# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3bkl # POINT_FILE ./pocket_res_ptf/3bkl_KAW_A_800.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_3bkl_0 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 1 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 5 0 0 0 0 0 0 1 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 0 0 0 5 1 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 2 0 0 0 1 2 0 0 0 0 0 -1.7128 5 2 1 2 0 0 0 0.5 0.5 2 3 2 84.225 0 0 0 0.5 -3 8 29 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 4 0 1 0 4 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 5 6 1 5 0 0 1 3 1 0 0 0 0 -1.957 22 12 6 4 0 0 0 5.5 0.5 3.5 2 17 535.014 0.333 0.333 0 0.833 -8 13 105 2 0 0 2 0 0 3 5 5 0 0 0 1 0 0 0 0 0 0 4 0 0 7 5 5 5 7 5 5 5 0 0 22 0 0 0 0 0 0 0 0 22 0 0 0 0 5 11 2 3 0 0 0 2 3 0 0 0 0 -1.7371 26 18 3 5 0 0 0 3 0 3.5 2 13 665.208 1.665 1.665 0 1.665 -2 29 137 3 0 0 4 0 0 6 2 3 1 0 0 3 0 0 0 0 0 0 4 0 0 11 10 3 2 11 2 3 10 0 0 26 0 0 0 0 0 0 0 0 26 0 0 0 0 4 11 5 4 0 0 3 8 1 0 0 0 0 -6.7675 36 20 7 9 0 0 0 5.5 1.5 8.5 8 19 840.803 0.333 0.333 0 1.833 -7 46 224 5 0 0 2 0 1 3 1 9 4 2 0 2 2 0 0 0 0 0 5 0 0 20 5 10 1 20 2 9 5 0 0 35 0 0 0 0 0 1 0 0 35 0 1 0 0 # 37.59 45.74 43.18 Env_3bkl_1 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 9 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 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 -0.3241 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 58 1 0 0 0 0 0 4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 1 0 1 4 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 1 1 0 0 0 0 0 2 1 0 0 0 0 -1.1355 5 2 0 3 0 0 0 0 0 2.5 0 2 91.214 0.666 0.666 0 0.666 -2 9 49 0 0 0 0 0 0 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 1 1 3 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 3 5 2 2 0 0 4 2 1 1 0 0 0 -2.9768 20 10 6 4 0 0 1 4 2 2.5 6 9 473.11 0.333 0.333 0 2.333 -8 31 129 3 0 0 0 0 0 1 1 9 1 0 0 0 2 1 2 0 0 0 0 0 0 7 1 11 1 7 3 9 1 0 0 20 0 0 0 0 0 0 0 0 20 0 0 0 0 3 4 7 3 0 0 1 2 2 0 0 0 0 -2.8446 22 14 4 4 0 0 0 3.5 0.5 3 8 11 497.27 0.999 0.999 0 1.499 -6 30 170 1 2 0 3 0 0 0 3 6 1 0 0 0 2 1 1 0 0 2 0 0 0 5 5 9 3 5 6 8 3 0 0 22 0 0 0 0 0 0 0 0 22 0 0 0 0 7 20 7 6 0 0 0 4 0 1 0 0 0 -3.4041 45 34 6 5 0 0 1 6 0 4 8 22 1229.79 0 0 0 0 6 59 291 0 4 1 3 0 1 0 3 9 5 0 0 0 2 2 3 0 0 12 0 0 0 9 7 26 3 9 20 13 3 0 0 44 0 0 0 0 1 0 0 0 44 1 0 0 0 # 41.96 39.98 42.94 Env_3bkl_2 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 8 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 -0.3872 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 69 4 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 4 0 2 0 4 1 1 0 0 0 0 0 0 1 0 1 4 0 0 0 2 4 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 -1.1572 2 0 0 2 0 0 0 0 0 2 0 2 22.988 0 0 0 0 -2 0 18 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 2 0 0 0 0 0 0 1 0 1 0 0 0 0 2 0 0 0 4 8 2 2 0 1 0 2 2 1 0 0 0 -1.8804 22 14 3 5 0 0 1 2 1 3 2 10 566.492 1.999 0.999 1 1.999 -2 30 233 0 0 0 0 2 4 4 0 5 0 0 2 0 0 0 5 0 0 0 0 0 0 0 6 16 0 0 11 7 4 0 0 4 0 0 7 0 5 6 0 0 4 12 6 0 0 2 6 1 4 0 0 2 2 0 0 0 0 0 -3.5233 17 9 6 2 0 0 0 5 1 2 3 7 406.214 0 0 0 1 -6 31 136 1 0 0 0 2 4 0 0 3 1 0 4 0 0 0 0 0 0 0 2 0 0 4 4 9 0 4 6 7 0 0 0 1 0 0 6 0 3 7 0 0 1 9 7 0 0 4 12 3 1 0 0 1 2 2 0 0 0 0 -1.3967 25 19 2 4 0 0 0 1 1 3 4 10 688.77 0.999 0.999 0 0.999 2 39 312 1 0 0 0 5 1 5 0 1 3 0 2 0 2 0 0 0 1 0 4 0 0 10 7 8 0 11 6 3 5 0 0 5 0 0 7 5 0 8 0 0 5 12 8 0 0 # 43.44 51.04 48.41 Env_3bkl_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 10 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 -0.2121 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 40 0 0 0 0 0 0 0 1 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 4 1 1 1 4 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 2 0 0 0 1 2 0 0 0 0 0 -1.3428 5 2 1 2 0 0 0 0.5 0.5 2 3 2 84.225 0 0 0 0.5 -3 9 42 0 0 0 0 0 0 1 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 1 3 1 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 3 5 3 3 0 0 3 3 0 0 0 0 0 -2.6384 20 11 6 3 0 0 0 4.5 1.5 3 6 11 479.831 0 0 0 1.5 -5 26 146 1 0 0 0 0 1 1 2 7 3 0 0 2 1 0 0 0 0 2 0 0 0 7 1 10 2 7 5 7 1 0 0 19 0 0 1 0 0 0 0 0 19 1 0 0 0 4 12 9 3 0 0 0 1 1 0 0 0 0 -1.1869 30 25 3 2 0 0 0 3 0 1.5 9 14 825.065 0.333 0.333 0 0.333 8 39 285 1 0 0 0 0 3 3 0 6 4 0 0 2 7 0 0 0 0 4 0 0 0 14 3 13 0 14 7 6 3 0 0 29 0 0 1 0 0 0 0 0 29 1 0 0 0 4 15 6 6 0 0 1 6 1 1 0 0 0 -6.4498 40 25 7 8 0 0 1 6.5 0.5 6.5 7 20 982.602 0.666 0.666 0 1.166 -2 59 202 3 0 0 0 0 2 8 2 7 8 0 0 2 3 0 0 0 1 4 0 0 0 16 8 14 2 17 8 7 8 0 0 33 0 0 6 0 1 0 0 0 33 7 0 0 0 # 37.88 41.32 48.48 Env_3bkl_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 0 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 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 -0.3241 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 3 0 0 0 0 0 0 4 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 4 1 0 1 0 1 4 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 1 1 0 0 0 0 0 1 1 0 0 0 0 -0.5676 4 2 0 2 0 0 0 0 0 1.5 0 1 79.72 0.666 0.666 0 0.666 -1 9 1 0 0 0 0 0 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 1 0 0 0 1 3 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 3 8 4 3 0 0 0 3 1 0 0 0 0 -2.399 22 15 3 4 0 0 0 3 0 3.5 4 11 553.84 0.333 0.333 0 0.333 -1 23 97 3 0 0 0 0 0 1 1 11 2 0 0 3 0 0 0 0 0 0 1 0 0 9 1 11 1 9 1 11 1 0 0 19 0 0 3 0 0 0 0 0 19 3 0 0 0 4 10 3 4 0 0 4 3 0 0 1 0 0 -3.405 29 17 8 3 1 0 0 6 2 3 7 15 735.686 0 0 0 2 -4 42 191 4 0 0 0 0 1 0 2 10 4 0 0 3 1 0 2 0 0 0 2 0 0 14 0 13 2 14 5 10 0 0 0 22 0 0 6 0 0 1 0 0 22 6 1 0 0 5 12 2 4 0 0 0 5 1 0 0 0 0 -3.2097 29 19 4 6 0 0 0 4 0 5.5 2 18 748.228 0.333 0.333 0 0.333 -2 26 252 6 0 0 1 0 2 0 4 3 4 0 0 0 2 0 2 0 0 0 5 0 0 17 1 7 4 17 8 3 1 0 0 19 0 0 4 0 0 6 0 0 19 4 6 0 0 # 38.03 46.28 46.9 Env_3bkl_5 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 0 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 -0.2121 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 14 0 0 0 0 0 0 0 0 4 1 0 0 0 1 0 0 0 0 0 0 0 0 2 0 4 0 2 0 4 0 0 0 5 0 0 0 1 0 0 0 0 5 1 0 0 0 0 0 2 0 0 0 1 1 0 0 0 0 0 -1.1449 4 2 1 1 0 0 0 0.5 0.5 1 3 1 72.731 0 0 0 0.5 -2 8 14 0 0 0 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 3 0 1 0 3 0 0 0 3 0 0 0 1 0 0 0 0 3 1 0 0 0 2 10 4 5 1 0 1 2 0 1 0 0 0 -3.5285 26 16 7 3 0 0 1 6 1 2 5 13 658.1 0.333 0 0.333 0.833 -3 32 335 0 1 0 0 0 0 0 0 2 3 0 2 0 6 2 5 0 0 0 5 0 0 16 3 7 0 16 5 5 0 0 0 12 0 0 0 7 2 5 0 0 12 9 5 0 0 4 11 6 0 1 0 0 2 0 0 0 0 0 -0.3903 24 21 1 2 0 0 0 0.5 0.5 2 5 9 703.251 0.666 0 0.666 0.666 8 49 196 0 2 0 0 0 0 0 0 0 3 0 5 0 3 3 4 0 0 2 2 0 0 11 7 6 0 11 6 7 0 0 0 10 0 0 0 5 5 4 0 0 10 10 4 0 0 3 9 7 3 1 1 2 4 1 2 0 0 0 -6.7312 33 19 7 7 0 0 2 4 3 4.5 11 10 775.664 1.333 0.333 1 2.333 -4 76 271 0 2 0 0 0 0 1 0 5 1 0 2 0 0 8 2 0 0 11 1 0 0 10 5 18 0 10 13 9 1 0 1 13 0 0 0 2 7 10 0 0 14 9 10 0 0 # 53.79 47.04 45.87 Env_3bkl_6 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 0 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 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 -0.0831 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 41 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 4 0 0 0 1 1 4 0 1 4 1 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 3 0 0 0 0 2 0 0 0 0 0 -1.5392 5 3 0 2 0 0 0 0 0 2 3 2 96.609 0 0 0 0 1 8 41 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 1 4 0 0 4 1 0 0 0 4 0 0 0 0 0 1 0 0 4 0 1 0 0 3 10 4 3 0 0 0 1 0 0 0 0 0 -0.4946 21 17 3 1 0 0 0 3 0 1 4 10 595.619 0 0 0 0 5 26 192 0 4 0 0 0 0 2 0 0 2 0 0 0 5 0 4 0 0 3 1 0 0 8 6 7 0 8 7 4 2 0 0 20 0 0 0 0 0 1 0 0 20 0 1 0 0 5 9 8 2 0 0 0 1 1 2 0 0 0 -1.5933 28 22 2 4 0 0 2 2 0 1.5 10 11 712.908 0.666 0.666 0 0.666 4 49 75 0 1 0 0 0 0 2 1 0 2 0 0 0 9 0 4 0 0 6 3 0 0 14 3 10 1 14 11 1 2 0 0 23 0 0 0 0 0 5 0 0 23 0 5 0 0 6 8 11 8 1 0 0 8 2 3 0 0 0 -10.9493 47 25 9 13 0 0 3 8 1 9 11 22 1070.59 0.666 0.666 0 0.666 -5 84 180 1 1 0 1 0 1 5 3 1 5 0 0 0 10 4 4 0 0 8 3 0 0 23 7 14 3 23 16 2 6 0 1 39 0 0 0 0 0 7 0 0 40 0 7 0 0 # 47.08 40.9 39.15 Env_3bkl_7 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 18 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 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 -0.2121 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 96 1 0 0 0 1 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 5 0 1 1 4 0 0 0 0 0 0 0 0 4 2 0 0 0 4 2 0 0 0 0 2 0 0 0 1 1 0 0 0 0 0 -1.1449 4 2 1 1 0 0 0 0.5 0.5 1 3 1 72.731 0 0 0 0.5 -2 8 70 0 0 0 0 1 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 1 3 0 0 0 0 0 0 0 0 3 1 0 0 0 3 1 0 0 3 5 1 1 0 1 1 2 1 0 0 0 0 -1.3759 15 9 3 3 0 0 0 1.5 1.5 2.5 2 7 387.021 1.666 0.666 1 2.166 -2 24 211 4 0 0 0 3 0 2 0 2 0 0 1 0 0 0 0 0 0 0 3 0 0 7 3 5 0 7 3 3 2 0 0 0 0 0 1 2 2 10 0 0 0 5 10 0 0 0 5 6 1 0 0 0 1 1 0 1 0 0 -2.4422 15 11 1 2 1 0 0.5 1 0 1.5 6 3 387.023 0.333 0.333 0 0.333 4 35 227 0 0 0 0 1 0 2 0 0 0 0 2 0 7 0 1 0 0 0 2 0 0 9 4 2 0 9 2 2 2 0 0 0 0 0 3 9 0 3 0 0 0 12 3 0 0 3 12 2 3 0 0 0 0 1 3 1 0 0 -3.4361 25 17 3 4 1 0 3.5 3 0 0.5 3 8 677.301 0.333 0.333 0 0.333 1 44 244 0 0 0 0 4 5 2 0 0 0 1 3 0 0 0 4 0 0 4 2 0 0 3 5 17 0 3 17 3 2 0 0 6 0 0 6 2 0 11 0 0 6 8 11 0 0 # 46.74 52.95 48.42