# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3bz3 # POINT_FILE ./pocket_res_ptf/3bz3_YAM_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_3bz3_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 58 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 1 244 0 0 0 0 0 0 0 1 0 0 4 0 0 0 0 1 0 0 0 0 0 0 4 0 1 1 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 2 0 0 0 0 0 -1.2354 4 2 0 2 0 0 0 0 0 2 0 1 90.008 0 0 0 0 0 9 217 0 0 0 0 0 1 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 1 1 2 2 0 0 0 0 3 0 0 0 0 1 0 0 0 3 1 0 0 0 5 5 0 3 0 0 0 2 1 0 0 0 0 -0.7107 16 10 3 3 0 0 0 3 0 2.5 0 9 399.066 0.666 0.666 0 0.666 -4 17 539 0 1 0 5 0 2 0 2 0 0 1 0 0 2 0 3 0 0 0 0 0 0 3 6 5 2 3 7 1 5 0 0 8 0 0 0 0 2 6 0 0 8 2 6 0 0 2 8 0 3 0 1 0 3 3 1 0 0 0 -5.4173 21 10 4 7 0 0 1 3 1 4.5 0 10 492.14 2.332 1.332 1 2.332 -7 34 1104 0 4 1 3 0 2 3 1 0 0 0 3 0 2 0 2 0 0 0 0 0 0 2 13 5 1 2 6 7 6 0 1 7 0 0 3 0 2 8 0 0 8 5 8 0 0 4 10 0 3 0 0 0 2 0 0 0 0 0 -0.6657 19 14 3 2 0 0 0 3 0 2 0 9 531.9 0 0 0 0 2 19 1213 0 2 2 0 0 2 4 5 0 0 0 1 0 1 0 0 0 0 1 1 0 0 2 7 5 5 2 10 3 4 0 2 3 0 0 4 0 2 8 0 0 5 6 8 0 0 # 5.18 8.22 9.97 Env_3bz3_1 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 59 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 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 1 318 0 0 0 0 1 0 0 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 4 0 1 1 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 1 0 0 0 0 0 -0.9312 3 2 0 1 0 0 0 0 0 1 0 1 78.514 0 0 0 0 1 4 176 0 0 0 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 2 0 1 0 2 1 0 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 2 4 0 1 0 0 0 3 0 0 0 1 0 -1.451 11 6 1 3 1 0 0.5 1 0 3 0 8 276.2 0 0 0 0 -4 6 565 0 1 0 0 4 0 0 3 0 1 0 0 0 0 0 0 0 0 0 2 0 0 3 1 4 3 3 7 1 0 0 0 0 0 0 11 0 0 0 0 0 0 11 0 0 0 2 6 0 4 1 0 0 1 0 0 0 0 0 -1.9931 14 8 5 1 0 0 0 4.5 0.5 1 0 9 360.551 0.333 0 0.333 0.333 -2 12 955 0 3 0 0 0 2 1 0 4 0 0 0 0 0 0 0 0 0 0 4 0 0 4 4 6 0 4 2 7 1 0 0 0 0 0 14 0 0 0 0 0 0 14 0 0 0 3 8 4 2 1 0 1 1 1 0 0 0 0 -1.3845 21 15 4 2 0 0 0 2.5 1.5 1.5 4 5 535.861 0.999 0.666 0.333 1.499 -2 48 1872 0 6 0 1 0 5 3 0 5 0 0 0 0 0 0 0 0 0 0 1 0 0 1 10 10 0 1 5 11 4 0 0 0 0 0 21 0 0 0 0 0 0 21 0 0 0 # 9.61 2.78 0 Env_3bz3_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 13 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 0.0331 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 136 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 4 0 0 4 1 1 0 4 0 1 1 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 -2.3561 5 2 0 3 0 0 0 0 0 3 0 3 101.502 0 0 0 0 -1 4 102 0 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 2 0 0 3 1 0 1 3 1 0 1 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 3 6 1 4 0 0 1 2 0 0 0 0 0 -1.7366 17 10 5 2 0 0 0 4.5 0.5 2 2 12 415.842 0 0 0 0.5 -4 9 484 0 0 0 3 0 0 0 3 6 2 0 2 0 0 0 0 1 0 0 0 0 0 2 5 7 3 2 4 8 3 0 0 0 0 0 15 0 1 1 0 0 0 16 1 0 0 6 14 2 5 0 0 1 1 1 1 0 1 0 -0.9311 32 22 6 3 1 0 1.5 5.5 0.5 1.5 3 17 870.884 0.666 0.666 0 1.166 -4 32 1443 0 0 0 2 4 1 3 3 3 9 0 3 0 0 0 0 4 0 0 0 0 0 9 8 12 3 9 12 6 5 0 0 0 0 0 26 0 1 5 0 0 0 27 5 0 0 3 15 0 2 0 1 0 6 1 0 0 0 0 -4.9546 28 18 3 7 0 0 0 2 1 6.5 0 15 748.065 1.333 0.333 1 1.333 3 32 1526 4 2 0 1 2 1 3 3 0 4 3 3 0 0 0 0 2 0 0 0 0 0 11 9 5 3 11 8 5 4 0 0 3 0 0 19 1 2 3 0 0 3 22 3 0 0 # 8.74 8.24 1.24 Env_3bz3_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 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 0 0 0 0 0 1 0 0 0 0 0 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 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 32 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 0 1 0 1 0 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 3 14 0 3 0 0 0 2 0 0 0 0 0 -1.3839 22 17 3 2 0 0 0 3 0 2 0 13 635.069 0 0 0 0 4 17 311 0 0 0 0 0 2 1 0 1 6 3 0 5 0 0 0 0 0 0 4 0 0 18 1 3 0 18 2 1 1 0 0 0 0 0 19 0 0 3 0 0 0 19 3 0 0 4 13 0 5 0 0 0 5 0 0 0 0 0 -4.1084 27 17 5 5 0 0 0 5 0 5 0 18 697.825 0 0 0 0 -1 18 558 2 0 0 0 0 3 3 3 2 7 3 1 1 0 0 0 0 0 0 2 0 0 15 4 5 3 15 6 3 3 0 0 0 0 0 24 0 0 3 0 0 0 24 3 0 0 4 14 0 3 0 0 0 3 0 0 1 0 0 -1.0055 25 18 3 3 1 0 0 3 0 3 0 13 706.594 0 0 0 0 6 20 492 1 0 0 0 1 1 1 1 1 9 2 3 1 0 0 0 0 0 0 4 0 0 17 4 3 1 17 3 4 1 0 0 0 0 0 22 0 0 3 0 0 0 22 3 0 0 # 15.16 8.09 3.65 Env_3bz3_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 28 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 -0.3054 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 271 0 0 0 0 0 0 1 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 3 1 3 0 1 0 0 0 0 0 4 1 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 -0.5679 1 0 0 1 0 0 0 0 0 1 0 1 11.494 0 0 0 0 -1 0 75 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 1 0 0 0 0 0 1 0 0 0 3 6 0 2 0 0 0 4 0 0 0 0 0 -1.8506 15 9 2 4 0 0 0 2 0 4 0 11 375.84 0 0 0 0 -2 7 1031 0 0 0 0 2 0 5 0 0 0 4 0 0 0 0 0 2 0 0 2 0 0 6 5 4 0 6 4 0 5 0 0 0 0 0 8 5 0 2 0 0 0 13 2 0 0 3 10 0 2 0 0 0 0 0 0 0 0 0 1.4641 15 13 2 0 0 0 0 2 0 0 0 8 450.973 0.333 0.333 0 0.333 3 12 566 0 0 0 0 2 0 1 0 0 0 6 0 0 0 0 0 2 0 0 4 0 0 10 1 4 0 10 4 0 1 0 0 1 0 0 9 3 0 2 0 0 1 12 2 0 0 2 16 2 4 0 0 0 4 2 1 0 1 0 -7.1478 32 20 4 7 1 0 1.5 4 0 5 2 12 824.756 0.666 0.666 0 0.666 1 48 1305 0 0 0 0 2 1 2 0 0 4 9 0 0 5 0 4 2 0 0 3 0 0 21 2 9 0 21 9 0 2 0 0 9 0 0 15 4 0 4 0 0 9 19 4 0 0 # 13.16 -2.13 5.46 Env_3bz3_5 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 44 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 -0.3149 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 177 0 0 0 0 0 0 0 0 0 0 4 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 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 5 117 0 0 0 0 0 0 0 1 0 0 2 0 0 0 0 0 0 0 0 1 0 0 3 0 0 1 3 1 0 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 4 10 0 4 0 0 0 1 0 0 0 1 0 -0.9533 20 14 4 1 1 0 0.5 4 0 1 0 12 563.703 0 0 0 0 0 13 507 0 0 0 0 2 0 3 1 0 0 3 3 0 0 0 0 0 0 0 8 0 0 11 6 2 1 11 3 3 3 0 0 2 0 0 16 0 0 2 0 0 2 16 2 0 0 3 13 0 4 0 0 0 4 0 0 0 0 0 -2.824 24 16 4 4 0 0 0 4 0 4 0 17 638.684 0 0 0 0 -1 11 430 0 0 2 0 2 0 2 4 0 0 4 2 0 0 0 1 0 0 0 7 0 0 11 4 5 4 11 9 2 2 0 2 2 0 0 16 0 0 4 0 0 4 16 4 0 0 7 13 0 5 0 0 0 7 0 1 0 0 0 -3.8352 33 20 5 8 0 0 1 5 0 7 0 23 838.5 0 0 0 0 -5 21 943 2 3 2 0 4 0 1 1 0 0 11 2 0 0 0 3 0 0 0 4 0 0 17 6 9 1 17 10 5 1 0 6 5 0 0 13 5 0 4 0 0 11 18 4 0 0 # 12.56 -1.05 10.78 Env_3bz3_6 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 0 112 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 -0.3241 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 477 0 0 0 0 0 0 4 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 4 0 1 1 1 0 4 0 0 1 0 0 5 0 0 0 0 0 1 5 0 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 2 140 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 1 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 2 5 0 2 0 0 0 1 2 0 0 0 0 -2.2172 12 7 2 3 0 0 0 2 0 2 0 7 289.681 0.999 0.999 0 0.999 -3 15 543 0 1 0 0 0 0 3 2 0 0 5 0 0 0 0 0 0 0 0 1 0 0 6 4 0 2 6 2 1 3 0 0 4 0 0 8 0 0 0 0 0 4 8 0 0 0 5 11 0 4 0 0 0 4 0 1 0 0 0 -1.4665 25 16 4 5 0 0 1 4 0 4 0 17 655.841 0 0 0 0 -3 11 909 1 4 0 0 0 0 0 0 0 0 7 0 0 3 0 5 0 0 0 5 0 0 16 4 5 0 16 5 4 0 0 2 12 0 0 9 2 0 0 0 0 14 11 0 0 0 5 13 2 4 0 0 0 5 0 0 0 0 0 -3.3341 29 20 4 5 0 0 0 4 0 5 2 17 764.298 0 0 0 0 2 25 752 1 4 2 0 2 0 0 0 0 0 9 0 0 3 0 1 0 0 0 7 0 0 20 4 5 0 20 5 4 0 0 5 10 0 0 9 3 0 2 0 0 15 12 2 0 0 # 10.06 -3.03 7.45