# EXCLUDED_RESIDUES HETATM # PDBID_LIST 2i0e # POINT_FILE ./pocket_res_ptf/2i0e_PDS_A_901.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_2i0e_0 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 38 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 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 -0.1705 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 0 0 0 6 0 0 0 0 0 0 6 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 60 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 2 0 0 1 2 1 0 0 0 0 0 0 0 2 0 0 1 0 0 0 2 1 0 0 4 8 0 4 0 0 0 2 0 0 1 0 0 -0.9771 19 12 4 2 1 0 0 4 0 2 0 13 508.177 0 0 0 0 0 12 317 0 0 0 4 0 0 0 1 0 0 5 3 2 0 0 0 0 0 0 4 0 0 11 7 0 1 11 1 3 4 0 0 1 0 4 13 0 0 1 0 0 1 17 1 0 0 3 15 0 3 0 0 0 4 0 0 0 0 0 -3.351 25 18 3 4 0 0 0 3 0 4 0 13 678.636 0.333 0.333 0 0.333 4 26 258 0 0 2 3 0 0 0 2 1 4 8 3 0 0 0 0 0 0 0 2 0 0 14 6 3 2 14 4 4 3 0 3 5 0 2 10 0 0 5 0 0 8 12 5 0 0 7 13 1 5 0 0 1 4 2 0 0 0 0 -3.3057 33 21 6 6 0 0 0 5.5 0.5 5 2 20 862.235 0.666 0.666 0 1.166 -3 29 593 2 0 2 6 0 0 0 4 3 7 3 1 1 0 0 0 0 0 0 4 0 0 17 7 5 4 17 6 4 6 0 5 4 0 2 9 0 4 9 0 0 9 15 9 0 0 # 38.73 48.74 40.03 Env_2i0e_1 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 20 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 -0.4879 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 117 4 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 5 1 0 0 5 0 0 1 0 0 0 0 0 1 0 0 5 0 0 0 1 5 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 17 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 1 1 0 0 0 2 7 2 1 0 0 0 0 0 2 0 0 0 -0.9136 14 11 1 2 0 0 2 1 0 0 2 5 403.083 0 0 0 0 3 24 161 0 0 1 3 0 0 0 0 0 4 0 0 0 2 0 0 3 0 1 0 0 0 6 3 5 0 6 5 0 3 0 1 0 0 0 4 0 0 9 0 0 1 4 9 0 0 4 6 5 4 0 0 0 3 0 0 0 0 0 -2.4173 22 15 4 3 0 0 0 4 0 3 6 9 524.292 0.333 0.333 0 0.333 1 38 223 0 0 5 2 0 0 0 0 0 1 0 2 1 5 0 0 2 0 2 2 0 0 9 4 9 0 9 9 2 2 0 5 0 0 0 6 0 0 11 0 0 5 6 11 0 0 4 15 2 2 0 0 0 3 2 0 1 0 0 -4.2169 29 21 2 5 1 0 0 2 0 4 2 12 807.283 0.666 0.666 0 0.666 8 40 506 0 0 1 4 0 0 0 0 0 1 5 2 5 3 0 0 2 0 2 4 0 0 18 6 5 0 18 5 2 4 0 3 1 0 4 11 1 0 9 0 0 4 16 9 0 0 # 34.78 50.93 33.6 Env_2i0e_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 29 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 0.2306 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 130 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 4 0 0 5 1 0 0 5 0 1 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 -1.7956 4 2 0 2 0 0 0 0 0 2 0 2 90.008 0 0 0 0 0 4 71 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 3 0 0 3 1 0 0 3 0 1 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 2 9 0 4 0 0 0 2 0 0 0 0 0 -2.0462 17 11 4 2 0 0 0 4 0 2 0 11 448.146 0 0 0 0 0 8 285 0 0 0 0 0 0 0 2 0 0 2 7 5 0 0 0 0 0 0 1 0 0 8 7 0 2 8 2 7 0 0 0 0 0 0 17 0 0 0 0 0 0 17 0 0 0 6 13 2 4 0 0 0 1 0 0 1 0 0 0.4356 27 21 4 1 1 0 0 4 0 1 2 16 784.295 0 0 0 0 6 26 912 3 0 0 0 0 0 0 4 0 2 5 4 1 2 0 0 0 0 0 6 0 0 19 4 0 4 19 4 4 0 0 0 0 0 0 25 2 0 0 0 0 0 27 0 0 0 3 15 2 2 0 0 0 8 0 1 0 0 0 -5.8622 31 20 2 9 0 0 1 2 0 8 2 17 787.663 0 0 0 0 0 35 1183 1 0 0 0 0 0 0 2 0 5 3 5 3 5 0 1 0 0 0 6 0 0 23 5 1 2 23 3 5 0 0 0 0 0 0 27 4 0 0 0 0 0 31 0 0 0 # 38.42 62.35 32.68 Env_2i0e_3 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 67 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 0 1 0 0 0 0 0 1 0 0 0 2 1 0 2 0 0 0 1 0 0 0 0 0 -0.2389 6 3 2 1 0 0 0 2 0 1 0 5 140.298 0 0 0 0 -2 1 412 0 0 0 0 0 0 0 1 0 0 0 0 0 4 0 1 0 0 0 0 0 0 4 0 1 1 4 2 0 0 0 0 0 0 0 1 5 0 0 0 0 0 6 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 -0.8071 4 3 0 1 0 0 0 0 0 1 3 1 85.115 0 0 0 0 2 8 331 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 1 0 0 0 0 0 0 3 0 1 0 3 1 0 0 0 0 0 0 0 0 4 0 0 0 0 0 4 0 0 0 2 4 2 1 0 1 0 2 1 1 0 0 0 -2.3915 14 8 2 4 0 0 1 1 1 2.5 2 7 356.031 1.333 0.333 1 1.333 -3 23 835 0 0 0 1 0 0 0 5 0 0 0 2 0 2 0 4 0 0 0 0 0 0 2 3 4 5 2 9 2 1 0 0 0 0 0 7 6 0 1 0 0 0 13 1 0 0 1 5 1 2 0 0 0 0 3 0 0 0 0 -3.2957 12 7 2 3 0 0 0 2 0 1.5 1 3 285.335 1.332 1.332 0 1.332 0 28 339 0 0 0 2 0 0 2 2 0 0 1 3 0 1 0 0 0 0 0 1 0 0 3 7 0 2 3 2 3 4 0 0 2 0 0 7 1 0 2 0 0 2 8 2 0 0 3 8 0 2 0 0 0 4 0 0 0 0 0 -1.4376 17 11 2 4 0 0 0 2 0 4 0 12 429.929 0.333 0.333 0 0.333 -2 10 697 0 0 0 2 0 0 1 3 0 1 2 7 0 0 0 0 0 0 0 1 0 0 4 10 0 3 4 3 7 3 0 0 1 0 0 12 2 0 2 0 0 1 14 2 0 0 # 38.45 57.29 26.43