# EXCLUDED_RESIDUES HETATM # PDBID_LIST 2ayw # POINT_FILE ./pocket_res_ptf/2ayw_ONO_A_501.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_2ayw_0 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 0 0 0 0 1 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 0 188 0 0 0 1 0 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 0 4 0 1 0 0 0 0 0 0 4 0 1 0 0 0 4 1 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 0 133 0 0 0 0 0 1 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 0 0 0 0 1 0 0 0 0 0 1 0 0 0 4 5 1 3 0 0 1 2 0 0 0 0 0 -0.5786 16 10 4 2 0 0 0 3.5 0.5 2 2 12 414.089 0 0 0 0.5 -4 9 562 0 0 0 3 2 3 0 3 2 0 0 0 0 2 0 1 0 0 0 0 0 0 2 3 8 3 2 9 2 3 0 0 0 0 0 4 4 3 5 0 0 0 11 5 0 0 4 7 4 5 0 0 0 5 2 1 1 0 0 -4.7239 29 15 5 8 1 0 1.5 5 0 6 4 17 655.928 0.999 0.999 0 0.999 -11 29 702 0 0 1 4 5 1 0 2 3 0 0 0 0 2 0 5 0 4 2 0 0 0 2 4 21 2 6 16 3 4 0 0 0 0 0 11 6 5 7 0 0 0 22 7 0 0 5 11 1 4 0 0 1 3 0 1 2 0 0 -3.1408 28 17 5 4 2 0 2 4.5 0.5 3 3 13 716.535 0 0 0 0.5 -5 38 1041 0 0 4 0 6 3 0 4 4 1 0 0 0 1 0 0 0 1 3 1 0 0 3 0 21 4 4 20 4 0 0 1 0 0 0 10 4 1 12 0 0 1 15 12 0 0 # 22.92 19.35 23 Env_2ayw_1 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0249 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 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 1 0 0 0 -0.7083 7 3 2 2 0 0 1 2 0 1 0 5 157.455 0 0 0 0 -4 3 91 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 1 5 1 0 6 0 1 0 0 0 0 0 0 6 0 1 0 0 0 6 1 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 -1.1705 4 2 0 2 0 0 0 0 0 2 0 2 90.008 0 0 0 0 0 3 10 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 3 1 0 0 3 0 0 1 0 0 0 0 0 3 0 0 1 0 0 0 3 1 0 0 3 5 1 3 0 0 1 1 0 0 2 0 0 -0.8799 16 9 4 1 2 0 1 3.5 0.5 1 2 10 422.127 0 0 0 0.5 -5 15 205 0 0 0 3 2 0 0 6 2 0 0 0 0 0 0 0 0 0 0 3 0 0 3 3 4 6 3 8 2 3 0 3 0 0 0 5 4 0 4 0 0 3 9 4 0 0 6 8 1 3 0 0 1 6 0 0 0 0 0 -2.2722 25 15 4 6 0 0 0 3.5 0.5 6 2 19 608.242 0.333 0.333 0 0.833 -8 12 412 1 0 0 1 5 1 0 8 2 1 0 0 0 1 0 4 0 0 0 1 0 0 4 1 12 8 4 18 2 1 0 2 0 0 0 13 4 0 6 0 0 2 17 6 0 0 3 9 1 8 0 0 1 4 3 2 0 0 0 -6.9188 31 13 9 9 0 0 2 8.5 0.5 5.5 2 20 679.075 0.999 0.999 0 1.499 -17 23 651 2 0 0 3 7 3 0 2 2 4 0 0 0 1 1 5 0 1 0 0 0 0 8 3 18 2 9 17 2 3 0 4 0 0 0 14 3 0 10 0 0 4 17 10 0 0 # 21.97 15.08 26.14 Env_2ayw_2 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 73 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 1 0 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 1 298 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 6 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 2 0 0 0 1 1 0 1 0 0 0 -1.7028 5 2 1 2 0 0 1 0.5 0.5 1 3 1 89.888 0 0 0 0.5 -3 14 276 1 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 4 0 1 1 3 0 0 4 0 0 0 0 0 0 1 0 0 4 0 1 0 0 4 5 3 2 0 0 1 1 2 0 0 0 0 -1.6372 18 12 3 3 0 0 0 2.5 0.5 2 5 7 443.912 0.999 0.999 0 1.499 -2 32 475 6 0 0 3 3 0 0 0 2 0 0 0 0 0 0 0 0 0 4 0 0 0 6 3 9 0 6 7 2 3 0 8 0 0 0 0 0 0 10 0 0 8 0 10 0 0 1 4 2 0 0 0 0 2 0 0 1 0 0 -1.0407 10 7 0 2 1 0 0.5 0 0 2 2 5 270.101 0 0 0 0 1 10 680 1 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 1 1 8 0 1 8 0 1 0 2 0 0 0 0 0 0 8 0 0 2 0 8 0 0 1 9 2 2 0 0 0 2 0 1 2 0 0 -3.1158 19 12 2 3 2 0 1.5 2 0 2 2 7 497.719 0 0 0 0 2 25 559 1 0 0 3 1 0 0 0 0 1 1 0 3 0 0 5 0 0 2 2 0 0 8 3 8 0 8 8 0 3 0 0 0 0 0 7 4 0 8 0 0 0 11 8 0 0 # 17.44 16.85 32.82 Env_2ayw_3 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0031 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 133 0 0 0 0 0 1 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 0 0 0 0 1 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.2082 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 559 0 0 0 0 1 4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 1 0 6 0 0 0 0 0 0 0 0 5 0 1 0 0 0 5 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.6323 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 2 142 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 1 0 1 0 0 0 1 1 0 0 2 3 0 4 0 0 0 1 0 0 1 0 0 -1.7738 11 5 4 1 1 0 0.5 4 0 1 0 6 259.474 0 0 0 0 -6 14 479 0 0 1 1 4 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 10 0 1 0 0 0 0 0 0 5 0 6 0 0 0 5 6 0 0 4 6 1 1 0 0 0 1 1 1 1 0 0 -0.2468 16 11 1 3 1 0 1.5 1 0 1.5 1 8 432.136 0.666 0.666 0 0.666 -2 16 241 0 0 2 5 1 0 0 3 0 0 0 0 0 0 0 4 0 0 1 0 0 0 0 5 8 3 0 11 0 5 0 0 0 0 0 0 4 3 9 0 0 0 7 9 0 0 3 5 1 3 0 0 1 6 1 1 0 0 0 -5.6045 21 9 4 8 0 0 1 3.5 0.5 6.5 3 11 442.279 0.333 0.333 0 0.833 -10 30 645 0 0 4 2 1 0 0 3 1 1 0 0 0 1 0 4 0 0 3 1 0 0 3 2 13 3 3 15 1 2 0 1 0 0 0 2 1 4 13 0 0 1 7 13 0 0 # 25.94 19.84 25.25 Env_2ayw_4 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0428 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 1 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 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 -0.2837 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -3 1 176 0 0 0 0 4 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 6 0 0 6 0 0 0 0 0 0 0 0 1 0 5 0 0 0 1 5 0 0 0 0 0 0 0 0 0 1 1 0 2 0 0 -1.5853 4 0 0 2 2 0 1 0 0 1.5 0 1 78.673 0.333 0.333 0 0.333 -4 7 28 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 3 0 0 3 0 1 0 0 0 0 0 0 0 1 3 0 0 0 1 3 0 0 2 6 0 1 0 0 0 2 0 1 0 0 0 -0.7386 12 8 1 3 0 0 1 1 0 2 0 6 309.431 0.333 0.333 0 0.333 -2 8 580 0 0 1 2 1 4 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 2 10 0 0 10 0 2 0 0 0 0 0 0 4 1 7 0 0 0 5 7 0 0 6 11 0 6 0 0 0 2 3 0 0 0 0 -3.3758 28 17 6 5 0 0 0 6 0 3.5 0 19 706.96 1.332 1.332 0 1.332 -6 19 359 0 0 4 9 2 1 0 6 0 3 0 0 0 0 0 0 0 0 0 3 0 0 6 9 7 6 6 13 0 9 0 0 0 0 8 1 4 5 10 0 0 0 18 10 0 0 5 9 0 7 0 0 0 8 0 2 0 0 0 -6.251 31 14 7 10 0 0 2 7 0 8 0 18 689.087 0 0 0 0 -12 35 816 1 0 3 4 2 3 0 4 0 4 0 1 0 0 0 3 2 0 1 3 0 0 8 5 14 4 8 18 1 4 0 0 0 0 4 2 7 6 12 0 0 0 19 12 0 0 # 28.65 17.31 24.45