# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3kba # POINT_FILE ./pocket_res_ptf/3kba_WOW_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_3kba_0 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 19 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 1 107 1 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 1 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 88 0 0 0 0 0 0 0 0 0 0 1 0 0 3 0 0 0 0 1 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 3 1 2 0 0 2 0 0 0 0 0 -1.6742 17 12 3 2 0 0 0 1.5 1.5 2 2 8 457.344 0.666 0 0.666 0.666 1 31 289 4 3 0 0 0 0 0 0 0 0 5 0 0 2 0 0 0 0 3 0 0 0 11 3 3 0 11 3 3 0 0 0 5 0 0 12 0 0 0 0 0 5 12 0 0 0 0 16 4 3 1 0 0 0 0 1 0 0 0 -4.2222 25 20 4 1 0 0 1 3.5 0.5 0 4 7 720.299 0.333 0 0.333 0.333 10 47 456 0 3 0 0 0 0 0 0 0 2 14 0 0 1 1 1 0 0 3 0 0 0 18 3 4 0 18 4 3 0 0 0 11 0 0 13 1 0 0 0 0 11 14 0 0 0 6 16 2 6 0 0 0 4 1 0 0 0 0 -3.653 35 24 6 5 0 0 0 6 0 4.5 3 16 932.558 0.333 0.333 0 0.333 3 43 807 1 3 0 3 0 1 0 2 0 5 12 0 1 0 2 2 0 0 3 0 0 0 21 6 6 2 21 8 3 3 0 0 14 0 0 14 5 0 2 0 0 14 19 2 0 0 # -7.09 -14.71 30.04 Env_3kba_1 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 19 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 1 160 0 0 4 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 5 0 1 5 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 8 141 0 0 3 0 0 0 0 0 0 0 2 0 0 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 9 0 3 0 0 0 2 0 0 1 0 0 -0.5295 19 13 3 2 1 0 0 3 0 2 0 13 527.55 0 0 0 0 0 12 520 0 0 0 0 0 3 1 2 0 0 5 0 2 0 2 2 2 0 0 0 0 0 9 1 7 2 9 9 0 1 0 0 16 0 0 0 0 0 3 0 0 16 0 3 0 0 3 10 2 4 0 0 0 1 0 0 0 0 0 -0.5326 20 15 4 1 0 0 0 4 0 1 2 13 556.714 0 0 0 0 2 14 467 0 0 0 0 0 1 4 1 0 0 5 0 1 3 2 2 1 0 0 0 0 0 11 4 4 1 11 5 0 4 0 0 14 0 0 0 0 0 6 0 0 14 0 6 0 0 4 15 6 5 0 0 0 4 2 1 0 0 0 -6.1489 37 25 5 7 0 0 1 5 0 5 6 12 949.327 0.666 0.666 0 0.666 5 68 1266 0 1 0 0 0 4 7 1 0 0 8 0 1 7 1 1 3 2 0 1 0 0 18 8 10 1 20 9 1 7 0 0 24 0 0 0 0 0 13 0 0 24 0 13 0 0 # -7.99 -4.43 25.67 Env_3kba_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 28 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 1 151 0 0 1 0 0 0 0 0 0 0 4 0 0 0 0 1 0 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 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 5 100 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 3 0 1 0 3 1 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 4 9 0 3 0 0 0 2 0 0 0 0 0 -1.0346 18 13 3 2 0 0 0 3 0 2 0 13 501.029 0 0 0 0 -1 9 365 0 0 3 0 0 1 0 0 0 0 9 0 0 0 0 3 2 0 0 0 0 0 9 0 9 0 9 9 0 0 0 0 17 0 0 1 0 0 0 0 0 17 1 0 0 0 3 10 0 4 0 0 0 2 0 1 0 0 0 -2.4968 20 13 4 3 0 0 1 4 0 2 0 10 529.684 0 0 0 0 -1 22 408 1 0 4 0 0 3 0 2 0 0 7 0 0 0 0 1 2 0 0 0 0 0 8 0 10 2 8 12 0 0 0 0 18 0 0 1 0 0 1 0 0 18 1 1 0 0 3 13 6 2 0 0 1 4 0 0 0 0 0 -3.3825 29 22 3 4 0 0 0 2.5 0.5 4 7 10 777.731 0 0 0 0.5 10 47 645 3 0 0 0 0 2 1 1 1 0 10 0 0 7 0 2 2 0 0 0 0 0 20 1 7 1 20 7 1 1 0 0 16 0 0 8 0 0 5 0 0 16 8 5 0 0 # -8.61 -8.2 25.56 Env_3kba_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 25 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 1 164 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 1 1 0 0 0 0 4 0 2 0 5 1 0 0 0 0 5 0 0 0 1 0 0 0 0 5 1 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.5662 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 2 76 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 1 0 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 4 10 0 2 0 0 0 3 0 1 1 0 0 -1.7111 21 14 2 4 1 0 1 2 0 3 0 11 575.574 0 0 0 0 2 24 650 0 0 0 0 2 1 0 0 0 1 7 0 2 0 0 0 4 3 0 1 0 0 11 0 10 0 14 7 0 0 0 0 18 0 0 0 3 0 0 0 0 18 3 0 0 0 1 18 1 3 0 0 0 1 0 0 0 0 0 -3.1176 24 20 3 1 0 0 0 3 0 1 1 10 711.174 0 0 0 0 9 29 566 0 0 0 0 2 4 0 0 0 4 9 0 0 0 1 0 1 2 0 1 0 0 15 0 9 0 17 7 0 0 0 0 20 0 0 2 2 0 0 0 0 20 4 0 0 0 4 13 4 2 0 0 0 4 0 0 0 1 0 -2.2797 28 21 2 4 1 0 0.5 2 0 4 4 12 770.583 0 0 0 0 6 35 570 0 0 0 0 2 1 0 0 0 2 11 0 0 1 2 2 0 3 0 4 0 0 20 0 8 0 23 5 0 0 0 0 23 0 0 2 3 0 0 0 0 23 5 0 0 0 # 2.36 -16.58 24.71 Env_3kba_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 35 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 1 152 0 0 0 0 0 0 0 0 0 0 1 0 4 0 0 0 0 0 0 1 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 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 66 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 3 5 0 3 0 0 0 3 0 0 1 0 0 -1.4776 15 8 3 3 1 0 0 3 0 3 0 10 371.494 0 0 0 0 -2 13 190 0 0 0 0 0 1 0 1 0 0 3 0 3 1 0 2 0 1 0 3 0 0 10 0 4 1 11 4 0 0 0 0 15 0 0 0 0 0 0 0 0 15 0 0 0 0 4 12 0 3 1 0 0 2 0 0 0 0 0 -1.3841 22 16 4 2 0 0 0 3.5 0.5 2 0 13 613.057 0.333 0 0.333 0.333 1 20 239 0 1 0 0 0 3 0 2 0 0 4 0 2 3 0 3 0 1 0 3 0 0 12 1 7 2 13 8 1 0 0 0 21 0 0 0 1 0 0 0 0 21 1 0 0 0 3 12 6 3 1 0 1 3 0 0 1 0 0 -3.7874 30 21 5 3 1 0 0 3.5 1.5 3 6 10 790.78 0.666 0 0.666 0.666 5 57 367 0 2 0 0 0 4 0 2 0 0 6 0 3 2 0 2 0 8 0 1 0 0 12 2 14 2 20 8 2 0 0 0 29 0 0 0 1 0 0 0 0 29 1 0 0 0 # -0.02 -9.67 32.05 Env_3kba_5 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 1 111 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 52 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 9 3 3 0 0 1 1 0 0 0 0 0 -1.3914 19 14 4 1 0 0 0 3.5 0.5 1 4 8 510.773 0 0 0 0.5 4 28 267 0 0 0 0 0 0 0 0 1 0 1 0 5 0 0 5 0 6 0 1 0 0 7 0 12 0 13 5 1 0 0 0 17 0 0 0 2 0 0 0 0 17 2 0 0 0 2 8 7 1 0 0 1 2 0 1 1 0 0 -2.5327 23 17 2 3 1 0 1 1 1 2 8 8 616.187 0 0 0 0 4 46 247 0 0 0 0 0 0 0 0 2 0 3 0 3 0 0 3 0 6 1 5 0 0 11 0 12 0 17 4 2 0 0 0 22 0 0 0 1 0 0 0 0 22 1 0 0 0 5 12 1 3 0 0 1 6 0 1 0 0 0 -3.5742 29 18 4 7 0 0 1 3.5 0.5 6 2 17 732.918 0 0 0 0.5 -3 24 269 0 0 0 0 0 2 0 0 5 1 8 0 1 1 0 3 0 0 1 7 0 0 18 0 11 0 18 6 5 0 0 0 26 0 0 0 3 0 0 0 0 26 3 0 0 0 # 2.78 -6.5 29.11