# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3bqd # POINT_FILE ./pocket_res_ptf/3bqd_DAY_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_3bqd_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 31 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 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 -0.3149 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 213 0 0 1 0 0 0 0 0 0 0 4 0 0 0 0 0 1 0 0 0 0 0 4 0 2 0 4 2 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 2 0 0 0 0 0 3 0 0 0 0 0 -1.7626 5 2 0 3 0 0 0 0 0 3 0 3 101.502 0 0 0 0 -1 5 140 0 0 0 0 0 0 0 0 0 1 2 0 1 0 0 0 1 0 0 0 0 0 4 0 1 0 4 1 0 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 4 7 0 4 0 0 0 1 0 0 0 0 0 -0.4707 16 11 4 1 0 0 0 4 0 1 0 11 436.652 0 0 0 0 -1 8 546 0 0 3 0 0 0 0 1 0 1 3 0 2 0 0 0 6 0 0 0 0 0 6 0 9 1 6 10 0 0 0 0 16 0 0 0 0 0 0 0 0 16 0 0 0 0 3 10 3 3 0 0 0 3 0 1 0 0 0 -3.1212 23 16 3 4 0 0 1 3 0 3 3 12 600.662 0 0 0 0 0 27 795 0 1 4 0 0 0 0 1 0 2 4 0 5 3 0 0 3 0 0 0 0 0 14 1 7 1 14 8 1 0 0 0 20 0 0 3 0 0 0 0 0 20 3 0 0 0 2 11 3 2 0 0 0 2 0 0 0 0 0 -1.6663 20 16 2 2 0 0 0 2 0 2 3 6 566.455 0 0 0 0 9 33 621 0 1 0 0 0 0 0 2 0 2 5 0 4 4 0 0 2 0 0 0 0 0 15 1 2 2 15 4 1 0 0 0 13 0 0 7 0 0 0 0 0 13 7 0 0 0 # 38.27 32.57 14.26 Env_3bqd_1 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 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 -0.3149 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 97 1 0 0 0 0 0 0 1 0 0 4 0 0 0 0 0 0 0 0 0 0 0 5 0 0 1 5 1 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 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 94 1 0 0 0 0 0 0 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 4 0 0 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 4 5 0 3 0 0 0 2 0 1 0 0 0 -1.1673 15 9 3 3 0 0 1 3 0 2 0 11 384.146 0 0 0 0 -3 7 253 5 2 0 0 0 0 0 2 0 0 1 0 1 2 0 1 0 1 0 0 0 0 9 2 2 2 10 3 2 0 0 0 15 0 0 0 0 0 0 0 0 15 0 0 0 0 3 10 0 3 1 0 0 3 0 0 0 0 0 -1.5657 20 13 4 3 0 0 0 3 1 3 0 15 533.102 0 0 0 0 -5 11 409 2 5 0 0 2 0 0 1 0 0 1 0 1 2 0 3 0 3 0 0 0 0 6 5 8 1 9 6 5 0 0 0 18 0 0 2 0 0 0 0 0 18 2 0 0 0 5 19 9 4 2 0 0 4 0 1 0 0 0 -4.8673 44 33 6 5 0 0 1 5 1 4 8 17 1193.64 0.999 0 0.999 0.999 9 73 961 1 4 0 0 3 0 0 0 0 0 7 0 8 11 0 2 0 3 3 2 0 0 29 4 11 0 32 8 4 0 0 0 26 0 0 18 0 0 0 0 0 26 18 0 0 0 # 40.92 36.1 3.22 Env_3bqd_2 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 18 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 1 0 0 0 0 0 0 0 0 1 0 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 73 0 0 0 0 0 0 0 4 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 4 1 4 0 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 -1.7037 3 0 0 3 0 0 0 0 0 3 0 3 34.482 0 0 0 0 -3 0 71 0 0 1 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 1 0 2 1 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 4 8 0 3 0 0 0 1 0 0 0 0 0 0.4033 16 12 3 1 0 0 0 3 0 1 0 12 456.025 0 0 0 0 0 7 520 0 1 2 0 0 3 0 2 0 0 6 0 2 0 0 0 0 0 0 0 0 0 8 1 5 2 8 7 1 0 0 0 16 0 0 0 0 0 0 0 0 16 0 0 0 0 3 16 0 4 0 0 0 1 0 0 1 0 0 -2.5423 25 19 4 1 1 0 0 4 0 1 0 10 728.614 0 0 0 0 8 34 1001 0 4 2 0 0 4 0 1 0 0 5 0 4 0 1 0 0 0 0 4 0 0 14 4 6 1 14 7 4 0 0 0 24 0 0 0 0 0 1 0 0 24 0 1 0 0 3 9 4 2 0 0 0 5 0 0 0 0 0 -3.4499 23 16 2 5 0 0 0 2 0 5 4 7 581.017 0 0 0 0 5 42 825 0 1 2 0 0 2 0 0 0 1 4 0 3 1 2 0 2 3 0 2 0 0 13 1 9 0 16 6 1 0 0 0 19 0 0 1 0 0 3 0 0 19 1 3 0 0 # 34.4 31.27 10.12 Env_3bqd_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 37 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 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 -0.1705 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 156 1 0 0 0 0 0 0 0 0 0 1 0 4 0 0 0 0 0 0 0 0 0 6 0 0 0 6 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 2 0 0 0 0 0 3 0 0 1 0 0 -2.0291 6 2 0 3 1 0 0 0 0 3 0 3 128.023 0 0 0 0 0 9 160 0 0 0 0 0 0 0 0 0 0 1 0 4 0 0 0 0 1 0 0 0 0 5 0 1 0 6 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 4 6 0 3 0 0 0 1 0 0 0 0 0 0.0571 14 10 3 1 0 0 0 3 0 1 0 11 389.005 0 0 0 0 -1 3 134 5 0 0 0 0 0 0 0 0 0 3 0 2 1 0 2 0 1 0 0 0 0 11 0 3 0 12 2 0 0 0 0 14 0 0 0 0 0 0 0 0 14 0 0 0 0 2 8 1 3 0 0 0 2 0 0 1 0 0 -1.5646 17 11 3 2 1 0 0 3 0 2 1 12 453.541 0 0 0 0 0 11 201 3 0 0 0 0 0 0 0 0 0 4 0 2 3 0 3 0 2 0 0 0 0 12 0 5 0 14 3 0 0 0 0 17 0 0 0 0 0 0 0 0 17 0 0 0 0 3 15 4 2 0 0 0 3 0 1 0 0 0 -3.3235 28 22 2 4 0 0 1 2 0 3 4 8 771.351 0 0 0 0 12 46 460 2 0 0 0 0 4 0 1 0 0 6 1 3 2 0 3 0 5 0 1 0 0 14 1 12 1 19 8 1 0 0 0 28 0 0 0 0 0 0 0 0 28 0 0 0 0 # 37.72 31.01 2.58 Env_3bqd_4 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 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 -0.1705 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 118 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 1 0 1 0 0 0 0 4 0 2 0 5 1 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 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 68 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 1 0 0 0 0 2 0 1 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 2 7 8 3 0 0 0 1 0 0 0 0 0 -1.3611 21 17 3 1 0 0 0 3 0 1 8 9 549.837 0 0 0 0 5 39 394 0 0 0 0 0 0 0 0 0 0 1 0 4 0 0 5 0 11 0 0 0 0 5 0 16 0 16 5 0 0 0 0 21 0 0 0 0 0 0 0 0 21 0 0 0 0 2 13 0 1 0 0 1 2 0 1 0 0 0 -3.3507 20 15 2 3 0 0 1 1 1 2 1 9 577.511 0 0 0 0 4 24 196 3 0 0 0 0 0 0 0 0 0 6 0 2 0 0 3 0 1 1 4 0 0 15 0 5 0 16 4 0 0 0 0 20 0 0 0 0 0 0 0 0 20 0 0 0 0 4 10 0 4 0 0 0 5 0 2 1 0 0 -3.3851 26 14 4 7 1 0 2 4 0 5 0 14 643.993 0 0 0 0 -2 29 305 1 0 0 0 0 1 0 0 0 0 11 0 3 1 0 3 0 0 2 4 0 0 20 0 6 0 20 6 0 0 0 0 26 0 0 0 0 0 0 0 0 26 0 0 0 0 # 38.25 26.08 2.85 Env_3bqd_5 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0142 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 31 0 0 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 1 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 -0.4087 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 225 0 0 4 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 2 0 4 0 2 4 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 1 0 0 1 0 0 0 4 0 0 0 0 0 -2.5029 6 1 1 4 0 0 0 1 0 4 0 3 90.984 0 0 0 0 -5 8 170 0 0 3 0 0 0 0 0 0 0 1 0 1 0 0 0 1 0 0 0 0 0 2 0 4 0 2 4 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 4 6 0 3 0 0 0 2 0 0 0 0 0 -0.1653 15 10 3 2 0 0 0 3 0 2 0 12 400.499 0 0 0 0 -3 3 660 0 0 0 0 0 0 1 2 0 0 4 0 4 0 1 0 3 0 0 0 0 0 9 1 3 2 9 5 0 1 0 0 13 0 0 0 0 0 2 0 0 13 0 2 0 0 4 12 3 5 0 0 0 2 0 0 1 0 0 -1.6742 27 19 5 2 1 0 0 5 0 2 3 16 729.975 0 0 0 0 4 27 944 0 0 0 0 0 0 1 2 0 1 5 0 5 7 2 0 4 0 0 0 0 0 20 1 4 2 20 6 0 1 0 0 17 0 0 0 0 0 10 0 0 17 0 10 0 0 1 16 3 2 0 0 0 3 0 1 0 0 0 -3.3513 26 20 2 4 0 0 1 2 0 3 3 9 729.146 0 0 0 0 8 36 921 0 0 0 0 0 0 3 2 0 2 6 0 2 4 2 0 5 0 0 0 0 0 16 3 5 2 16 7 0 3 0 0 16 0 0 0 0 0 10 0 0 16 0 10 0 0 # 36.31 29.32 14.08 Env_3bqd_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 31 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 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 -0.1705 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 187 0 0 0 0 0 0 0 0 1 0 1 0 4 0 0 0 0 0 0 0 0 0 5 0 1 0 5 0 1 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 -1.1341 3 1 0 2 0 0 0 0 0 2 0 2 56.498 0 0 0 0 -1 2 62 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 2 0 1 1 1 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 3 6 0 3 0 0 0 1 0 0 1 0 0 -1.14 14 9 3 1 1 0 0 3 0 1 0 9 382.016 0 0 0 0 1 10 461 0 0 0 0 1 0 0 0 3 0 4 2 1 0 0 0 0 0 1 2 0 0 7 2 5 0 7 2 5 0 0 0 13 0 0 1 0 0 0 0 0 13 1 0 0 0 2 20 1 3 0 0 0 3 0 0 0 0 0 -2.8178 29 23 3 3 0 0 0 3 0 3 1 13 834.692 0 0 0 0 8 35 770 3 0 0 0 3 2 0 0 1 0 10 2 1 0 0 1 0 0 3 3 0 0 17 2 10 0 17 9 3 0 0 0 27 0 0 2 0 0 0 0 0 27 2 0 0 0 3 15 4 2 0 0 1 2 0 1 0 1 0 -3.5827 29 22 3 3 1 0 1.5 2.5 0.5 2 5 11 812.399 0 0 0 0.5 6 38 741 2 0 0 0 1 1 0 2 2 0 8 2 0 1 0 3 0 0 3 4 0 0 15 2 10 2 15 10 4 0 0 0 27 0 0 2 0 0 0 0 0 27 2 0 0 0 # 47.05 32 4.55 Env_3bqd_7 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 32 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 1 130 1 0 0 0 1 0 0 0 0 0 0 0 0 4 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 0 3 0 0 0 0 2 0 0 0 0 0 -1.375 5 3 0 2 0 0 0 0 0 2 3 2 96.609 0 0 0 0 1 8 116 0 0 0 0 1 0 0 0 0 0 1 0 0 3 0 0 0 0 0 0 0 0 4 0 1 0 4 1 0 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 3 6 2 1 0 0 0 2 0 0 0 0 0 -1.175 14 11 1 2 0 0 0 1 0 2 2 8 391.757 0 0 0 0 2 16 117 4 0 0 0 3 0 0 0 0 0 5 0 0 2 0 0 0 0 0 0 0 0 11 0 3 0 11 3 0 0 0 0 2 0 0 12 0 0 0 0 0 2 12 0 0 0 0 13 1 4 1 0 0 0 0 0 0 1 0 -3.9301 20 14 5 0 1 0 0.5 4.5 0.5 0 1 6 579.941 0.333 0 0.333 0.333 4 38 546 0 2 0 0 1 1 0 0 0 2 12 0 0 1 1 0 0 0 0 0 0 0 16 2 2 0 16 2 2 0 0 0 8 0 0 11 1 0 0 0 0 8 12 0 0 0 4 21 1 4 1 0 0 2 1 1 0 0 0 -3.2479 35 26 5 4 0 0 1 4 1 2.5 0 11 976.807 0.666 0.333 0.333 0.666 9 55 1100 1 4 0 3 0 2 0 0 0 9 13 0 0 0 2 1 0 0 0 0 0 0 25 7 3 0 25 3 4 3 0 0 15 0 0 13 5 0 2 0 0 15 18 2 0 0 # 39.77 38.51 9