6 11 763.573 0.666 0.666 0 1.166 1 54 723 0 0 3 3 3 0 0 0 2 0 4 1 6 5 0 1 0 0 0 3 0 0 18 4 9 0 18 7 3 3 0 5 1 0 3 7 1 0 14 0 0 6 11 14 0 0 # 4.93 3.93 23.69 Env_3lq8_6 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 23 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 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 -0.1705 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 92 0 0 0 0 1 0 0 0 0 0 1 0 4 0 0 0 0 0 0 0 0 0 5 0 1 0 5 1 0 0 0 0 0 0 0 6 0 0 0 0 0 0 6 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 72 0 0 0 0 1 0 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 1 1 2 2 0 0 0 0 0 0 0 3 0 0 1 0 0 0 3 1 0 0 4 10 0 4 0 0 0 1 0 0 1 0 0 -0.5859 20 14 4 1 1 0 0 4 0 1 0 13 563.703 0 0 0 0 1 13 343 0 0 0 3 3 0 0 1 0 0 4 5 4 0 0 0 0 0 0 0 0 0 8 8 3 1 8 4 5 3 0 0 1 0 3 12 0 0 4 0 0 1 15 4 0 0 2 11 0 3 0 0 0 5 0 0 0 0 0 -3.555 21 13 3 5 0 0 0 3 0 5 0 13 535.511 0 0 0 0 0 13 189 2 0 2 3 0 0 0 2 0 0 5 1 0 0 0 0 1 0 0 5 0 0 12 4 3 2 12 5 1 3 0 3 2 0 2 9 0 0 5 0 0 5 11 5 0 0 8 19 2 6 0 0 0 5 2 0 0 1 0 -4.3677 43 29 6 7 1 0 0.5 6 0 6 2 24 1141.97 0.999 0.999 0 0.999 1 50 744 3 3 2 5 1 0 0 0 5 0 9 1 5 2 0 0 1 0 0 6 0 0 25 9 9 0 25 4 9 5 0 5 5 0 3 9 5 0 16 0 0 10 17 16 0 0 # -1.86 4.78 23.39